A0A087XXM4_POEFO Loading...

Signal-induced proliferation-associated 1

AlphaFold DB , UniProt , Accession A0A087XXM4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,267 aa.

						>A0A087XXM4_POEFO|A0A087XXM4
MQSDDLFIRKFRRQNMRPPLATVNFDPKREAGVVEWPPRRPGDGADADCSLTPSRVGLNLRSVGRGHIMQRSNSDVTLGDLDSSGKTSGKVIRAAGEKTGTGPQGDSGVHLHREYGSLSSLERQTQGQEPSGENHGPLSPNALRFKDPFLLLGLEGNLPEPDGFFRDLSRSVGDSPKPAKPPKPEGLSKKSKLTPPQIPQPGPYDHLGGGAWVRNFAHYDVQSILFDLTEVATNRDSIGRKKNITSGASAASQLRPLAQTTPASPAQGGGGSGGNADDQEQSLLDEGDGNDNELLLSCPHFRNETGGEEQVGLGRSACRTELCSTLRTPNDAVSVLEEPRESNIQLQGKSNYFIEHADLGAHYYRKYFYLKEHQNFFGIDDRLGPVAISFRRDEKEGSSGAQYNYRIIFRTTEMKTLRGSILEESVPSAARHTTPRGLSPKRLLEFIMPELNLHCLRLASNSPKVRDTLLKLDEQGLNFQRKVGVMYCRAGQSSEEDMYNNESSGPAFEEFLDLLGERVRLKGWEKYRAQLDNKTDSTGTHSLYTRYQDYEIMFHVSTMLPYTANNTQQLLRKRHIGNDIVTIVFQEPGALPFTPKSIRSHFQHVFIIVQVHEPGTDHAYYRVAVTRSKDIPLFGPLFPRGARFPRSPAFRDYLLAKVVNAENAAEKSEKFRSMATRTRQEYLKDLAENYVTTTPIDSSTKFPLLSLGSKRKDKMKGAKGAELHSAGALVWAVMVSCRDDSEAGEQQKFPCLLGVSAESVVLIERGSRRVVFNCSCRDVIGWKAVTETKDGGPCLDIFYERGESVSISMLESQTEDIKEVVQRLELVTRGCEALEVTPLRDGVGQPGFLMNEEGFVTDLQRFCYAESGGLQLWARVVRLCGHSLVHLSPEERSRLLRTAHKIHITVIPPDENGKPRRSFSELYQKAIKDAECKSGEDKSGVAWVVDEREDEREEQEQKVEEEQLKADRVDEEEEDQLAEDELKMDGGGGQNEESPGPLLTLPALPLLRATSLQDQPANKSEEISISQLTRSVSLEKQLSYTDTCDEHVYDNVMMKEKRHIYENVGELRDATPDLILAVKPKVPPEDEQFMAADFGEDKASASDSSLSSSRLSSVDRAERNSRALSLHNSITKILSETTDSTDEEWQSIADLATACRSILEALSKEDRKAGDSSQGGADQTDGKLKDSKDSDSPGHLEEKVSQLEAMLKKLQDDLQKWAHKEKEDKAVLQAEVQSLRQNNQRLQEESQSTVARLIKVTELLCNVNKPC
					

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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	27.1	Very low	32.1	Very low	244 Å²	244	168.8 Å²	168.8	100%	1.202	82%	0.815	S	S	*	*				0	147.8	0	-76.3	154	58.2	0	0	107.7
2	Q	31.5	Very low	32.2	Very low	181 Å²	181	174.5 Å²	174.5	85%	0.846	82%	0.822	S	S	*	*			trans	-90.2	131.4	177	-59.3	149.1	-33.6	0	0	109.3
3	S	32.8	Very low	32.1	Very low	96 Å²	96	179.7 Å²	179.7	67%	0.671	83%	0.829	S	S	*	*			trans	-174.9	83.4	159.2	55.5	0	0	0	0	113.9
4	D	31	Very low	31.9	Very low	154 Å²	154	180.6 Å²	180.6	82%	0.824	83%	0.834	S	S	*	*			trans	-135.6	-3.9	158.7	-87.2	-54.6	0	0	0	114	L6	D4-L6 PolarHBondContact O-N 3.41Å
5	D	34.2	Very low	31.6	Very low	124 Å²	124	180.1 Å²	180.1	66%	0.663	84%	0.84	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	19.8	178.7	-163.9	47.3	0	0	0	114.5	R9	D5-R9 PolarHBondContact O-NH1 2.74Å; D5-R9 IonicContact OD1-NH1 3.99Å; D5-R9 IonicContact OD2-CZ 3.72Å; D5-R9 IonicContact OD2-NH1 2.75Å; D5-R9 PolarHBondContact OD2-NH1 3.32Å; D5-R9 IonicContact OD2-NH2 3.8Å
6	L	33.5	Very low	31.5	Very low	140 Å²	140	180.3 Å²	180.3	73%	0.733	84%	0.844	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-23	-178.1	-88.1	166.2	0	0	0	113.9	D4	D4-L6 PolarHBondContact O-N 3.41Å
7	F	33.8	Very low	31.3	Very low	186 Å²	186	183.9 Å²	183.9	82%	0.816	85%	0.848	S	S	*	*	S	Bend	trans	-73.3	-36.7	-171.4	-136.7	-96.8	0	0	0	113.2
8	I	34.3	Very low	31.2	Very low	159 Å²	159	179.9 Å²	179.9	82%	0.815	84%	0.841	S	S	*	*	G	3₁₀ helix	trans	-81.1	-22.5	-173.4	-67.4	-179	0	0	0	113.5	K10	I8-K10 VanDerWaalsContact C-N 3.26Å; I8-K10 PolarHBondContact O-N 3.28Å
9	R	34	Very low	32.1	Very low	182 Å²	182	176.6 Å²	176.6	69%	0.687	84%	0.837	S	S	*	*	G	3₁₀ helix	trans	-73.1	-11.4	178.9	-76.2	-170.9	177.4	96.7	-1.2	114.5	D5	D5-R9 PolarHBondContact O-NH1 2.74Å; D5-R9 IonicContact OD1-NH1 3.99Å; D5-R9 IonicContact OD2-CZ 3.72Å; D5-R9 IonicContact OD2-NH1 2.75Å; D5-R9 PolarHBondContact OD2-NH1 3.32Å; D5-R9 IonicContact OD2-NH2 3.8Å
10	K	30.5	Very low	32	Very low	190 Å²	190	176.3 Å²	176.3	83%	0.826	84%	0.84	S	S	*	*	G	3₁₀ helix	trans	-80.7	-16.8	-172.2	-146.8	173.4	-175.5	-179	0	114.8	I8	I8-K10 VanDerWaalsContact C-N 3.26Å; I8-K10 PolarHBondContact O-N 3.28Å
11	F	30.2	Very low	31.8	Very low	201 Å²	201	171.6 Å²	171.6	88%	0.882	83%	0.83	S	S	*	*	G	3₁₀ helix	trans	-96.1	12.3	-170.3	-118.4	-79.6	0	0	0	116.4
12	R	33.2	Very low	31.9	Very low	237 Å²	237	166.4 Å²	166.4	89%	0.894	81%	0.812	S	S	*	*	S	Bend	trans	-126.6	24.6	-175.9	-89.8	-168.4	176.8	-170.9	1.2	116.1
13	R	31	Very low	31.8	Very low	242 Å²	242	163.4 Å²	163.4	91%	0.913	81%	0.806	S	S	*	*			trans	-139.8	54.8	176.6	-75.6	-163.6	174.5	-165.5	0	115.6
14	Q	29.4	Very low	31.5	Very low	192 Å²	192	165.8 Å²	165.8	90%	0.897	81%	0.811	S	S	*	*			trans	-137.6	99.9	149.9	-74.4	-161.4	-2.6	0	0	110.7
15	N	28.3	Very low	31.3	Very low	174 Å²	174	166.9 Å²	166.9	93%	0.93	81%	0.809	S	S	*	*			trans	-152.6	117.2	157.8	-119	-28.2	0	0	0	106.9
16	M	29.3	Very low	30.9	Very low	182 Å²	182	167.8 Å²	167.8	90%	0.897	81%	0.814	S	S	*	*			trans	-87.9	141.5	-171.3	-74.4	-82.1	-169.8	0	0	111.7
17	R	27.4	Very low	31.9	Very low	242 Å²	242	165.2 Å²	165.2	91%	0.913	81%	0.806	S	S	*	*			trans	-163.2	168	154.2	-107	169.6	-169.1	-157.1	1.1	110
18	P	30.2	Very low	31.6	Very low	113 Å²	113	165.4 Å²	165.4	73%	0.734	81%	0.806	S	S	*	*				-94.2	169	-123.3	37	-40.1	0	0	0	116.3
19	P	48.1	Very low	31.3	Very low	117 Å²	117	168.6 Å²	168.6	76%	0.76	81%	0.808	S	S	*	*			trans	-87.7	-171.2	-178.7	38	-38.9	0	0	0	114.3
20	L	30.1	Very low	31.1	Very low	170 Å²	170	168.3 Å²	168.3	89%	0.89	81%	0.814	S	S	*	*			trans	101.3	138.8	-177.2	-60	167.3	0	0	0	113.5
21	A	28.9	Very low	31.1	Very low	77 Å²	77	164.3 Å²	164.3	64%	0.636	82%	0.817	S	S	*	*			cis	-165.8	167.1	-18.2	0	0	0	0	0	111.6
22	T	28.8	Very low	31	Very low	135 Å²	135	157.9 Å²	157.9	83%	0.828	81%	0.807	S	S	*	*			trans	68.2	94.4	155.2	9.9	0	0	0	0	121.8
23	V	29.5	Very low	30.8	Very low	119 Å²	119	153.2 Å²	153.2	72%	0.721	81%	0.805	S	S	*	*			trans	-10.8	138.3	131	-170.3	0	0	0	0	117.9
24	N	25.9	Very low	30.8	Very low	145 Å²	145	147.6 Å²	147.6	78%	0.775	80%	0.797	S	S	*	*				-172.9	150.9	128.2	-98.2	-10.8	0	0	0	117.5
25	F	26.6	Very low	30.6	Very low	178 Å²	178	146.5 Å²	146.5	78%	0.781	79%	0.792	S	S	*	*			trans	-40.4	134.3	-178.6	-59.8	-99.3	0	0	0	120.9
26	D	26.6	Very low	30.4	Very low	142 Å²	142	149.4 Å²	149.4	76%	0.759	79%	0.79	S	S	*	*				36.5	160.8	85.3	-147.4	45.6	0	0	0	119.9
27	P	54.5	Low	31.2	Very low	87 Å²	87	145.6 Å²	145.6	57%	0.565	78%	0.779	S	S	*	*			cis	-127.4	175.6	-31	27.6	-8.3	0	0	0	114.8
28	K	27.8	Very low	32.2	Very low	190 Å²	190	139.3 Å²	139.3	83%	0.826	77%	0.77	S	S	*	*			trans	152.8	152.7	143.5	-85.5	156.3	-172.8	163.5	0	111.8
29	R	27.5	Very low	32.4	Very low	225 Å²	225	145.4 Å²	145.4	85%	0.849	78%	0.778	S	S	*	*			cis	-150.7	167.4	7.3	-143.9	174	-175.9	171.2	-0.4	111.8
30	E	29.7	Very low	31.5	Very low	176 Å²	176	151.5 Å²	151.5	82%	0.822	79%	0.786	S	S	*	*			trans	-98	162.6	-170.3	-42.1	123.1	105	0	0	116.5
31	A	29.3	Very low	32.4	Very low	107 Å²	107	149.7 Å²	149.7	88%	0.884	78%	0.784	S	S	*	*				-179.2	138.3	127.4	0	0	0	0	0	109.7
32	G	28.1	Very low	32.4	Very low	65 Å²	65	149.5 Å²	149.5	67%	0.67	79%	0.79	S	S	*	*			cis	-156.6	151.3	-10.5	0	0	0	0	0	108.8
33	V	30	Very low	32.4	Very low	140 Å²	140	151.5 Å²	151.5	85%	0.848	80%	0.796	S	S	*	*				72.1	129.2	66.7	170.7	0	0	0	0	112.2
34	V	31	Very low	32.4	Very low	124 Å²	124	149.6 Å²	149.6	75%	0.752	80%	0.8	S	S	*	*			cis	-163.2	167.9	-20.7	91.8	0	0	0	0	106.7
35	E	25.2	Very low	32.6	Very low	169 Å²	169	146.7 Å²	146.7	79%	0.79	80%	0.796	S	S	*	*				173.9	165.1	89	-164.1	155.8	-151.4	0	0	113.8
36	W	24.6	Very low	32.6	Very low	234 Å²	234	145.9 Å²	145.9	89%	0.886	80%	0.8	S	S	*	*			trans	-100.3	-140.5	176.6	-93.7	87.3	0	0	0	108.7
37	P	46.4	Very low	32.7	Very low	102 Å²	102	143 Å²	143	66%	0.662	80%	0.795	S	S	*	*			cis	-134.3	-140.6	-5	35.5	-7.6	0	0	0	114.4
38	P	48.5	Very low	31.4	Very low	111 Å²	111	145.8 Å²	145.8	72%	0.721	81%	0.806	S	S	*	*				-132.6	-172.7	-95.2	44.1	-27.3	0	0	0	116
39	R	32.5	Very low	31.2	Very low	240 Å²	240	142.1 Å²	142.1	91%	0.906	80%	0.803	S	S	*	*			trans	-77.9	156.4	166.3	-65.2	-179.6	175	-176.1	-2.1	113.1
40	R	30.7	Very low	31.1	Very low	245 Å²	245	136.1 Å²	136.1	93%	0.925	80%	0.795	S	S	*	*			trans	-148.7	162.2	146.5	-80.7	-154.4	-166.5	-169.8	7.9	111.8
41	P	47.9	Very low	31	Very low	132 Å²	132	135.3 Å²	135.3	86%	0.857	80%	0.796	S	S	*	*			trans	-110.7	173.2	-175.4	41.6	-33.3	0	0	0	114.4
42	G	28.7	Very low	31.1	Very low	74 Å²	74	136.1 Å²	136.1	76%	0.763	79%	0.79	S	S	*	*			trans	176.3	155.7	168.6	0	0	0	0	0	114
43	D	29.4	Very low	31.6	Very low	177 Å²	177	138.6 Å²	138.6	95%	0.947	79%	0.794	S	S	*	*			trans	-68.5	169.6	-177.9	-51.5	-79.5	0	0	0	115.1
44	G	28.7	Very low	31.5	Very low	79 Å²	79	136.5 Å²	136.5	81%	0.814	79%	0.786	S	S	*	*			trans	163.6	124.3	161.3	0	0	0	0	0	114.6
45	A	30	Very low	31.5	Very low	83 Å²	83	141.5 Å²	141.5	69%	0.686	79%	0.791	S	S	*	*			trans	-88.9	174.7	177.2	0	0	0	0	0	112.8
46	D	28.2	Very low	31.6	Very low	162 Å²	162	139.3 Å²	139.3	87%	0.866	79%	0.789	S	S	*	*			trans	60.2	151.8	159.3	-53.4	-31.4	0	0	0	118.1
47	A	28.1	Very low	31.7	Very low	80 Å²	80	131.2 Å²	131.2	66%	0.661	78%	0.778	S	S	*	*			cis	176.4	165.5	-23	0	0	0	0	0	105.2
48	D	26.6	Very low	30.8	Very low	146 Å²	146	133.4 Å²	133.4	78%	0.781	78%	0.783	S	S	*	*			trans	63.9	126.7	161.7	-86.5	-43.2	0	0	0	122.7
49	C	24.8	Very low	29.7	Very low	114 Å²	114	134.3 Å²	134.3	77%	0.77	78%	0.782	S	S	*	*			trans	60.2	142.1	136.9	-67.7	0	0	0	0	120.4
50	S	25.3	Very low	29.6	Very low	99 Å²	99	130.5 Å²	130.5	69%	0.692	78%	0.779	S	S	*	*			cis	-164.2	166.8	-4.1	49.1	0	0	0	0	106.7
51	L	27.7	Very low	29.4	Very low	158 Å²	158	130.6 Å²	130.6	83%	0.827	78%	0.779	S	S	*	*			cis	-158.6	156.1	47.9	-76.4	161.7	0	0	0	110.7
52	T	31.3	Very low	28.3	Very low	125 Å²	125	129.3 Å²	129.3	77%	0.767	77%	0.773	S	S	*	*			trans	-103.1	161.3	153.6	62.5	0	0	0	0	109.3
53	P	38.4	Very low	28.2	Very low	117 Å²	117	132.3 Å²	132.3	76%	0.76	78%	0.777	S	S	*	*				-131.8	152.6	92.6	40.3	-30.6	0	0	0	111.5
54	S	28.3	Very low	28	Very low	95 Å²	95	127.6 Å²	127.6	66%	0.664	77%	0.77	S	S	*	*			cis	64.3	137.9	48.9	-155	0	0	0	0	110.8
55	R	29.8	Very low	28	Very low	230 Å²	230	134 Å²	134	87%	0.868	77%	0.769	S	S	*	*			cis	-150.3	172.7	17.7	-140.3	167.6	-170.3	162.6	1.4	105.8
56	V	27.9	Very low	27.8	Very low	123 Å²	123	133.7 Å²	133.7	75%	0.745	77%	0.774	S	S	*	*			cis	-138.9	171	17.1	-164.9	0	0	0	0	104.9
57	G	27.6	Very low	27.6	Very low	63 Å²	63	131.3 Å²	131.3	65%	0.649	76%	0.757	S	S	*	*			cis	90.5	137.6	29.9	0	0	0	0	0	110.8
58	L	27.3	Very low	28.3	Very low	148 Å²	148	133.8 Å²	133.8	78%	0.775	76%	0.758	S	S	*	*			cis	-151.2	144.1	17.2	-78.3	164.5	0	0	0	113.3
59	N	25.2	Very low	28.2	Very low	131 Å²	131	134.7 Å²	134.7	70%	0.701	76%	0.759	S	S	*	*			trans	32.5	117.1	131.8	-59.2	-5.5	0	0	0	120
60	L	30.8	Very low	28.7	Very low	160 Å²	160	137.7 Å²	137.7	84%	0.838	76%	0.762	S	S	*	*				76.5	118.1	76.4	-90.8	164.6	0	0	0	116.1
61	R	25.3	Very low	28.7	Very low	247 Å²	247	141 Å²	141	93%	0.932	76%	0.759	S	S	*	*			trans	-137.5	142	144.3	-91.7	-163	176.7	-150.6	0.6	110.6
62	S	25.3	Very low	28.6	Very low	104 Å²	104	138.3 Å²	138.3	73%	0.727	75%	0.754	S	S	*	*			trans	-94.3	-179.4	163.1	54.7	0	0	0	0	109
63	V	26.1	Very low	28.3	Very low	138 Å²	138	139 Å²	139	84%	0.836	75%	0.753	S	S	*	*			cis	-140.9	154.8	10.4	-175.5	0	0	0	0	107.7
64	G	24.9	Very low	27.8	Very low	78 Å²	78	137.9 Å²	137.9	80%	0.804	75%	0.748	S	S	*	*			trans	-172.8	73	171.5	0	0	0	0	0	115
65	R	28.7	Very low	27.7	Very low	214 Å²	214	140.7 Å²	140.7	81%	0.808	76%	0.755	S	S	*	*			trans	-78.3	126.9	170.3	-108.3	-173	177.1	-128.3	7.9	109.8	H67	R65-H67 PolarHBondContact NH1-NE2 3.33Å
66	G	25.5	Very low	27.4	Very low	75 Å²	75	136.8 Å²	136.8	77%	0.773	76%	0.757	S	S	*	*			trans	-133.5	134.2	164.1	0	0	0	0	0	109.2
67	H	25.8	Very low	27.3	Very low	112 Å²	112	137 Å²	137	52%	0.519	76%	0.758	S	S	.	*			trans	-89.2	149	-170.5	-109.5	-85.8	0	0	0	113.6	R65	R65-H67 PolarHBondContact NH1-NE2 3.33Å
68	I	40.8	Very low	27.3	Very low	133 Å²	133	142.3 Å²	142.3	68%	0.682	77%	0.771	S	S	*	*			trans	-59.9	144.8	166.5	-65.5	161.2	0	0	0	110.7	Q70	I68-Q70 HydrophobicContact CG2-CG 4.45Å
69	M	26.3	Very low	27.2	Very low	164 Å²	164	138.7 Å²	138.7	81%	0.808	77%	0.769	S	S	*	*			trans	-132.8	119.9	151.3	-82.6	-176.2	62.6	0	0	111.3
70	Q	35.3	Very low	27.2	Very low	177 Å²	177	140 Å²	140	83%	0.827	78%	0.776	S	S	*	*			trans	-105.7	117.4	160.9	-71.4	176.4	-86.4	0	0	108.9	I68	I68-Q70 HydrophobicContact CG2-CG 4.45Å
71	R	25	Very low	27.1	Very low	169 Å²	169	140.3 Å²	140.3	64%	0.638	78%	0.778	S	S	*	*			trans	-149.5	131	148.1	-67.6	-163.8	-176	-110.3	-1.1	105.2	N1239	R71-N1239 VanDerWaalsContact CZ-OD1 3.28Å; R71-N1239 PolarHBondContact NE-OD1 3.04Å; R71-N1239 PolarHBondContact NH2-OD1 3.13Å
72	S	25.1	Very low	27	Very low	101 Å²	101	135.9 Å²	135.9	71%	0.706	77%	0.773	S	S	*	*				95.9	126.9	54.7	-153.6	0	0	0	0	111.3
73	N	24.1	Very low	27.2	Very low	141 Å²	141	136.5 Å²	136.5	75%	0.754	78%	0.777	S	S	*	*			trans	83.7	144.5	165.5	-54.4	10.9	0	0	0	119.4
74	S	29	Very low	27.2	Very low	92 Å²	92	135.3 Å²	135.3	64%	0.643	78%	0.775	S	S	*	*			trans	38.2	133.7	143.7	57.5	0	0	0	0	122.4
75	D	25.6	Very low	27.2	Very low	155 Å²	155	135.2 Å²	135.2	83%	0.829	77%	0.774	S	S	*	*			trans	59.6	115.4	143.8	-50.8	-18.6	0	0	0	119.3
76	V	23.7	Very low	27.2	Very low	148 Å²	148	134 Å²	134	90%	0.897	77%	0.774	S	S	*	*			trans	-129.3	113.5	157.2	172.6	0	0	0	0	107.2
77	T	27	Very low	27.2	Very low	127 Å²	127	137 Å²	137	78%	0.779	78%	0.779	S	S	*	*			trans	-68.5	169.1	168.2	43.3	0	0	0	0	111.3	G79	T77-G79 PolarHBondContact O-N 3.49Å
78	L	25.8	Very low	27.1	Very low	175 Å²	175	137.3 Å²	137.3	92%	0.916	79%	0.793	S	S	*	*			trans	-47.4	139.8	168.9	-67.6	162.6	0	0	0	111.2
79	G	26.1	Very low	26.3	Very low	72 Å²	72	134.5 Å²	134.5	74%	0.742	80%	0.797	S	S	*	*			trans	-124.5	112.7	169.2	0	0	0	0	0	109.4	T77	T77-G79 PolarHBondContact O-N 3.49Å
80	D	25.8	Very low	26.3	Very low	157 Å²	157	135.6 Å²	135.6	84%	0.84	80%	0.797	S	S	*	*			trans	-67.8	152.7	166.2	-68.2	-64	0	0	0	110.4
81	L	27.6	Very low	25.9	Very low	168 Å²	168	133.2 Å²	133.2	88%	0.88	79%	0.794	S	S	*	*			trans	-152.1	106.5	171.6	-129	168.7	0	0	0	110.4
82	D	24.3	Very low	25.9	Very low	153 Å²	153	132.4 Å²	132.4	82%	0.818	80%	0.801	S	S	*	*			trans	-63.5	146.7	-178.5	-84.1	-73.9	0	0	0	114.1
83	S	28.5	Very low	25.9	Very low	118 Å²	118	139 Å²	139	83%	0.825	81%	0.81	S	S	*	*			trans	-144.5	82.1	162.9	60.9	0	0	0	0	110.8
84	S	25.6	Very low	26	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	81%	0.808	S	S	*	*			trans	-69.3	128.6	-178.8	81.5	0	0	0	0	112.6
85	G	25.8	Very low	25.8	Very low	76 Å²	76	137.3 Å²	137.3	78%	0.784	82%	0.821	S	S	*	*			trans	-141.6	93.1	-179.7	0	0	0	0	0	112.1
86	K	27.8	Very low	25.8	Very low	187 Å²	187	133 Å²	133	81%	0.813	81%	0.814	S	S	*	*			trans	-69.2	145.5	-170.9	-64.5	169.2	178.8	167.9	0	113.9
87	T	25.4	Very low	25.9	Very low	140 Å²	140	133.9 Å²	133.9	86%	0.859	81%	0.809	S	S	*	*			trans	125.4	146.4	135.3	60.6	0	0	0	0	115.3
88	S	23.8	Very low	25.9	Very low	117 Å²	117	134.9 Å²	134.9	82%	0.818	80%	0.802	S	S	*	*			cis	-173	145	-19.7	176.1	0	0	0	0	108.9
89	G	25.5	Very low	25.8	Very low	74 Å²	74	132.9 Å²	132.9	76%	0.763	80%	0.798	S	S	*	*			trans	162.8	62.5	174.7	0	0	0	0	0	120.2
90	K	26.1	Very low	25.7	Very low	188 Å²	188	132.7 Å²	132.7	82%	0.817	80%	0.796	S	S	*	*			trans	9.8	127.7	141.5	-76.9	-176.4	173.6	-178.4	0	120.6
91	V	26	Very low	25.7	Very low	126 Å²	126	132.5 Å²	132.5	76%	0.764	80%	0.8	S	S	*	*				77.9	126	74.4	167.3	0	0	0	0	112.2
92	I	25.6	Very low	25.4	Very low	152 Å²	152	127.9 Å²	127.9	78%	0.779	79%	0.793	S	S	*	*				-156.2	136.7	75.4	-32.4	-168.1	0	0	0	108.7
93	R	25.1	Very low	25.9	Very low	239 Å²	239	125.9 Å²	125.9	90%	0.902	79%	0.788	S	S	*	*				55.2	144.5	73	-98.4	-171.3	-178.3	177.5	1.4	115
94	A	25.8	Very low	25.9	Very low	87 Å²	87	129.5 Å²	129.5	72%	0.719	79%	0.792	S	S	*	*			cis	-166.8	168.6	0.9	0	0	0	0	0	113.9
95	A	24.7	Very low	25.9	Very low	111 Å²	111	127.3 Å²	127.3	92%	0.917	79%	0.788	S	S	*	*			trans	63.6	155.9	155.2	0	0	0	0	0	120.6
96	G	25.3	Very low	26	Very low	66 Å²	66	131.3 Å²	131.3	68%	0.68	79%	0.791	S	S	*	*			cis	162.4	154.4	-10.5	0	0	0	0	0	114.9
97	E	25.9	Very low	26	Very low	166 Å²	166	127.3 Å²	127.3	78%	0.776	79%	0.787	S	S	*	*			trans	69.9	159.7	174	-51.7	-162.4	113.4	0	0	117.6
98	K	28	Very low	26	Very low	147 Å²	147	124.4 Å²	124.4	64%	0.639	78%	0.784	S	S	*	*			cis	-161.7	141.4	7.9	-137	154.7	-169.5	148.4	0	115.5
99	T	23.8	Very low	26.2	Very low	134 Å²	134	124.3 Å²	124.3	82%	0.822	78%	0.779	S	S	*	*			trans	54.9	133.8	144.1	49	0	0	0	0	126.8
100	G	23.6	Very low	26.1	Very low	68 Å²	68	130.1 Å²	130.1	70%	0.701	79%	0.786	S	S	*	*			trans	106.3	142.1	147.6	0	0	0	0	0	116.6
101	T	24.6	Very low	26.1	Very low	153 Å²	153	127.6 Å²	127.6	94%	0.939	78%	0.78	S	S	*	*			cis	-159.5	164.5	-7	-4.4	0	0	0	0	110
102	G	22.8	Very low	26	Very low	71 Å²	71	129.8 Å²	129.8	73%	0.732	78%	0.782	S	S	*	*			trans	-80.2	-161.2	-178.7	0	0	0	0	0	115.9
103	P	34.4	Very low	26.2	Very low	110 Å²	110	133.1 Å²	133.1	71%	0.714	78%	0.784	S	S	*	*			cis	-143.9	177.2	33.5	43.9	-25.6	0	0	0	118.5
104	Q	28	Very low	26.2	Very low	195 Å²	195	130.3 Å²	130.3	91%	0.911	78%	0.781	S	S	*	*			trans	41.3	145.6	146.2	-69.9	170	-42.4	0	0	122.1
105	G	26.5	Very low	26.4	Very low	67 Å²	67	136.8 Å²	136.8	69%	0.691	79%	0.789	S	S	*	*			cis	-166.6	153.8	1.3	0	0	0	0	0	110
106	D	26.8	Very low	26.5	Very low	159 Å²	159	134.9 Å²	134.9	85%	0.85	78%	0.78	S	S	*	*				88.2	128.6	72.7	-172.1	54.8	0	0	0	112.6
107	S	27.7	Very low	26.6	Very low	104 Å²	104	137.6 Å²	137.6	73%	0.727	79%	0.789	S	S	*	*			cis	-157.9	169.8	-30.6	49.8	0	0	0	0	110.2
108	G	25.8	Very low	26.6	Very low	78 Å²	78	138.1 Å²	138.1	80%	0.804	80%	0.796	S	S	*	*			trans	-174.2	104.6	175.3	0	0	0	0	0	112.2
109	V	27.6	Very low	26.4	Very low	116 Å²	116	136.2 Å²	136.2	70%	0.703	80%	0.801	S	S	*	*			trans	-114.9	132.1	-170.3	175.5	0	0	0	0	110.9
110	H	23.7	Very low	26.6	Very low	196 Å²	196	135.9 Å²	135.9	91%	0.907	80%	0.804	S	S	*	*			trans	-148	133.7	146.5	-108.4	-75.6	0	0	0	112.6
111	L	26.3	Very low	26.6	Very low	134 Å²	134	141 Å²	141	70%	0.702	82%	0.815	S	S	*	*			trans	-69	151.2	-159.6	-60.1	157.9	0	0	0	116.3
112	H	25	Very low	26.8	Very low	173 Å²	173	142.4 Å²	142.4	80%	0.801	81%	0.811	S	S	*	*			trans	21.4	150.2	138.4	-68.7	-68.4	0	0	0	120.9
113	R	28.2	Very low	27	Very low	221 Å²	221	150.1 Å²	150.1	83%	0.834	82%	0.818	S	S	*	*			cis	-164.4	145.9	47.8	-163.6	174.9	-169.3	147.4	0.5	112.8
114	E	26.6	Very low	26.6	Very low	180 Å²	180	153.9 Å²	153.9	84%	0.841	83%	0.826	S	S	*	*			trans	-102.2	156	177.7	-60.7	174.6	142	0	0	112
115	Y	30	Very low	26.5	Very low	223 Å²	223	151.4 Å²	151.4	88%	0.875	82%	0.824	S	S	*	*			trans	-120.9	117.1	164.9	-98.1	-87.5	0	0	0	109
116	G	26.7	Very low	26.4	Very low	71 Å²	71	157.2 Å²	157.2	73%	0.732	83%	0.833	S	S	*	*			trans	-91.2	147.9	-176.8	0	0	0	0	0	113.7
117	S	26.5	Very low	26.3	Very low	124 Å²	124	153 Å²	153	87%	0.867	83%	0.827	S	S	*	*			trans	-89.3	133.9	159.2	-68.9	0	0	0	0	109.4
118	L	25.3	Very low	26.2	Very low	177 Å²	177	157.2 Å²	157.2	93%	0.927	84%	0.836	S	S	*	*			trans	-103.8	104.4	-179	-71.1	176.8	0	0	0	111.8
119	S	25.3	Very low	26.3	Very low	107 Å²	107	162.3 Å²	162.3	75%	0.748	84%	0.838	S	S	*	*			trans	-158.1	138.6	160	54.8	0	0	0	0	109.9
120	S	28.1	Very low	26.3	Very low	127 Å²	127	162.8 Å²	162.8	89%	0.888	84%	0.844	S	S	*	*			trans	68.2	85.7	-177	-58.5	0	0	0	0	116.3
121	L	24	Very low	26.3	Very low	175 Å²	175	159.4 Å²	159.4	92%	0.916	84%	0.842	S	S	*	*			trans	-86.3	113.1	157.2	173.4	68.4	0	0	0	109
122	E	28	Very low	26.4	Very low	183 Å²	183	156.2 Å²	156.2	86%	0.855	84%	0.842	S	S	*	*			trans	-128.5	149.6	164.4	-168.6	165.6	-144.5	0	0	110.2	Q124	E122-Q124 PolarHBondContact O-N 3.44Å
123	R	27	Very low	26.5	Very low	233 Å²	233	155.9 Å²	155.9	88%	0.879	84%	0.841	S	S	*	*			trans	-78.6	114.6	-164.2	-61.4	178.5	-175.8	172.8	2.3	112.2
124	Q	26.3	Very low	26.4	Very low	189 Å²	189	152.5 Å²	152.5	88%	0.883	84%	0.839	S	S	*	*			trans	-70.5	138.6	158.1	-74.2	-172.6	-14.1	0	0	110.6	E122	E122-Q124 PolarHBondContact O-N 3.44Å
125	T	24.8	Very low	26.4	Very low	143 Å²	143	151.6 Å²	151.6	88%	0.877	84%	0.835	S	S	*	*			trans	-122.9	137.3	163	-52.2	0	0	0	0	106.6
126	Q	25.2	Very low	26.2	Very low	188 Å²	188	144.2 Å²	144.2	88%	0.879	83%	0.827	S	S	*	*			trans	-120.5	136.3	-155.3	-170.2	179.2	16.7	0	0	114.3
127	G	24.5	Very low	26.7	Very low	70 Å²	70	146.6 Å²	146.6	72%	0.722	83%	0.829	S	S	*	*			trans	79.6	167	161.1	0	0	0	0	0	117.1
128	Q	25.5	Very low	26.6	Very low	194 Å²	194	148.5 Å²	148.5	91%	0.907	83%	0.828	S	S	*	*			cis	-163.9	161.4	-22.9	-172.4	162.5	-10.5	0	0	108.4
129	E	27.3	Very low	26.5	Very low	184 Å²	184	145.3 Å²	145.3	86%	0.86	82%	0.821	S	S	*	*			trans	-71.2	161.2	-178.8	-58.3	-167.3	141.4	0	0	115.4
130	P	29.1	Very low	27.1	Very low	126 Å²	126	144.9 Å²	144.9	82%	0.818	82%	0.816	S	S	*	*			trans	-126.8	116.9	160.6	36.2	-21.1	0	0	0	114.9
131	S	23.8	Very low	27	Very low	125 Å²	125	146 Å²	146	87%	0.874	81%	0.812	S	S	*	*			trans	-90.3	157.8	145.7	57.7	0	0	0	0	109.5
132	G	26.8	Very low	27.3	Very low	68 Å²	68	142.8 Å²	142.8	70%	0.701	81%	0.81	S	S	*	*			cis	172.3	146.9	-2.7	0	0	0	0	0	109.9
133	E	28.1	Very low	27.4	Very low	165 Å²	165	141.7 Å²	141.7	77%	0.771	81%	0.81	S	S	*	*			trans	36.5	136.4	164.5	-57.5	-166.3	118	0	0	123.1
134	N	26.1	Very low	27.5	Very low	151 Å²	151	141.1 Å²	141.1	81%	0.807	81%	0.807	S	S	*	*				-162.4	162.9	119.1	-115.2	-82.2	0	0	0	114.3
135	H	26.4	Very low	27.6	Very low	161 Å²	161	140.6 Å²	140.6	75%	0.745	80%	0.802	S	S	*	*			trans	-84.6	170.4	-171.7	-40.8	-74.6	0	0	0	112.9
136	G	25.7	Very low	27.9	Very low	68 Å²	68	143.1 Å²	143.1	70%	0.701	80%	0.801	S	S	*	*			cis	-177.9	-146	5.8	0	0	0	0	0	107.7
137	P	36.2	Very low	28.3	Very low	121 Å²	121	140 Å²	140	79%	0.786	79%	0.791	S	S	*	*			cis	-139.3	-169.2	-13.2	41.6	-21.9	0	0	0	114.9
138	L	25.1	Very low	28.7	Very low	163 Å²	163	141.3 Å²	141.3	85%	0.853	79%	0.787	S	S	*	*			trans	76.4	97	159.1	-61.7	173.8	0	0	0	122.4
139	S	24.4	Very low	28.8	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	78%	0.778	S	S	*	*				8.4	161.3	123.5	-118.6	0	0	0	0	122.1
140	P	37.7	Very low	29.5	Very low	99 Å²	99	138.3 Å²	138.3	64%	0.643	77%	0.774	S	S	*	*			cis	-143.4	175.2	10.3	42.7	-23.8	0	0	0	119.1
141	N	25.7	Very low	29.6	Very low	151 Å²	151	138.6 Å²	138.6	81%	0.807	77%	0.768	S	S	*	*			trans	67	97.9	150.1	-71.1	-22.8	0	0	0	122.2
142	A	29	Very low	30.1	Very low	106 Å²	106	140.8 Å²	140.8	88%	0.876	77%	0.769	S	S	*	*			trans	-148.6	121.1	135.2	0	0	0	0	0	110.8
143	L	30.5	Very low	30.3	Very low	161 Å²	161	140.3 Å²	140.3	84%	0.843	76%	0.764	S	S	*	*			trans	-102.9	139.4	-179.8	-71.8	162.4	0	0	0	111.3
144	R	28.9	Very low	30.5	Very low	221 Å²	221	140.7 Å²	140.7	83%	0.834	77%	0.77	S	S	*	*			trans	175	140.7	131.7	-100.2	159.5	-171.5	-141.6	-0.4	115.8
145	F	29	Very low	30.7	Very low	177 Å²	177	142.6 Å²	142.6	78%	0.776	77%	0.774	S	S	*	*			trans	53	119.7	166.3	-54.6	-67.7	0	0	0	117.7
146	K	30.3	Very low	30.8	Very low	196 Å²	196	137.9 Å²	137.9	85%	0.852	77%	0.77	S	S	*	*			cis	96.3	150.2	39.7	-78.2	-144.1	168.6	-162.7	0	114.4
147	D	34.6	Very low	30.9	Very low	124 Å²	124	142.6 Å²	142.6	66%	0.663	78%	0.779	S	S	*	*			trans	-128.9	139.7	-140.8	169.9	51.4	0	0	0	113.1
148	P	31.8	Very low	30.6	Very low	97 Å²	97	144.1 Å²	144.1	63%	0.63	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	109.6	162.7	34.5	-23	0	0	0	109.9
149	F	29	Very low	30.9	Very low	168 Å²	168	142.1 Å²	142.1	74%	0.737	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	cis	-140.9	79.9	49.1	-84.2	-93.5	0	0	0	113.8	L151	F149-L151 PolarHBondContact O-N 3.3Å
150	L	42.3	Very low	31	Very low	146 Å²	146	145.1 Å²	145.1	76%	0.764	78%	0.778	S	S	*	*			trans	-79.8	56.6	154.6	-143.2	-179.4	0	0	0	110.9
151	L	30.8	Very low	31.2	Very low	132 Å²	132	145.3 Å²	145.3	69%	0.691	78%	0.779	S	S	*	*	S	Bend	trans	-155.9	112.9	171	-136.5	164.7	0	0	0	106.8	F149	F149-L151 PolarHBondContact O-N 3.3Å
152	L	34.7	Very low	31.3	Very low	171 Å²	171	145.4 Å²	145.4	90%	0.895	78%	0.78	S	S	*	*	S	Bend	trans	71	29.2	-167.7	-47.3	177.4	0	0	0	115.9
153	G	29.8	Very low	31.2	Very low	58 Å²	58	143.6 Å²	143.6	60%	0.598	77%	0.772	S	S	*	*			trans	-70.6	146	170.6	0	0	0	0	0	113.1
154	L	32.5	Very low	31.1	Very low	173 Å²	173	145.3 Å²	145.3	91%	0.906	77%	0.773	S	S	*	*			trans	-149.7	143.6	150.9	-106.4	169.7	0	0	0	107.6
155	E	30	Very low	31	Very low	191 Å²	191	142.9 Å²	142.9	89%	0.893	77%	0.768	S	S	*	*			trans	-83.2	155.1	-171	-64.2	160.8	123.4	0	0	111.7
156	G	28	Very low	30.9	Very low	63 Å²	63	143.5 Å²	143.5	65%	0.649	77%	0.766	S	S	*	*			trans	-105.9	139.6	159.5	0	0	0	0	0	109.9
157	N	28.3	Very low	30.6	Very low	166 Å²	166	140 Å²	140	89%	0.888	76%	0.756	S	S	*	*			trans	-166.4	158.5	137.3	-99.1	-36.8	0	0	0	113.1
158	L	29.3	Very low	30.1	Very low	154 Å²	154	141.1 Å²	141.1	81%	0.806	76%	0.762	S	S	*	*			trans	-65.8	165.2	179.5	-82.9	145.4	0	0	0	112.9
159	P	32.9	Very low	29.8	Very low	121 Å²	121	142 Å²	142	79%	0.786	77%	0.77	S	S	*	*			cis	-146.3	-167.2	46	42.9	-21.2	0	0	0	118.5
160	E	24.9	Very low	29.6	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.804	78%	0.778	S	S	*	*			trans	-63.6	-178.2	175.1	-41.6	176.7	119.8	0	0	113.4
161	P	43.3	Very low	28.9	Very low	103 Å²	103	143 Å²	143	67%	0.669	77%	0.773	S	S	*	*			cis	-138.9	-158.5	4.6	41.2	-19.5	0	0	0	115.5
162	D	26.7	Very low	28.7	Very low	153 Å²	153	143.7 Å²	143.7	82%	0.818	78%	0.782	S	S	*	*			trans	70.6	111.8	155.1	-64.4	-21.9	0	0	0	122.3
163	G	28.4	Very low	28.4	Very low	68 Å²	68	138.8 Å²	138.8	70%	0.701	77%	0.773	S	S	*	*				81.6	100.5	89	0	0	0	0	0	119.4
164	F	27.9	Very low	28.2	Very low	198 Å²	198	143.5 Å²	143.5	87%	0.868	78%	0.784	S	S	*	*			trans	6.6	126.3	150.3	-76.3	-101.9	0	0	0	119.6
165	F	27.3	Very low	28.1	Very low	169 Å²	169	139.6 Å²	139.6	74%	0.741	77%	0.772	S	S	*	*				-172.4	120.1	105.9	-119.3	-107.9	0	0	0	114.4
166	R	26.5	Very low	28.8	Very low	191 Å²	191	135.1 Å²	135.1	72%	0.721	76%	0.759	S	S	*	*				60.1	126.2	128	-164.4	-179.2	73.8	-174	2.1	123.8
167	D	23.6	Very low	28.8	Very low	121 Å²	121	141.5 Å²	141.5	65%	0.647	77%	0.769	S	S	*	*			trans	76.7	119.7	144.8	-68	-14.8	0	0	0	125.8
168	L	25.3	Very low	29.9	Very low	149 Å²	149	139.4 Å²	139.4	78%	0.78	77%	0.765	S	S	*	*				53.1	104	122.2	-55.7	170.1	0	0	0	122
169	S	25.3	Very low	29.9	Very low	114 Å²	114	137 Å²	137	80%	0.797	77%	0.767	S	S	*	*				-179.6	138.5	116.7	33.7	0	0	0	0	110
170	R	24.3	Very low	29.7	Very low	241 Å²	241	141 Å²	141	91%	0.909	77%	0.772	S	S	*	*				54.5	132.7	72.8	-87.8	-172	158.8	160.5	-6.1	113.2
171	S	27.6	Very low	30.6	Very low	94 Å²	94	138.2 Å²	138.2	66%	0.657	77%	0.769	S	S	*	*			cis	-176.3	155.7	4.9	50.7	0	0	0	0	113.2
172	V	27.1	Very low	30.1	Very low	147 Å²	147	139.4 Å²	139.4	89%	0.891	78%	0.776	S	S	*	*			trans	65.6	145.3	155.8	172.1	0	0	0	0	115.8
173	G	27.3	Very low	30.2	Very low	68 Å²	68	141.6 Å²	141.6	70%	0.701	78%	0.779	S	S	*	*			cis	-155.1	-162.6	-4.7	0	0	0	0	0	108.3
174	D	25.8	Very low	31.4	Very low	157 Å²	157	143.7 Å²	143.7	84%	0.84	78%	0.78	S	S	*	*			cis	-156.5	-175.4	-0.8	-158.1	-11.3	0	0	0	109
175	S	31.1	Very low	31.4	Very low	92 Å²	92	143.4 Å²	143.4	64%	0.643	78%	0.781	S	S	*	*			trans	-134.4	-168.8	-179.4	68.2	0	0	0	0	110.4
176	P	45	Very low	31.5	Very low	97 Å²	97	139 Å²	139	63%	0.63	78%	0.784	S	S	*	*			cis	-143.3	161.2	-4.1	40.9	-22	0	0	0	118.2
177	K	27.8	Very low	31.7	Very low	196 Å²	196	138.4 Å²	138.4	85%	0.852	79%	0.794	S	S	*	*			trans	60.8	-178.2	138.6	-72.7	174.7	-178.7	171.5	0	119.3
178	P	51.5	Low	31.9	Very low	123 Å²	123	137.4 Å²	137.4	80%	0.799	80%	0.796	S	S	*	*				-134.2	168.7	-55	38.5	-24	0	0	0	115.3
179	A	27.7	Very low	32.1	Very low	102 Å²	102	139.8 Å²	139.8	84%	0.843	80%	0.801	S	S	*	*			trans	-150.3	165.7	160.7	0	0	0	0	0	112.9
180	K	28.8	Very low	32.6	Very low	206 Å²	206	144.7 Å²	144.7	90%	0.896	81%	0.807	S	S	*	*			trans	-118.5	-154.9	-178.2	-60.1	-177.7	176.1	176.2	0	112.4
181	P	44.4	Very low	32.8	Very low	114 Å²	114	138.9 Å²	138.9	74%	0.74	80%	0.804	S	S	*	*				-124.1	-173.7	-111.8	41	-21.8	0	0	0	114.5
182	P	32.8	Very low	32.7	Very low	127 Å²	127	144 Å²	144	83%	0.825	81%	0.814	S	S	*	*			trans	-139.9	171.7	142.4	34.2	-17.9	0	0	0	116.5
183	K	27.9	Very low	32.5	Very low	200 Å²	200	145.2 Å²	145.2	87%	0.87	82%	0.815	S	S	*	*			trans	-155.8	165.9	173.3	-93.5	-171.9	177	-177	0	106.7
184	P	55.3	Low	32.4	Very low	111 Å²	111	147.4 Å²	147.4	72%	0.721	82%	0.815	S	S	*	*			cis	-127.8	-142.8	-28.8	39.3	-20.1	0	0	0	110.6
185	E	26.4	Very low	32.6	Very low	192 Å²	192	144.7 Å²	144.7	90%	0.897	81%	0.806	S	S	*	*			trans	80.6	144.7	-178.3	-54.3	-177.1	-170.8	0	0	115.4
186	G	29.3	Very low	32.4	Very low	78 Å²	78	146.3 Å²	146.3	80%	0.804	81%	0.814	S	S	*	*			cis	-154.2	-173.4	0.9	0	0	0	0	0	113.2
187	L	32.2	Very low	31.4	Very low	178 Å²	178	150.3 Å²	150.3	93%	0.932	82%	0.824	S	S	*	*			trans	-73.3	144.2	-169.1	-67.4	133.6	0	0	0	115.2
188	S	26.5	Very low	31.6	Very low	100 Å²	100	148.1 Å²	148.1	70%	0.699	82%	0.82	S	S	*	*				175.4	161.3	110.4	62.7	0	0	0	0	116.4
189	K	29.6	Very low	30.5	Very low	199 Å²	199	147.8 Å²	147.8	87%	0.865	82%	0.818	S	S	*	*			trans	69.9	110.4	154.3	-72.5	161.5	-175.7	172.2	0	120.9
190	K	36.8	Very low	30.3	Very low	216 Å²	216	151.2 Å²	151.2	94%	0.939	82%	0.817	S	S	*	*			trans	-32.6	136.2	164.7	-57.4	167.5	179.2	173.8	0	116.5
191	S	27.7	Very low	30.3	Very low	119 Å²	119	145 Å²	145	83%	0.832	80%	0.797	S	S	*	*			trans	-123	168.8	149.3	60.4	0	0	0	0	110
192	K	24.9	Very low	29.5	Very low	201 Å²	201	140.9 Å²	140.9	87%	0.874	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-82	140.4	-178.5	-69.5	176.3	179.8	173.1	0	110.9	T194	K192-T194 PolarHBondContact O-N 3.04Å
193	L	24.6	Very low	29.2	Very low	173 Å²	173	140.4 Å²	140.4	91%	0.906	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-74.7	120.7	162.1	-78.5	165	0	0	0	109.7
194	T	25.1	Very low	29.6	Very low	115 Å²	115	138.9 Å²	138.9	71%	0.706	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-67.6	149.8	167.4	-46.7	0	0	0	0	109.6	K192	K192-T194 PolarHBondContact O-N 3.04Å
195	P	29.8	Very low	28.7	Very low	100 Å²	100	138 Å²	138	65%	0.649	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-56.2	151.8	166.6	-22.9	34.3	0	0	0	111.1	Q197	P195-Q197 PolarHBondContact O-N 3.14Å
196	P	27	Very low	29.1	Very low	126 Å²	126	136 Å²	136	82%	0.818	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-59.4	127.2	171	26.6	-33.6	0	0	0	108.9
197	Q	24.2	Very low	29.4	Very low	180 Å²	180	138.1 Å²	138.1	84%	0.841	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-66.6	140.9	170.4	-74	176	-44.8	0	0	109	P195	P195-Q197 PolarHBondContact O-N 3.14Å
198	I	31.8	Very low	29.5	Very low	151 Å²	151	133 Å²	133	77%	0.774	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-62.4	138.1	163.6	-59.5	170.1	0	0	0	106.3	Q200	I198-Q200 PolarHBondContact O-N 3.26Å
199	P	27.8	Very low	29.9	Very low	115 Å²	115	129.6 Å²	129.6	75%	0.747	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-53.5	132.3	174.9	-25.3	34.8	0	0	0	110.6
200	Q	23.6	Very low	30.6	Very low	174 Å²	174	120.9 Å²	120.9	81%	0.813	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-68.4	139	167.1	-73.6	-71.2	-1.5	0	0	108.4	I198	I198-Q200 PolarHBondContact O-N 3.26Å
201	P	28.1	Very low	31.2	Very low	75 Å²	75	114.7 Å²	114.7	49%	0.487	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-58.5	148.4	176	-21.4	32.5	0	0	0	112	D205	P201-D205 WeakPolarHBondContact CA-OD2 3.47Å; P201-D205 HydrophobicContact CB-CB 3.64Å
202	G	28	Very low	33	Very low	29 Å²	29	111.6 Å²	111.6	30%	0.299	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-80.2	167.4	173.8	0	0	0	0	0	112.2	Y204 D205	G202-Y204 PolarHBondContact O-N 3.23Å; G202-D205 PolarHBondContact N-OD2 3.09Å; G202-D205 PolarHBondContact O-N 2.8Å
203	P	27.6	Very low	34.9	Very low	117 Å²	117	103.4 Å²	103.4	76%	0.76	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-23.3	-179.3	-27.4	36	0	0	0	115.1
204	Y	34.8	Very low	37.1	Very low	168 Å²	168	99.9 Å²	99.9	66%	0.659	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-11.5	179.5	-69.5	-78.1	0	0	0	114.6	G202 H206 L207	G202-Y204 PolarHBondContact O-N 3.23Å; Y204-H206 PolarHBondContact O-N 3.5Å; Y204-L207 HydrophobicContact CD1-CD1 4.3Å; Y204-L207 PolarHBondContact O-N 3.07Å
205	D	37.2	Very low	39.7	Very low	92 Å²	92	96.1 Å²	96.1	49%	0.492	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-10.8	171.4	-67.2	-49.3	0	0	0	112	P201 G202 L207	P201-D205 WeakPolarHBondContact CA-OD2 3.47Å; P201-D205 HydrophobicContact CB-CB 3.64Å; G202-D205 PolarHBondContact N-OD2 3.09Å; G202-D205 PolarHBondContact O-N 2.8Å; D205-L207 VanDerWaalsContact C-N 3.34Å
206	H	34.4	Very low	42.6	Very low	150 Å²	150	91.6 Å²	91.6	69%	0.694	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-2	175.2	-68.9	-63.9	0	0	0	114.5	Y204 G208	Y204-H206 PolarHBondContact O-N 3.5Å; H206-G208 VanDerWaalsContact C-N 3.3Å; H206-G208 PolarHBondContact O-N 3.05Å
207	L	36.1	Very low	45.7	Very low	122 Å²	122	85.6 Å²	85.6	64%	0.639	48%	0.48	S	S	*	.	S	Bend	trans	-75.4	86.8	165.3	-81.5	165.1	0	0	0	109.3	Y204 D205 G209	Y204-L207 HydrophobicContact CD1-CD1 4.3Å; Y204-L207 PolarHBondContact O-N 3.07Å; D205-L207 VanDerWaalsContact C-N 3.34Å; L207-G209 PolarHBondContact O-N 2.93Å; L207-G209 VanDerWaalsContact O-N 3.15Å
208	G	33	Very low	49.1	Very low	70 Å²	70	77.2 Å²	77.2	72%	0.722	44%	0.441	S	S	*	.	S	Bend	trans	-31.8	105.4	-166.5	0	0	0	0	0	116	H206	H206-G208 VanDerWaalsContact C-N 3.3Å; H206-G208 PolarHBondContact O-N 3.05Å
209	G	35.6	Very low	52.1	Low	30 Å²	30	70.3 Å²	70.3	31%	0.309	41%	0.405	S	S	.	.			trans	-160.3	118.2	168.7	0	0	0	0	0	109.1	L207 D227	L207-G209 PolarHBondContact O-N 2.93Å; L207-G209 VanDerWaalsContact O-N 3.15Å; G209-D227 WeakPolarHBondContact CA-OD2 3.43Å
210	G	44.5	Very low	55.2	Low	15 Å²	15	64.8 Å²	64.8	16%	0.155	37%	0.369	C	S	.	.			trans	-53.8	157.8	-169.6	0	0	0	0	0	115.6	W212 D227	G210-W212 VanDerWaalsContact O-CD1 3.22Å; G210-W212 PolarHBondContact O-N 2.9Å; G210-W212 PolarHBondContact O-NE1 3.23Å; G210-D227 VanDerWaalsContact N-CG 3.32Å; G210-D227 PolarHBondContact N-OD2 3.03Å
211	A	48.8	Very low	58.5	Low	87 Å²	87	57.2 Å²	57.2	72%	0.719	34%	0.335	S	S	*	.			trans	-71.1	84.6	-176	0	0	0	0	0	112.6	V213	A211-V213 PolarHBondContact O-N 2.75Å
212	W	65.5	Low	61.5	Low	54 Å²	54	55.9 Å²	55.9	21%	0.205	32%	0.322	C	S	.	.			trans	-55.7	117.9	175.2	-55.5	104.4	0	0	0	111.4	G210 R214 H218 I224 F226 V730 L752	G210-W212 VanDerWaalsContact O-CD1 3.22Å; G210-W212 PolarHBondContact O-N 2.9Å; G210-W212 PolarHBondContact O-NE1 3.23Å; W212-R214 PolarHBondContact O-N 2.91Å; W212-R214 VanDerWaalsContact O-N 3.13Å; W212-H218 AromaticContact CE3-CE1 3.66Å; W212-H218 AromaticContact CE3-NE2 3.88Å; W212-H218 AromaticContact CZ3-CE1 3.68Å; W212-I224 VanDerWaalsContact CH2-C 3.46Å; W212-I224 WeakPolarHBondContact CH2-O 3.37Å; W212-I224 WeakPolarHBondContact CZ2-O 3.23Å; W212-F226 WeakPolarHBondContact CH2-O 3.37Å; W212-F226 WeakPolarHBondContact CZ3-O 3.15Å; W212-V730 HydrophobicContact CG-CG1 4.35Å; W212-L752 HydrophobicContact CZ2-CD1 3.95Å
213	V	66.3	Low	64.6	Low	29 Å²	29	54.5 Å²	54.5	18%	0.176	31%	0.308	C	S	.	.			trans	-80.1	99.5	177.6	175	0	0	0	0	108.4	A211 N215 F216 F446 I447	A211-V213 PolarHBondContact O-N 2.75Å; V213-N215 PolarHBondContact O-N 3.03Å; V213-F216 WeakPolarHBondContact O-CB 3.29Å; V213-F216 PolarHBondContact O-N 3.09Å; V213-F446 HydrophobicContact CG1-CD1 4.13Å; V213-F446 HydrophobicContact CG1-CE1 3.77Å; V213-F446 HydrophobicContact CG1-CZ 4.2Å; V213-F446 WeakPolarHBondContact CG2-O 3.29Å; V213-I447 WeakPolarHBondContact CG2-O 3.3Å
214	R	68.8	Low	67.6	Low	99 Å²	99	49 Å²	49	37%	0.374	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	-29.2	-173.5	-62.7	-171.2	-177.1	-158.2	2.5	115.9	W212 F216 D816 E819	W212-R214 PolarHBondContact O-N 2.91Å; W212-R214 VanDerWaalsContact O-N 3.13Å; R214-F216 VanDerWaalsContact C-N 3.31Å; R214-D816 IonicContact CZ-OD1 3.19Å; R214-D816 VanDerWaalsContact CZ-OD1 3.27Å; R214-D816 IonicContact CZ-OD2 3.65Å; R214-D816 VanDerWaalsContact NH1-CG 3.26Å; R214-D816 IonicContact NH1-OD1 3.71Å; R214-D816 PolarHBondContact NH1-OD1 3.29Å; R214-D816 IonicContact NH1-OD2 2.75Å; R214-D816 IonicContact NH2-OD1 2.73Å; R214-D816 PolarHBondContact NH2-OD1 2.85Å; R214-D816 IonicContact NH2-OD2 2.71Å; R214-D816 PolarHBondContact NH2-OD2 2.71Å; R214-E819 IonicContact CZ-OE2 3.76Å; R214-E819 IonicContact NH1-OE2 2.78Å; R214-E819 PolarHBondContact NH1-OE2 2.69Å
215	N	80.7	Confident	70.3	Confident	35 Å²	35	42.3 Å²	42.3	19%	0.187	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-2.7	-178.5	-61.2	49.9	0	0	0	113.4	V213 I421 S425 F446 E722	V213-N215 PolarHBondContact O-N 3.03Å; N215-I421 HydrophobicContact CB-CD1 4.26Å; N215-I421 WeakPolarHBondContact O-CG1 2.76Å; N215-S425 PolarHBondContact ND2-O 2.85Å; N215-S425 VanDerWaalsContact ND2-O 3.11Å; N215-F446 HydrophobicContact CB-CE1 3.92Å; N215-F446 HydrophobicContact CB-CZ 4.05Å; N215-E722 HydrophobicContact CB-CB 4.3Å; N215-E722 PolarHBondContact ND2-OE2 3.37Å
216	F	89.9	Confident	72.8	Confident	5 Å²	5	38.4 Å²	38.4	2%	0.022	23%	0.226	C	C	.	.			trans	-93.4	128.8	177	-175.3	-99.1	0	0	0	110.8	V213 R214 H218 I407 L417 G419 I421 I447	V213-F216 WeakPolarHBondContact O-CB 3.29Å; V213-F216 PolarHBondContact O-N 3.09Å; R214-F216 VanDerWaalsContact C-N 3.31Å; F216-H218 AromaticContact CD1-CD2 3.85Å; F216-H218 AromaticContact CD1-CE1 3.92Å; F216-H218 AromaticContact CD1-NE2 3.7Å; F216-I407 HydrophobicContact CE2-CB 4.31Å; F216-I407 HydrophobicContact CE2-CD1 4.4Å; F216-L417 HydrophobicContact CE1-CD1 3.81Å; F216-L417 HydrophobicContact CE1-CG 4.17Å; F216-L417 HydrophobicContact CZ-CD1 4.39Å; F216-L417 HydrophobicContact CZ-CG 4.24Å; F216-G419 VanDerWaalsContact CZ-CA 3.45Å; F216-I421 HydrophobicContact CD2-CB 4.42Å; F216-I447 HydrophobicContact CD2-CD1 4.17Å; F216-I447 HydrophobicContact CD2-CG2 4Å; F216-I447 HydrophobicContact CE2-CG2 4.41Å; F216-I447 HydrophobicContact CG-CG2 4.35Å
217	A	93.4	Very high	75.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	111	-179.7	0	0	0	0	0	110.6	G419 S420 S725 L729	A217-G419 CarbonylContact O-C 3.5Å; A217-G419 WeakPolarHBondContact O-CA 3.27Å; A217-S420 PolarHBondContact N-O 2.93Å; A217-S420 PolarHBondContact O-N 3.46Å; A217-S725 VanDerWaalsContact CB-CB 3.42Å; A217-L729 HydrophobicContact CB-CD2 4.25Å
218	H	94.8	Very high	77.6	Confident	5 Å²	5	27.7 Å²	27.7	2%	0.023	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	133.3	-177.4	-71.6	-96	0	0	0	111.9	W212 F216 S223 I224 G727 A728	W212-H218 AromaticContact CE3-CE1 3.66Å; W212-H218 AromaticContact CE3-NE2 3.88Å; W212-H218 AromaticContact CZ3-CE1 3.68Å; F216-H218 AromaticContact CD1-CD2 3.85Å; F216-H218 AromaticContact CD1-CE1 3.92Å; F216-H218 AromaticContact CD1-NE2 3.7Å; H218-S223 VanDerWaalsContact CB-OG 3.32Å; H218-S223 WeakPolarHBondContact CB-OG 3.34Å; H218-S223 PolarHBondContact CE1-O 3.12Å; H218-S223 VanDerWaalsContact ND1-C 3.27Å; H218-S223 PolarHBondContact ND1-O 2.82Å; H218-S223 PolarHBondContact ND1-OG 3.25Å; H218-I224 HydrophobicContact CB-CD1 4.2Å; H218-I224 HydrophobicContact CB-CG1 3.63Å; H218-G727 CarbonylContact O-C 3.5Å; H218-G727 WeakPolarHBondContact O-CA 3.49Å; H218-A728 HydrophobicContact CB-CB 4.29Å; H218-A728 WeakPolarHBondContact CB-O 3.41Å; H218-A728 PolarHBondContact N-O 2.76Å; H218-A728 PolarHBondContact O-N 2.75Å
219	Y	94.8	Very high	80.1	Confident	5 Å²	5	27.1 Å²	27.1	2%	0.02	16%	0.157	C	C	.	.	S	Bend	trans	-80.4	-37	-177.9	179.4	-106.2	0	0	0	112.8	V335 L336 E337 E338 Y363 Y367 R418	Y219-V335 HydrophobicContact CE1-CG1 3.93Å; Y219-V335 HydrophobicContact CE1-CG2 3.9Å; Y219-V335 HydrophobicContact CE2-CG1 4.03Å; Y219-L336 PolarHBondContact O-N 2.68Å; Y219-E337 HydrophobicContact CD2-CB 3.51Å; Y219-E337 HydrophobicContact CD2-CG 4.27Å; Y219-E337 WeakPolarHBondContact CD2-OE2 3.49Å; Y219-E337 HydrophobicContact CE2-CB 3.86Å; Y219-E337 HydrophobicContact CG-CB 4.5Å; Y219-E337 PolarHBondContact O-N 3.21Å; Y219-E338 HydrophobicContact CE2-CG 4.06Å; Y219-E338 PolarHBondContact OH-OE1 2.88Å; Y219-Y363 AromaticContact CD1-CD2 3.5Å; Y219-Y363 HydrophobicContact CD1-CD2 3.5Å; Y219-Y363 VanDerWaalsContact CD1-CD2 3.5Å; Y219-Y363 HydrophobicContact CD1-CE2 4.21Å; Y219-Y363 AromaticContact CD1-CG 3.88Å; Y219-Y363 HydrophobicContact CD1-CG 3.88Å; Y219-Y363 AromaticContact CD2-CD2 3.43Å; Y219-Y363 HydrophobicContact CD2-CD2 3.43Å; Y219-Y363 VanDerWaalsContact CD2-CD2 3.43Å; Y219-Y363 AromaticContact CD2-CE2 3.4Å; Y219-Y363 HydrophobicContact CD2-CE2 3.4Å; Y219-Y363 VanDerWaalsContact CD2-CE2 3.4Å; Y219-Y363 AromaticContact CE1-CD2 3.63Å; Y219-Y363 HydrophobicContact CE1-CD2 3.63Å; Y219-Y363 HydrophobicContact CE1-CG 4.12Å; Y219-Y363 AromaticContact CE2-CD2 3.57Å; Y219-Y363 HydrophobicContact CE2-CD2 3.57Å; Y219-Y363 AromaticContact CE2-CE2 3.83Å; Y219-Y363 HydrophobicContact CE2-CE2 3.83Å; Y219-Y363 AromaticContact CG-CD2 3.4Å; Y219-Y363 HydrophobicContact CG-CD2 3.4Å; Y219-Y363 VanDerWaalsContact CG-CD2 3.4Å; Y219-Y363 AromaticContact CG-CE2 3.62Å; Y219-Y363 HydrophobicContact CG-CE2 3.62Å; Y219-Y363 HydrophobicContact CG-CG 4.09Å; Y219-Y363 AromaticContact CZ-CD2 3.67Å; Y219-Y367 AromaticContact CE2-CE2 3.93Å; Y219-Y367 HydrophobicContact CE2-CE2 3.93Å; Y219-R418 WeakPolarHBondContact CB-O 3.42Å; Y219-R418 PolarHBondContact N-O 2.93Å
220	D	94	Very high	82.4	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-144.3	165.1	-170.2	58.3	64.9	0	0	0	112.5	Q222 S223 S334 R418	D220-Q222 VanDerWaalsContact C-N 3.31Å; D220-Q222 PolarHBondContact O-N 3.46Å; D220-Q222 WeakPolarHBondContact OD1-CB 3.33Å; D220-Q222 PolarHBondContact OD1-N 3.23Å; D220-S223 PolarHBondContact O-N 3.09Å; D220-S223 PolarHBondContact O-OG 3.19Å; D220-S223 WeakPolarHBondContact OD1-CB 3.4Å; D220-S223 PolarHBondContact OD1-N 2.87Å; D220-S334 CarbonylContact C-O 3.49Å; D220-S334 VanDerWaalsContact CA-O 3.25Å; D220-S334 WeakPolarHBondContact CA-O 3.45Å; D220-S334 VanDerWaalsContact CB-O 3.25Å; D220-S334 WeakPolarHBondContact CB-O 3.05Å; D220-R418 IonicContact OD1-CZ 2.77Å; D220-R418 IonicContact OD1-NE 2.71Å; D220-R418 IonicContact OD1-NH2 3.49Å; D220-R418 VanDerWaalsContact OD2-CB 3.32Å; D220-R418 WeakPolarHBondContact OD2-CB 3.33Å; D220-R418 VanDerWaalsContact OD2-CD 3.24Å; D220-R418 WeakPolarHBondContact OD2-CD 3.27Å; D220-R418 IonicContact OD2-CZ 2.66Å; D220-R418 IonicContact OD2-NE 3.51Å; D220-R418 PolarHBondContact OD2-NE 3.01Å; D220-R418 IonicContact OD2-NH2 3.99Å
221	V	92.4	Very high	84.3	Confident	14 Å²	14	26 Å²	26	9%	0.085	14%	0.14	C	C	.	.	H	α-helix	trans	-59.7	-37.7	-179.5	170.5	0	0	0	0	112.4	S223 I224 L225 V333 S334 L336 I763 V770	V221-S223 VanDerWaalsContact C-N 3.29Å; V221-S223 PolarHBondContact O-N 3.39Å; V221-I224 PolarHBondContact O-N 3.15Å; V221-I224 VanDerWaalsContact O-N 3.13Å; V221-L225 HydrophobicContact CG1-CD1 4.18Å; V221-L225 PolarHBondContact O-N 2.92Å; V221-V333 HydrophobicContact CG2-CG1 4.09Å; V221-V333 WeakPolarHBondContact CG2-O 3.39Å; V221-S334 PolarHBondContact N-O 3.18Å; V221-L336 HydrophobicContact CG2-CD1 4.01Å; V221-L336 HydrophobicContact CG2-CD2 4.09Å; V221-L336 HydrophobicContact CG2-CG 4.15Å; V221-I763 HydrophobicContact CG1-CD1 3.95Å; V221-I763 HydrophobicContact CG1-CG1 4.47Å; V221-V770 HydrophobicContact CG1-CG2 3.84Å; V221-V770 HydrophobicContact CG2-CG2 4.21Å
222	Q	90.6	Very high	86	Confident	48 Å²	48	22.7 Å²	22.7	22%	0.224	11%	0.112	C	C	.	.	H	α-helix	trans	-64.9	-34.7	178.8	-73.5	-159.9	18.5	0	0	112.6	D220 I224 L225 F226 D358 R418	D220-Q222 VanDerWaalsContact C-N 3.31Å; D220-Q222 PolarHBondContact O-N 3.46Å; D220-Q222 WeakPolarHBondContact OD1-CB 3.33Å; D220-Q222 PolarHBondContact OD1-N 3.23Å; Q222-I224 PolarHBondContact O-N 2.62Å; Q222-L225 CarbonylContact O-C 3.55Å; Q222-L225 WeakPolarHBondContact O-CA 3.23Å; Q222-L225 PolarHBondContact O-N 3.32Å; Q222-F226 PolarHBondContact O-N 2.86Å; Q222-F226 VanDerWaalsContact O-N 3.16Å; Q222-D358 VanDerWaalsContact NE2-CB 3.34Å; Q222-D358 PolarHBondContact NE2-OD2 3.34Å; Q222-D358 PolarHBondContact OE1-OD2 3.49Å; Q222-R418 VanDerWaalsContact CB-NH2 3.31Å; Q222-R418 VanDerWaalsContact OE1-NH2 3.08Å
223	S	92.7	Very high	86.8	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67	-24.4	176.5	77.5	0	0	0	0	112.8	H218 D220 V221 L225 R418	H218-S223 VanDerWaalsContact CB-OG 3.32Å; H218-S223 WeakPolarHBondContact CB-OG 3.34Å; H218-S223 PolarHBondContact CE1-O 3.12Å; H218-S223 VanDerWaalsContact ND1-C 3.27Å; H218-S223 PolarHBondContact ND1-O 2.82Å; H218-S223 PolarHBondContact ND1-OG 3.25Å; D220-S223 PolarHBondContact O-N 3.09Å; D220-S223 PolarHBondContact O-OG 3.19Å; D220-S223 WeakPolarHBondContact OD1-CB 3.4Å; D220-S223 PolarHBondContact OD1-N 2.87Å; V221-S223 VanDerWaalsContact C-N 3.29Å; V221-S223 PolarHBondContact O-N 3.39Å; S223-L225 VanDerWaalsContact C-N 3.3Å; S223-R418 VanDerWaalsContact CB-O 3.24Å; S223-R418 WeakPolarHBondContact CB-O 3.33Å; S223-R418 PolarHBondContact OG-O 2.68Å
224	I	92.3	Very high	87.4	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-81.8	-11.6	171.7	-54.5	176.2	0	0	0	111.3	W212 H218 V221 Q222 L336 A728 V730 L752 I763	W212-I224 VanDerWaalsContact CH2-C 3.46Å; W212-I224 WeakPolarHBondContact CH2-O 3.37Å; W212-I224 WeakPolarHBondContact CZ2-O 3.23Å; H218-I224 HydrophobicContact CB-CD1 4.2Å; H218-I224 HydrophobicContact CB-CG1 3.63Å; V221-I224 PolarHBondContact O-N 3.15Å; V221-I224 VanDerWaalsContact O-N 3.13Å; Q222-I224 PolarHBondContact O-N 2.62Å; I224-L336 HydrophobicContact CD1-CD1 3.43Å; I224-L336 VanDerWaalsContact CD1-CD1 3.43Å; I224-A728 HydrophobicContact CD1-CB 3.9Å; I224-V730 HydrophobicContact CB-CG2 4.39Å; I224-V730 HydrophobicContact CD1-CG2 4Å; I224-V730 HydrophobicContact CG1-CG2 3.83Å; I224-V730 HydrophobicContact CG2-CG1 3.96Å; I224-V730 HydrophobicContact CG2-CG2 3.81Å; I224-L752 HydrophobicContact CG2-CB 4.19Å; I224-L752 HydrophobicContact CG2-CD1 3.94Å; I224-L752 VanDerWaalsContact O-CD1 3.31Å; I224-L752 WeakPolarHBondContact O-CD1 3.35Å; I224-I763 HydrophobicContact CB-CD1 3.95Å; I224-I763 HydrophobicContact CD1-CD1 4.29Å; I224-I763 HydrophobicContact CG2-CD1 3.72Å
225	L	90.3	Very high	87.7	Confident	29 Å²	29	23.9 Å²	23.9	15%	0.152	13%	0.126	C	C	.	.	S	Bend	trans	-104.9	3.1	176.7	-74.6	169.8	0	0	0	113.2	V221 Q222 S223 K415 I763 R768	V221-L225 HydrophobicContact CG1-CD1 4.18Å; V221-L225 PolarHBondContact O-N 2.92Å; Q222-L225 CarbonylContact O-C 3.55Å; Q222-L225 WeakPolarHBondContact O-CA 3.23Å; Q222-L225 PolarHBondContact O-N 3.32Å; S223-L225 VanDerWaalsContact C-N 3.3Å; L225-K415 HydrophobicContact CB-CD 4.27Å; L225-K415 WeakPolarHBondContact O-CD 3.4Å; L225-K415 WeakPolarHBondContact O-CE 3.41Å; L225-K415 PolarHBondContact O-NZ 2.88Å; L225-I763 HydrophobicContact CD1-CG2 4.29Å; L225-I763 HydrophobicContact CD2-CG2 3.63Å; L225-I763 HydrophobicContact CG-CG2 4.11Å; L225-R768 VanDerWaalsContact CD1-O 3.23Å; L225-R768 WeakPolarHBondContact CD1-O 3.48Å; L225-R768 HydrophobicContact CD2-CB 3.83Å; L225-R768 HydrophobicContact CD2-CG 4.21Å
226	F	89.8	Confident	86.8	Confident	10 Å²	10	27.6 Å²	27.6	4%	0.044	15%	0.145	C	C	.	.			trans	-82.7	113.5	-178.7	-179.1	-89.8	0	0	0	112.4	W212 Q222 L228 V231 F409 T411 K415 L417	W212-F226 WeakPolarHBondContact CH2-O 3.37Å; W212-F226 WeakPolarHBondContact CZ3-O 3.15Å; Q222-F226 PolarHBondContact O-N 2.86Å; Q222-F226 VanDerWaalsContact O-N 3.16Å; F226-L228 HydrophobicContact CE1-CD2 3.66Å; F226-L228 HydrophobicContact CE1-CG 4.08Å; F226-L228 HydrophobicContact CZ-CD2 3.93Å; F226-V231 HydrophobicContact CE2-CG2 4.32Å; F226-V231 HydrophobicContact CZ-CG2 4.47Å; F226-F409 AromaticContact CE1-CD1 3.84Å; F226-F409 HydrophobicContact CE1-CD1 3.84Å; F226-F409 HydrophobicContact CE1-CE1 4.22Å; F226-F409 HydrophobicContact CE2-CD1 4.47Å; F226-F409 AromaticContact CZ-CD1 3.52Å; F226-F409 HydrophobicContact CZ-CD1 3.52Å; F226-F409 AromaticContact CZ-CE1 3.74Å; F226-F409 HydrophobicContact CZ-CE1 3.74Å; F226-T411 HydrophobicContact CE2-CG2 4.13Å; F226-T411 HydrophobicContact CZ-CG2 3.86Å; F226-K415 HydrophobicContact CD2-CB 4.3Å; F226-K415 WeakPolarHBondContact CD2-O 3.22Å; F226-L417 HydrophobicContact CB-CB 4.33Å; F226-L417 HydrophobicContact CB-CD1 4.39Å; F226-L417 HydrophobicContact CD1-CB 3.7Å; F226-L417 HydrophobicContact CD1-CD1 4.23Å; F226-L417 HydrophobicContact CD1-CD2 4.33Å; F226-L417 HydrophobicContact CD1-CG 4.31Å; F226-L417 HydrophobicContact CD2-CB 4.25Å; F226-L417 HydrophobicContact CE1-CB 4.09Å; F226-L417 HydrophobicContact CG-CB 3.8Å
227	D	86.3	Confident	85.5	Confident	21 Å²	21	29.1 Å²	29.1	11%	0.112	16%	0.156	C	C	.	.			trans	-123.4	123.1	179	-169.4	-21.1	0	0	0	111.4	G209 G210 T229 E230 V231	G209-D227 WeakPolarHBondContact CA-OD2 3.43Å; G210-D227 VanDerWaalsContact N-CG 3.32Å; G210-D227 PolarHBondContact N-OD2 3.03Å; D227-T229 PolarHBondContact O-N 2.8Å; D227-T229 WeakPolarHBondContact OD1-CA 3.48Å; D227-T229 WeakPolarHBondContact OD1-CB 3.17Å; D227-T229 PolarHBondContact OD1-N 2.83Å; D227-T229 PolarHBondContact OD1-OG1 3.36Å; D227-E230 HydrophobicContact CB-CB 3.99Å; D227-E230 PolarHBondContact O-N 2.89Å; D227-V231 WeakPolarHBondContact O-CG2 3.31Å; D227-V231 PolarHBondContact O-N 2.85Å; D227-V231 VanDerWaalsContact O-N 3.16Å
228	L	85.5	Confident	84	Confident	25 Å²	25	31.4 Å²	31.4	13%	0.131	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-31.5	176.3	-66.7	173.8	0	0	0	112.7	F226 A232 L383 F409 M448 E450	F226-L228 HydrophobicContact CE1-CD2 3.66Å; F226-L228 HydrophobicContact CE1-CG 4.08Å; F226-L228 HydrophobicContact CZ-CD2 3.93Å; L228-A232 PolarHBondContact O-N 2.66Å; L228-A232 VanDerWaalsContact O-N 3.14Å; L228-L383 HydrophobicContact CD2-CD1 4.01Å; L228-F409 HydrophobicContact CD2-CD1 4.33Å; L228-F409 HydrophobicContact CD2-CE1 3.61Å; L228-F409 HydrophobicContact CD2-CZ 4.45Å; L228-M448 HydrophobicContact CD1-CB 4.14Å; L228-M448 HydrophobicContact CD1-CG 4.11Å; L228-M448 HydrophobicContact CD1-SD 4.43Å; L228-M448 HydrophobicContact CD2-SD 4.36Å; L228-E450 HydrophobicContact CD1-CB 4.49Å
229	T	84.6	Confident	82	Confident	58 Å²	58	34.4 Å²	34.4	36%	0.356	20%	0.2	S	C	.	.	H	α-helix	trans	-66.3	-45.5	177.6	-37.9	0	0	0	0	110	D227 A232 T233	D227-T229 PolarHBondContact O-N 2.8Å; D227-T229 WeakPolarHBondContact OD1-CA 3.48Å; D227-T229 WeakPolarHBondContact OD1-CB 3.17Å; D227-T229 PolarHBondContact OD1-N 2.83Å; D227-T229 PolarHBondContact OD1-OG1 3.36Å; T229-A232 PolarHBondContact O-N 3.39Å; T229-T233 PolarHBondContact O-N 3.03Å; T229-T233 PolarHBondContact O-OG1 3.22Å
230	E	83.5	Confident	80	Confident	19 Å²	19	43 Å²	43	9%	0.089	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-43.6	179	-164.9	-157.8	169.6	0	0	111.5	D227 A232 T233 N234 K415 R768	D227-E230 HydrophobicContact CB-CB 3.99Å; D227-E230 PolarHBondContact O-N 2.89Å; E230-A232 VanDerWaalsContact C-N 3.29Å; E230-A232 PolarHBondContact O-N 2.66Å; E230-T233 WeakPolarHBondContact CA-OG1 3.27Å; E230-T233 PolarHBondContact O-N 2.87Å; E230-T233 PolarHBondContact O-OG1 2.94Å; E230-N234 VanDerWaalsContact O-CB 3.29Å; E230-N234 WeakPolarHBondContact O-CB 3.34Å; E230-N234 PolarHBondContact O-N 3.5Å; E230-N234 PolarHBondContact O-OD1 2.71Å; E230-N234 PolarHBondContact OE1-ND2 2.8Å; E230-N234 VanDerWaalsContact OE1-ND2 3.13Å; E230-K415 IonicContact OE1-NZ 3.85Å; E230-K415 IonicContact OE2-NZ 2.74Å; E230-K415 PolarHBondContact OE2-NZ 3.38Å; E230-R768 IonicContact OE1-CZ 3.29Å; E230-R768 IonicContact OE1-NH1 3.64Å; E230-R768 PolarHBondContact OE1-NH1 2.91Å; E230-R768 IonicContact OE1-NH2 2.63Å; E230-R768 PolarHBondContact OE1-NH2 2.85Å; E230-R768 IonicContact OE2-CZ 3.36Å; E230-R768 IonicContact OE2-NH1 3.9Å; E230-R768 PolarHBondContact OE2-NH1 2.95Å; E230-R768 IonicContact OE2-NH2 3.44Å; E230-R768 PolarHBondContact OE2-NH2 2.92Å
231	V	84.4	Confident	78.1	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.024	25%	0.251	C	S	.	.	H	α-helix	trans	-58.1	-43.9	175.9	174.7	0	0	0	0	110.8	F226 D227 R235 L383 T411 E413	F226-V231 HydrophobicContact CE2-CG2 4.32Å; F226-V231 HydrophobicContact CZ-CG2 4.47Å; D227-V231 WeakPolarHBondContact O-CG2 3.31Å; D227-V231 PolarHBondContact O-N 2.85Å; D227-V231 VanDerWaalsContact O-N 3.16Å; V231-R235 PolarHBondContact O-N 3.41Å; V231-L383 HydrophobicContact CB-CD2 3.98Å; V231-L383 HydrophobicContact CG1-CB 4.32Å; V231-L383 HydrophobicContact CG1-CD2 3.72Å; V231-T411 HydrophobicContact CG1-CG2 4.04Å; V231-T411 HydrophobicContact CG2-CG2 4.37Å; V231-T411 WeakPolarHBondContact CG2-OG1 3.36Å; V231-E413 HydrophobicContact CG2-CB 4.15Å; V231-E413 HydrophobicContact CG2-CG 4.06Å
232	A	84.9	Confident	76.2	Confident	16 Å²	16	55 Å²	55	13%	0.132	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-43.1	178.3	0	0	0	0	0	112.4	L228 T229 E230 R382 L383	L228-A232 PolarHBondContact O-N 2.66Å; L228-A232 VanDerWaalsContact O-N 3.14Å; T229-A232 PolarHBondContact O-N 3.39Å; E230-A232 VanDerWaalsContact C-N 3.29Å; E230-A232 PolarHBondContact O-N 2.66Å; A232-R382 HydrophobicContact CB-CB 4.42Å; A232-L383 HydrophobicContact CB-CD2 4.18Å
233	T	83.5	Confident	74.4	Confident	86 Å²	86	60.4 Å²	60.4	53%	0.528	31%	0.314	S	S	.	.	H	α-helix	trans	-71.6	-37.9	178.9	52.1	0	0	0	0	113	T229 E230 R235	T229-T233 PolarHBondContact O-N 3.03Å; T229-T233 PolarHBondContact O-OG1 3.22Å; E230-T233 WeakPolarHBondContact CA-OG1 3.27Å; E230-T233 PolarHBondContact O-N 2.87Å; E230-T233 PolarHBondContact O-OG1 2.94Å; T233-R235 VanDerWaalsContact C-N 3.31Å; T233-R235 PolarHBondContact O-N 2.78Å
234	N	79.3	Confident	72.8	Confident	30 Å²	30	65.8 Å²	65.8	16%	0.16	34%	0.342	C	S	.	.	H	α-helix	trans	-68.1	-32.6	-177	-72.1	-0	0	0	0	111.8	E230 D236 S237 I238 E413	E230-N234 VanDerWaalsContact O-CB 3.29Å; E230-N234 WeakPolarHBondContact O-CB 3.34Å; E230-N234 PolarHBondContact O-N 3.5Å; E230-N234 PolarHBondContact O-OD1 2.71Å; E230-N234 PolarHBondContact OE1-ND2 2.8Å; E230-N234 VanDerWaalsContact OE1-ND2 3.13Å; N234-D236 VanDerWaalsContact C-N 3.31Å; N234-D236 PolarHBondContact O-N 3.48Å; N234-S237 WeakPolarHBondContact O-CB 3.34Å; N234-S237 PolarHBondContact O-N 3.17Å; N234-S237 PolarHBondContact O-OG 2.96Å; N234-I238 WeakPolarHBondContact O-CG1 3.44Å; N234-I238 PolarHBondContact O-N 2.81Å; N234-E413 WeakPolarHBondContact CB-OE1 3.23Å; N234-E413 PolarHBondContact ND2-OE1 2.72Å
235	R	73.2	Confident	71.5	Confident	92 Å²	92	68.5 Å²	68.5	35%	0.347	36%	0.358	S	S	.	.	H	α-helix	trans	-51.7	-44.9	178.4	177.2	172.8	166.7	-118.4	19.3	113.3	V231 T233 S237 I238 D381 R382	V231-R235 PolarHBondContact O-N 3.41Å; T233-R235 VanDerWaalsContact C-N 3.31Å; T233-R235 PolarHBondContact O-N 2.78Å; R235-S237 PolarHBondContact O-N 3.26Å; R235-I238 PolarHBondContact O-N 2.81Å; R235-D381 VanDerWaalsContact CZ-O 3.26Å; R235-D381 PolarHBondContact NH1-O 2.7Å; R235-D381 PolarHBondContact NH2-O 2.91Å; R235-R382 VanDerWaalsContact CD-O 3.24Å; R235-R382 WeakPolarHBondContact CD-O 3.04Å; R235-R382 PolarHBondContact NH1-O 2.92Å
236	D	63.7	Low	70.7	Confident	113 Å²	113	68.1 Å²	68.1	60%	0.604	36%	0.358	S	S	*	.	H	α-helix	trans	-69.6	-20.5	-178	-65.5	-16.9	0	0	0	112.5	N234	N234-D236 VanDerWaalsContact C-N 3.31Å; N234-D236 PolarHBondContact O-N 3.48Å
237	S	62.4	Low	70.3	Confident	36 Å²	36	67.8 Å²	67.8	25%	0.252	36%	0.358	S	S	.	.	H	α-helix	trans	-84.1	-30.6	174.8	82.2	0	0	0	0	113.7	N234 R235 G239 R240 K241	N234-S237 WeakPolarHBondContact O-CB 3.34Å; N234-S237 PolarHBondContact O-N 3.17Å; N234-S237 PolarHBondContact O-OG 2.96Å; R235-S237 PolarHBondContact O-N 3.26Å; S237-G239 PolarHBondContact O-N 2.89Å; S237-R240 PolarHBondContact O-N 2.88Å; S237-K241 PolarHBondContact O-N 2.86Å; S237-K241 VanDerWaalsContact O-N 3.15Å
238	I	60.7	Low	69.9	Low	48 Å²	48	66.8 Å²	66.8	25%	0.246	35%	0.353	C	S	.	.	H	α-helix	trans	-61.5	-32.7	-176.1	-70.4	167.2	0	0	0	111.5	N234 R235 R240 T676	N234-I238 WeakPolarHBondContact O-CG1 3.44Å; N234-I238 PolarHBondContact O-N 2.81Å; R235-I238 PolarHBondContact O-N 2.81Å; I238-R240 VanDerWaalsContact C-N 3.34Å; I238-T676 HydrophobicContact CD1-CG2 3.68Å
239	G	52.7	Low	69.6	Low	68 Å²	68	66 Å²	66	70%	0.701	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.4	174.4	0	0	0	0	0	115	S237	S237-G239 PolarHBondContact O-N 2.89Å
240	R	52.3	Low	69.4	Low	185 Å²	185	63.9 Å²	63.9	70%	0.698	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-32.6	-177.5	-61.2	-172.2	-175.1	-165.1	2	113.3	S237 I238 K242 D277	S237-R240 PolarHBondContact O-N 2.88Å; I238-R240 VanDerWaalsContact C-N 3.34Å; R240-K242 VanDerWaalsContact C-N 3.34Å; R240-K242 PolarHBondContact O-N 2.84Å; R240-D277 IonicContact NH1-OD2 2.69Å
241	K	56	Low	69.1	Low	91 Å²	91	63.2 Å²	63.2	40%	0.396	34%	0.335	S	S	.	.			trans	-72.9	79.5	-174.8	-70.2	-178.5	174.3	-176.5	0	112.8	S237 E669	S237-K241 PolarHBondContact O-N 2.86Å; S237-K241 VanDerWaalsContact O-N 3.15Å; K241-E669 IonicContact NZ-OE1 2.76Å; K241-E669 PolarHBondContact NZ-OE1 2.89Å
242	K	52.1	Low	68.8	Low	176 Å²	176	64.7 Å²	64.7	77%	0.765	35%	0.346	S	S	*	.			trans	-76.4	163.8	168.6	-66.5	-176.6	179.7	-179.2	0	111.1	R240 I244	R240-K242 VanDerWaalsContact C-N 3.34Å; R240-K242 PolarHBondContact O-N 2.84Å; K242-I244 WeakPolarHBondContact O-CG1 3.26Å; K242-I244 PolarHBondContact O-N 2.96Å
243	N	53	Low	68.2	Low	161 Å²	161	69.8 Å²	69.8	86%	0.861	37%	0.367	S	S	*	.			trans	-43.8	101.6	-168.4	-60.8	-7.6	0	0	0	115.2
244	I	57.9	Low	67	Low	113 Å²	113	69.5 Å²	69.5	58%	0.579	36%	0.362	S	S	*	.			trans	-85.4	127.7	173.4	-54.4	178.9	0	0	0	109.5	K242 S246	K242-I244 WeakPolarHBondContact O-CG1 3.26Å; K242-I244 PolarHBondContact O-N 2.96Å; I244-S246 PolarHBondContact O-N 3.37Å; I244-S246 PolarHBondContact O-OG 2.88Å
245	T	66.2	Low	65	Low	57 Å²	57	79.5 Å²	79.5	35%	0.35	40%	0.397	S	S	.	.			trans	-59.3	123.5	170.2	-57.5	0	0	0	0	109.6	A250	T245-A250 HydrophobicContact CG2-CB 4.01Å
246	S	73.9	Confident	63.4	Low	21 Å²	21	81.2 Å²	81.2	15%	0.147	42%	0.42	C	S	.	.			trans	-155.1	157	-170	35.8	0	0	0	0	109.8	I244 K670	I244-S246 PolarHBondContact O-N 3.37Å; I244-S246 PolarHBondContact O-OG 2.88Å; S246-K670 PolarHBondContact O-NZ 2.91Å; S246-K670 WeakPolarHBondContact OG-CD 3.32Å; S246-K670 WeakPolarHBondContact OG-CE 3Å; S246-K670 PolarHBondContact OG-NZ 3.42Å
247	G	80.6	Confident	62	Low	4 Å²	4	83.8 Å²	83.8	4%	0.041	43%	0.433	C	S	.	.	S	Bend	trans	78.8	-164.3	-167.2	0	0	0	0	0	112.2	S249 A250 Q603 H604	G247-S249 PolarHBondContact O-N 3.13Å; G247-S249 VanDerWaalsContact O-N 3.12Å; G247-A250 WeakPolarHBondContact O-CB 3.49Å; G247-A250 PolarHBondContact O-N 3.28Å; G247-Q603 WeakPolarHBondContact CA-O 3.2Å; G247-H604 VanDerWaalsContact CA-CD2 3.43Å; G247-H604 WeakPolarHBondContact CA-CD2 3.47Å; G247-H604 WeakPolarHBondContact CA-NE2 3.29Å; G247-H604 PolarHBondContact N-CD2 2.86Å; G247-H604 PolarHBondContact N-NE2 2.81Å
248	A	77.3	Confident	60.6	Low	0 Å²	0	86 Å²	86	0%	0	45%	0.454	C	S	.	.	H	α-helix	trans	-53	-34.7	-178.9	0	0	0	0	0	113.8	A250 A251 S252 F301 I598 S600 Q603 F606	A248-A250 PolarHBondContact O-N 2.98Å; A248-A250 VanDerWaalsContact O-N 3.13Å; A248-A251 PolarHBondContact O-N 2.69Å; A248-A251 VanDerWaalsContact O-N 3.1Å; A248-S252 PolarHBondContact O-N 3.33Å; A248-F301 HydrophobicContact CB-CZ 4.42Å; A248-I598 CarbonylContact C-O 3.57Å; A248-I598 HydrophobicContact CB-CB 3.93Å; A248-I598 HydrophobicContact CB-CG2 3.96Å; A248-I598 WeakPolarHBondContact CB-O 3.31Å; A248-S600 PolarHBondContact N-O 3.38Å; A248-Q603 PolarHBondContact N-O 2.82Å; A248-F606 HydrophobicContact CB-CE2 4.15Å; A248-F606 HydrophobicContact CB-CZ 3.99Å
249	S	80.6	Confident	59.5	Low	8 Å²	8	93.2 Å²	93.2	6%	0.056	49%	0.487	C	S	.	.	H	α-helix	trans	-52.9	-33.6	173.3	-76.9	0	0	0	0	113.5	G247 S252 Q253 S600 H601	G247-S249 PolarHBondContact O-N 3.13Å; G247-S249 VanDerWaalsContact O-N 3.12Å; S249-S252 WeakPolarHBondContact CA-OG 3.48Å; S249-S252 PolarHBondContact O-N 3.4Å; S249-S252 PolarHBondContact O-OG 2.86Å; S249-Q253 WeakPolarHBondContact O-CG 3.48Å; S249-S600 WeakPolarHBondContact CB-O 3.39Å; S249-S600 PolarHBondContact N-O 3.34Å; S249-S600 PolarHBondContact OG-N 2.73Å; S249-S600 PolarHBondContact OG-O 2.85Å; S249-H601 WeakPolarHBondContact CB-ND1 3.41Å; S249-H601 PolarHBondContact OG-N 3.3Å; S249-H601 PolarHBondContact OG-ND1 2.84Å
250	A	78.4	Confident	58.3	Low	14 Å²	14	96 Å²	96	12%	0.116	49%	0.49	C	S	.	.	H	α-helix	trans	-69.8	-45.1	178.1	0	0	0	0	0	111.7	T245 G247 A248 S252 Q253	T245-A250 HydrophobicContact CG2-CB 4.01Å; G247-A250 WeakPolarHBondContact O-CB 3.49Å; G247-A250 PolarHBondContact O-N 3.28Å; A248-A250 PolarHBondContact O-N 2.98Å; A248-A250 VanDerWaalsContact O-N 3.13Å; A250-S252 VanDerWaalsContact C-N 3.27Å; A250-S252 PolarHBondContact O-N 2.97Å; A250-Q253 PolarHBondContact O-N 2.85Å
251	A	78.1	Confident	57.1	Low	5 Å²	5	93.5 Å²	93.5	4%	0.041	50%	0.496	C	S	.	.	H	α-helix	trans	-61.2	-36.4	174	0	0	0	0	0	112.3	A248 Q253 C298 F301 K596	A248-A251 PolarHBondContact O-N 2.69Å; A248-A251 VanDerWaalsContact O-N 3.1Å; A251-Q253 VanDerWaalsContact C-N 3.27Å; A251-Q253 PolarHBondContact O-N 3.48Å; A251-C298 VanDerWaalsContact CB-SG 3.52Å; A251-F301 HydrophobicContact CB-CD2 4.19Å; A251-F301 HydrophobicContact CB-CE2 4.22Å; A251-K596 HydrophobicContact CB-CG 4.45Å
252	S	77.2	Confident	56	Low	35 Å²	35	95.5 Å²	95.5	25%	0.245	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-12	-177.9	79.3	0	0	0	0	115.6	A248 S249 A250	A248-S252 PolarHBondContact O-N 3.33Å; S249-S252 WeakPolarHBondContact CA-OG 3.48Å; S249-S252 PolarHBondContact O-N 3.4Å; S249-S252 PolarHBondContact O-OG 2.86Å; A250-S252 VanDerWaalsContact C-N 3.27Å; A250-S252 PolarHBondContact O-N 2.97Å
253	Q	72.6	Confident	54.9	Low	122 Å²	122	91.8 Å²	91.8	57%	0.57	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-12.7	-173.9	-76.9	177.5	9	0	0	114.4	S249 A250 A251 R255	S249-Q253 WeakPolarHBondContact O-CG 3.48Å; A250-Q253 PolarHBondContact O-N 2.85Å; A251-Q253 VanDerWaalsContact C-N 3.27Å; A251-Q253 PolarHBondContact O-N 3.48Å; Q253-R255 PolarHBondContact O-N 2.84Å
254	L	58	Low	53.7	Low	81 Å²	81	89.6 Å²	89.6	42%	0.424	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-80	117.3	178.5	-69.2	168.4	0	0	0	111.1	P299	L254-P299 HydrophobicContact CD1-CB 3.51Å; L254-P299 HydrophobicContact CD1-CG 3.93Å
255	R	38.9	Very low	52.8	Low	240 Å²	240	90.6 Å²	90.6	91%	0.906	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-77.7	136.9	170.8	-71.7	-175.9	176.9	177.9	-0	110.3	Q253	Q253-R255 PolarHBondContact O-N 2.84Å
256	P	38.3	Very low	51	Low	128 Å²	128	92.4 Å²	92.4	83%	0.831	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-59.6	136.5	166.9	-21.3	32.9	0	0	0	110.9	A258	P256-A258 PolarHBondContact O-N 3.22Å
257	L	34.6	Very low	49	Very low	166 Å²	166	100.8 Å²	100.8	87%	0.869	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-76.5	121.2	172.6	-160.2	75	0	0	0	109
258	A	32.4	Very low	46.5	Very low	83 Å²	83	104.9 Å²	104.9	69%	0.686	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-66.7	143.8	173.5	0	0	0	0	0	110.4	P256 T260	P256-A258 PolarHBondContact O-N 3.22Å; A258-T260 PolarHBondContact O-N 3.02Å
259	Q	38.7	Very low	44.1	Very low	200 Å²	200	108.8 Å²	108.8	94%	0.935	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-57.4	120.9	-174.5	-67.5	171.7	-25.3	0	0	112.3
260	T	27.5	Very low	41.7	Very low	126 Å²	126	112.7 Å²	112.7	77%	0.773	71%	0.712	S	S	*	*			trans	-124.8	128.6	163.2	50.8	0	0	0	0	109.4	A258	A258-T260 PolarHBondContact O-N 3.02Å
261	T	27.6	Very low	39.3	Very low	133 Å²	133	115.9 Å²	115.9	82%	0.816	75%	0.746	S	S	*	*			trans	-66.7	146.1	-178.5	29.5	0	0	0	0	112.2
262	P	31.4	Very low	37.1	Very low	132 Å²	132	122 Å²	122	86%	0.857	79%	0.789	S	S	*	*			trans	-68.5	135.4	-178.8	28.6	-34.9	0	0	0	111.7
263	A	29.2	Very low	35	Very low	99 Å²	99	124 Å²	124	82%	0.818	82%	0.815	S	S	*	*			trans	-108.4	143.8	170.2	0	0	0	0	0	110.4
264	S	29.3	Very low	32.8	Very low	114 Å²	114	121.8 Å²	121.8	80%	0.797	83%	0.825	S	S	*	*			trans	-67.1	151.4	-171	-54.8	0	0	0	0	114.2
265	P	38.1	Very low	31.3	Very low	134 Å²	134	124.7 Å²	124.7	87%	0.87	84%	0.841	S	S	*	*			trans	-77.7	140.3	-174.7	31.2	-35.9	0	0	0	113.5
266	A	29.2	Very low	31	Very low	95 Å²	95	117.6 Å²	117.6	79%	0.785	83%	0.834	S	S	*	*			trans	-142	109.3	171	0	0	0	0	0	112.1
267	Q	31.4	Very low	30.8	Very low	198 Å²	198	117.9 Å²	117.9	93%	0.925	83%	0.829	S	S	*	*			trans	26.7	111.6	154	-64	179.5	-15.3	0	0	120.8
268	G	26.9	Very low	30.7	Very low	89 Å²	89	116 Å²	116	92%	0.918	82%	0.819	S	S	*	*				98.1	121.1	111.7	0	0	0	0	0	118.9
269	G	28.3	Very low	30.5	Very low	82 Å²	82	119.7 Å²	119.7	85%	0.845	82%	0.822	S	S	*	*			trans	158	90.3	169.2	0	0	0	0	0	112.4
270	G	30.2	Very low	30.5	Very low	90 Å²	90	119.4 Å²	119.4	93%	0.928	82%	0.821	S	S	*	*			trans	-89	137.7	179.5	0	0	0	0	0	113
271	G	27.8	Very low	31	Very low	81 Å²	81	122 Å²	122	84%	0.835	82%	0.824	S	S	*	*			trans	-147.7	113.6	169.6	0	0	0	0	0	109.9
272	S	31.8	Very low	31.2	Very low	134 Å²	134	120.3 Å²	120.3	94%	0.937	82%	0.818	S	S	*	*			trans	-97.7	130.4	-178.4	-171.9	0	0	0	0	110.8
273	G	32.9	Very low	31.9	Very low	76 Å²	76	121.7 Å²	121.7	78%	0.784	82%	0.817	S	S	*	*			trans	-179.8	48.2	-174.6	0	0	0	0	0	112.9
274	G	27	Very low	33.3	Very low	77 Å²	77	123.7 Å²	123.7	79%	0.794	81%	0.813	S	S	*	*			trans	-83.5	118.6	-176.2	0	0	0	0	0	113.7
275	N	26.9	Very low	35.4	Very low	141 Å²	141	119.3 Å²	119.3	75%	0.754	78%	0.781	S	S	*	*			trans	-74.5	135.7	156.2	-77.5	-28.3	0	0	0	108.9	D277	N275-D277 PolarHBondContact O-N 3.32Å
276	A	32.3	Very low	37.1	Very low	91 Å²	91	120.8 Å²	120.8	75%	0.752	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	3.3	-169.5	0	0	0	0	0	115.8
277	D	34.5	Very low	39.4	Very low	135 Å²	135	117 Å²	117	72%	0.722	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-15	-175.7	-85.2	-9.1	0	0	0	114.2	R240 N275	R240-D277 IonicContact NH1-OD2 2.69Å; N275-D277 PolarHBondContact O-N 3.32Å
278	D	31.3	Very low	41.8	Very low	126 Å²	126	110.7 Å²	110.7	67%	0.674	72%	0.72	S	S	*	*	S	Bend	trans	-98.5	1.7	-173.9	-74.2	-50.9	0	0	0	114.9	E280	D278-E280 PolarHBondContact O-N 3.41Å
279	Q	29	Very low	44.3	Very low	161 Å²	161	109.1 Å²	109.1	75%	0.752	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-77	-15.6	-167.3	-160.1	164.9	3.6	0	0	114.9	Q281	Q279-Q281 PolarHBondContact O-N 3.44Å
280	E	38	Very low	47	Very low	193 Å²	193	106.9 Å²	106.9	90%	0.902	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-74.8	-15	178.8	-82.4	-162.5	131.1	0	0	114.9	D278	D278-E280 PolarHBondContact O-N 3.41Å
281	Q	37.7	Very low	49.6	Very low	180 Å²	180	107.2 Å²	107.2	84%	0.841	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-91	4.6	-179.9	-67.9	-170.8	5.4	0	0	114.2	Q279	Q279-Q281 PolarHBondContact O-N 3.44Å
282	S	32.3	Very low	52.4	Low	99 Å²	99	105.5 Å²	105.5	69%	0.692	62%	0.624	S	S	*	*	S	Bend	trans	-98	-4.9	-173.4	-168	0	0	0	0	115.1
283	L	45.1	Very low	54.9	Low	160 Å²	160	105 Å²	105	84%	0.838	61%	0.607	S	S	*	*	S	Bend	trans	-104.7	109.4	170.7	-69.9	178.1	0	0	0	109.8	D285	L283-D285 PolarHBondContact O-N 2.94Å
284	L	58.8	Low	57.5	Low	141 Å²	141	101.5 Å²	101.5	74%	0.738	57%	0.57	S	S	*	*			trans	-67.4	103.9	170.4	-66.7	176.4	0	0	0	108.9	E286	L284-E286 WeakPolarHBondContact O-CG 3.21Å; L284-E286 PolarHBondContact O-N 3.02Å
285	D	74	Confident	60.5	Low	22 Å²	22	97.9 Å²	97.9	12%	0.118	53%	0.532	C	S	.	.			trans	-73.5	88.5	177.3	168.1	20.7	0	0	0	109.3	L283 G287 P299 H300 R302 K629	L283-D285 PolarHBondContact O-N 2.94Å; D285-G287 PolarHBondContact O-N 3.08Å; D285-P299 WeakPolarHBondContact O-CA 3.26Å; D285-P299 WeakPolarHBondContact O-CB 3.46Å; D285-P299 WeakPolarHBondContact O-CG 3.28Å; D285-H300 VanDerWaalsContact OD2-CA 3.28Å; D285-H300 WeakPolarHBondContact OD2-CA 3.27Å; D285-H300 IonicContact OD2-CE1 2.69Å; D285-H300 IonicContact OD2-CG 2.6Å; D285-H300 PolarHBondContact OD2-N 2.98Å; D285-H300 VanDerWaalsContact OD2-N 3.16Å; D285-H300 IonicContact OD2-ND1 2.72Å; D285-H300 PolarHBondContact OD2-ND1 3.45Å; D285-R302 IonicContact OD1-CZ 2.64Å; D285-R302 VanDerWaalsContact OD1-CZ 3.29Å; D285-R302 IonicContact OD1-NH1 3.46Å; D285-R302 PolarHBondContact OD1-NH1 3.02Å; D285-R302 IonicContact OD1-NH2 3.41Å; D285-R302 PolarHBondContact OD1-NH2 3.14Å; D285-K629 VanDerWaalsContact OD2-CD 3.29Å; D285-K629 WeakPolarHBondContact OD2-CD 3.25Å; D285-K629 WeakPolarHBondContact OD2-CE 3.29Å; D285-K629 IonicContact OD2-NZ 3.48Å; D285-K629 PolarHBondContact OD2-NZ 3.47Å
286	E	73.1	Confident	63.5	Low	166 Å²	166	94.4 Å²	94.4	78%	0.776	51%	0.513	S	S	*	.			trans	-67.2	-17.8	-173	-55.5	-166.9	135.3	0	0	113.8	L284 P299	L284-E286 WeakPolarHBondContact O-CG 3.21Å; L284-E286 PolarHBondContact O-N 3.02Å; E286-P299 WeakPolarHBondContact O-CD 3.15Å
287	G	78.7	Confident	66.2	Low	16 Å²	16	91 Å²	91	17%	0.165	48%	0.484	C	S	.	.			trans	131.7	-153.7	-173.5	0	0	0	0	0	110.6	D285 C298 R302	D285-G287 PolarHBondContact O-N 3.08Å; G287-C298 WeakPolarHBondContact CA-O 3.31Å; G287-R302 PolarHBondContact O-NH1 2.94Å; G287-R302 PolarHBondContact O-NH2 3.22Å
288	D	81.6	Confident	68.7	Low	65 Å²	65	84.5 Å²	84.5	35%	0.348	45%	0.45	S	S	.	.			trans	-110	-12.9	165.4	48.4	18.1	0	0	0	113.7	N290 R302 N303	D288-N290 VanDerWaalsContact C-N 3.29Å; D288-N290 PolarHBondContact OD1-N 3.08Å; D288-N290 VanDerWaalsContact OD1-N 3.07Å; D288-R302 WeakPolarHBondContact OD2-CA 3.48Å; D288-R302 WeakPolarHBondContact OD2-CD 3.33Å; D288-N303 PolarHBondContact OD2-N 3.06Å
289	G	80.1	Confident	71.3	Confident	55 Å²	55	79.3 Å²	79.3	57%	0.567	42%	0.422	S	S	*	.			trans	75.3	18	-175.4	0	0	0	0	0	113.5	D291 S297	G289-D291 PolarHBondContact O-N 3.33Å; G289-S297 PolarHBondContact N-OG 2.81Å; G289-S297 VanDerWaalsContact N-OG 3.14Å
290	N	83.3	Confident	74.1	Confident	35 Å²	35	74.1 Å²	74.1	19%	0.187	40%	0.398	C	S	.	.			trans	-98.2	78.6	175.9	-171.4	32.9	0	0	0	110.1	D288 N303 T305	D288-N290 VanDerWaalsContact C-N 3.29Å; D288-N290 PolarHBondContact OD1-N 3.08Å; D288-N290 VanDerWaalsContact OD1-N 3.07Å; N290-N303 HydrophobicContact CB-CB 4.23Å; N290-N303 PolarHBondContact ND2-O 3.03Å; N290-N303 VanDerWaalsContact O-CB 3.29Å; N290-N303 WeakPolarHBondContact O-CB 3.32Å; N290-N303 PolarHBondContact O-ND2 2.79Å; N290-T305 WeakPolarHBondContact ND2-CG2 3.4Å; N290-T305 PolarHBondContact ND2-OG1 3.48Å; N290-T305 PolarHBondContact OD1-OG1 2.81Å
291	D	86	Confident	76.6	Confident	97 Å²	97	64.9 Å²	64.9	52%	0.519	36%	0.355	S	S	.	.			trans	-102.9	155.7	174.1	53.9	-84.9	0	0	0	113.9	G289 L295 L296	G289-D291 PolarHBondContact O-N 3.33Å; D291-L295 WeakPolarHBondContact CA-O 3.41Å; D291-L296 HydrophobicContact CB-CD2 4.49Å
292	N	85.5	Confident	79.2	Confident	45 Å²	45	59.3 Å²	59.3	24%	0.241	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-153	-176.3	172.6	71.1	13.1	0	0	0	111.1	L294 L295	N292-L294 PolarHBondContact O-N 3.43Å; N292-L294 VanDerWaalsContact O-N 3.1Å; N292-L294 WeakPolarHBondContact OD1-CA 3.47Å; N292-L294 WeakPolarHBondContact OD1-CB 3.36Å; N292-L294 PolarHBondContact OD1-N 2.75Å; N292-L295 PolarHBondContact N-O 3.12Å; N292-L295 PolarHBondContact O-N 3.43Å; N292-L295 PolarHBondContact OD1-N 3.45Å
293	E	85.4	Confident	82	Confident	124 Å²	124	54.9 Å²	54.9	58%	0.579	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.6	179.8	-55.4	170.7	119.7	0	0	114.5	P592 R622	E293-P592 WeakPolarHBondContact O-CG 3.36Å; E293-R622 IonicContact OE2-CZ 3.84Å; E293-R622 IonicContact OE2-NH1 3.49Å; E293-R622 PolarHBondContact OE2-NH1 3.3Å; E293-R622 IonicContact OE2-NH2 2.79Å; E293-R622 PolarHBondContact OE2-NH2 3.42Å
294	L	86.9	Confident	84.2	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.016	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-33.4	-179.1	-50	-175.4	0	0	0	112	N292 Q586 F593 I608 Q610 R622 A624	N292-L294 PolarHBondContact O-N 3.43Å; N292-L294 VanDerWaalsContact O-N 3.1Å; N292-L294 WeakPolarHBondContact OD1-CA 3.47Å; N292-L294 WeakPolarHBondContact OD1-CB 3.36Å; N292-L294 PolarHBondContact OD1-N 2.75Å; L294-Q586 PolarHBondContact O-NE2 3.44Å; L294-Q586 VanDerWaalsContact O-NE2 3.1Å; L294-F593 PolarHBondContact O-N 3.18Å; L294-I608 HydrophobicContact CB-CG2 4.11Å; L294-Q610 HydrophobicContact CD2-CB 3.63Å; L294-Q610 VanDerWaalsContact CD2-CD 3.42Å; L294-Q610 HydrophobicContact CD2-CG 4.15Å; L294-R622 HydrophobicContact CD1-CB 3.97Å; L294-A624 HydrophobicContact CB-CB 4.23Å; L294-A624 HydrophobicContact CD1-CB 3.97Å
295	L	89.9	Confident	85.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-155.2	126	-155.7	168.8	63.3	0	0	0	111.6	D291 N292 N303 F593 I608 A624 V625 T626	D291-L295 WeakPolarHBondContact CA-O 3.41Å; N292-L295 PolarHBondContact N-O 3.12Å; N292-L295 PolarHBondContact O-N 3.43Å; N292-L295 PolarHBondContact OD1-N 3.45Å; L295-N303 HydrophobicContact CD2-CB 3.88Å; L295-F593 WeakPolarHBondContact CA-O 3.46Å; L295-F593 HydrophobicContact CD1-CD1 4.17Å; L295-I608 HydrophobicContact CD1-CD1 4.19Å; L295-I608 HydrophobicContact CD2-CD1 4.38Å; L295-A624 HydrophobicContact CB-CB 4.21Å; L295-A624 HydrophobicContact CD2-CB 3.85Å; L295-V625 WeakPolarHBondContact CD2-O 3.36Å; L295-T626 HydrophobicContact CD1-CG2 3.68Å; L295-T626 HydrophobicContact CD2-CG2 4.46Å
296	L	90.2	Very high	85.7	Confident	68 Å²	68	40.1 Å²	40.1	36%	0.356	22%	0.218	S	C	.	.			trans	-94.9	148.2	178	-54	176.2	0	0	0	113	D291 N303 P592 F593	D291-L296 HydrophobicContact CB-CD2 4.49Å; L296-N303 PolarHBondContact O-ND2 3.37Å; L296-P592 HydrophobicContact CD1-CB 4.18Å; L296-P592 HydrophobicContact CD2-CB 3.67Å; L296-P592 HydrophobicContact CD2-CG 4.31Å; L296-P592 HydrophobicContact CG-CB 3.67Å; L296-F593 PolarHBondContact N-O 3.45Å
297	S	88.9	Confident	85.8	Confident	19 Å²	19	34.4 Å²	34.4	13%	0.133	20%	0.203	C	C	.	.			trans	-57.2	141.5	172.5	175.4	0	0	0	0	111.6	G289 K596	G289-S297 PolarHBondContact N-OG 2.81Å; G289-S297 VanDerWaalsContact N-OG 3.14Å; S297-K596 PolarHBondContact O-NZ 2.98Å
298	C	87.4	Confident	85.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.			trans	-146.8	128.5	-168.5	-178.6	0	0	0	0	113.1	A251 G287 F301 P595	A251-C298 VanDerWaalsContact CB-SG 3.52Å; G287-C298 WeakPolarHBondContact CA-O 3.31Å; C298-F301 HydrophobicContact CB-CB 3.96Å; C298-F301 PolarHBondContact O-N 3.23Å; C298-F301 VanDerWaalsContact O-N 3.15Å; C298-F301 VanDerWaalsContact O-O 3.06Å; C298-P595 HydrophobicContact CB-CG 4.4Å
299	P	85.7	Confident	85.1	Confident	16 Å²	16	37.9 Å²	37.9	10%	0.104	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	140.6	165.7	-33.5	40	0	0	0	113.3	L254 D285 E286 F301	L254-P299 HydrophobicContact CD1-CB 3.51Å; L254-P299 HydrophobicContact CD1-CG 3.93Å; D285-P299 WeakPolarHBondContact O-CA 3.26Å; D285-P299 WeakPolarHBondContact O-CB 3.46Å; D285-P299 WeakPolarHBondContact O-CG 3.28Å; E286-P299 WeakPolarHBondContact O-CD 3.15Å; P299-F301 PolarHBondContact O-N 3.01Å
300	H	86.8	Confident	84.4	Confident	52 Å²	52	35.8 Å²	35.8	24%	0.241	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	5	179.9	-47.1	-29.7	0	0	0	115.4	D285 S628 K629	D285-H300 VanDerWaalsContact OD2-CA 3.28Å; D285-H300 WeakPolarHBondContact OD2-CA 3.27Å; D285-H300 IonicContact OD2-CE1 2.69Å; D285-H300 IonicContact OD2-CG 2.6Å; D285-H300 PolarHBondContact OD2-N 2.98Å; D285-H300 VanDerWaalsContact OD2-N 3.16Å; D285-H300 IonicContact OD2-ND1 2.72Å; D285-H300 PolarHBondContact OD2-ND1 3.45Å; H300-S628 CarbonylContact O-C 3.46Å; H300-S628 WeakPolarHBondContact O-CA 3.33Å; H300-K629 PolarHBondContact O-N 2.81Å
301	F	91.3	Very high	83.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	159.9	174.6	-83.3	-103.3	0	0	0	110.4	A248 A251 C298 P299 P595 H604 F606 R627 S628	A248-F301 HydrophobicContact CB-CZ 4.42Å; A251-F301 HydrophobicContact CB-CD2 4.19Å; A251-F301 HydrophobicContact CB-CE2 4.22Å; C298-F301 HydrophobicContact CB-CB 3.96Å; C298-F301 PolarHBondContact O-N 3.23Å; C298-F301 VanDerWaalsContact O-N 3.15Å; C298-F301 VanDerWaalsContact O-O 3.06Å; P299-F301 PolarHBondContact O-N 3.01Å; F301-P595 HydrophobicContact CB-CG 4.36Å; F301-P595 HydrophobicContact CD1-CB 3.98Å; F301-P595 HydrophobicContact CD1-CG 3.63Å; F301-P595 HydrophobicContact CD2-CB 3.91Å; F301-P595 HydrophobicContact CD2-CG 4.28Å; F301-P595 HydrophobicContact CE1-CB 3.93Å; F301-P595 HydrophobicContact CE1-CG 3.93Å; F301-P595 HydrophobicContact CE2-CB 3.86Å; F301-P595 HydrophobicContact CG-CB 3.98Å; F301-P595 HydrophobicContact CG-CG 3.83Å; F301-P595 HydrophobicContact CZ-CB 3.87Å; F301-P595 HydrophobicContact CZ-CG 4.38Å; F301-H604 WeakPolarHBondContact CE1-O 3.48Å; F301-F606 HydrophobicContact CE1-CD2 4.09Å; F301-F606 AromaticContact CE1-CE2 3.99Å; F301-F606 HydrophobicContact CE1-CE2 3.99Å; F301-F606 HydrophobicContact CZ-CE2 4.18Å; F301-R627 CarbonylContact C-O 3.5Å; F301-R627 WeakPolarHBondContact CA-O 3.48Å; F301-R627 WeakPolarHBondContact CD1-O 3.22Å; F301-S628 VanDerWaalsContact CZ-OG 3.31Å; F301-S628 WeakPolarHBondContact CZ-OG 3.26Å
302	R	91.9	Very high	81.8	Confident	62 Å²	62	36.7 Å²	36.7	23%	0.234	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.7	177.8	-62.9	-63.8	-178.6	-94.6	10.2	109.4	D285 G287 D288 T626 R627 K629	D285-R302 IonicContact OD1-CZ 2.64Å; D285-R302 VanDerWaalsContact OD1-CZ 3.29Å; D285-R302 IonicContact OD1-NH1 3.46Å; D285-R302 PolarHBondContact OD1-NH1 3.02Å; D285-R302 IonicContact OD1-NH2 3.41Å; D285-R302 PolarHBondContact OD1-NH2 3.14Å; G287-R302 PolarHBondContact O-NH1 2.94Å; G287-R302 PolarHBondContact O-NH2 3.22Å; D288-R302 WeakPolarHBondContact OD2-CA 3.48Å; D288-R302 WeakPolarHBondContact OD2-CD 3.33Å; R302-T626 WeakPolarHBondContact O-CA 3.26Å; R302-R627 PolarHBondContact N-O 2.8Å; R302-R627 PolarHBondContact O-N 3.45Å; R302-K629 HydrophobicContact CG-CB 4.35Å
303	N	92.5	Very high	80.3	Confident	6 Å²	6	35.2 Å²	35.2	3%	0.032	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.7	-167.6	-67.9	-7.3	0	0	0	111.1	D288 N290 L295 L296 V625 T626	D288-N303 PolarHBondContact OD2-N 3.06Å; N290-N303 HydrophobicContact CB-CB 4.23Å; N290-N303 PolarHBondContact ND2-O 3.03Å; N290-N303 VanDerWaalsContact O-CB 3.29Å; N290-N303 WeakPolarHBondContact O-CB 3.32Å; N290-N303 PolarHBondContact O-ND2 2.79Å; L295-N303 HydrophobicContact CD2-CB 3.88Å; L296-N303 PolarHBondContact O-ND2 3.37Å; N303-V625 CarbonylContact C-O 3.47Å; N303-V625 WeakPolarHBondContact CA-O 3.2Å; N303-T626 WeakPolarHBondContact OD1-CB 3.46Å; N303-T626 PolarHBondContact OD1-OG1 3.16Å
304	E	90.4	Very high	78.6	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115.8	171.5	-53.1	171	-168.8	0	0	107.6	E308 A624 V625 R627 L633 K657	E304-E308 WeakPolarHBondContact CA-OE1 3.4Å; E304-E308 HydrophobicContact CB-CG 4.34Å; E304-E308 HydrophobicContact CG-CG 4.44Å; E304-A624 CarbonylContact O-C 3.49Å; E304-A624 WeakPolarHBondContact O-CA 3.35Å; E304-V625 HydrophobicContact CB-CB 4.18Å; E304-V625 PolarHBondContact N-O 3.34Å; E304-V625 PolarHBondContact O-N 3.03Å; E304-R627 WeakPolarHBondContact OE1-CD 3.43Å; E304-R627 IonicContact OE1-CZ 2.7Å; E304-R627 IonicContact OE1-NE 2.84Å; E304-R627 PolarHBondContact OE1-NE 3.42Å; E304-R627 IonicContact OE1-NH2 3.29Å; E304-L633 HydrophobicContact CG-CD2 4.16Å; E304-L633 WeakPolarHBondContact OE1-CD2 3.2Å; E304-K657 IonicContact OE2-NZ 2.77Å; E304-K657 PolarHBondContact OE2-NZ 3.37Å
305	T	85.2	Confident	76.9	Confident	12 Å²	12	36.6 Å²	36.6	7%	0.074	20%	0.204	C	C	.	.			trans	-120	-3.8	-171.9	53.8	0	0	0	0	112.8	N290 E308 R640	N290-T305 WeakPolarHBondContact ND2-CG2 3.4Å; N290-T305 PolarHBondContact ND2-OG1 3.48Å; N290-T305 PolarHBondContact OD1-OG1 2.81Å; T305-E308 PolarHBondContact N-OE1 3.23Å; T305-E308 PolarHBondContact OG1-OE1 3.5Å; T305-R640 PolarHBondContact OG1-NH2 3.12Å
306	G	78.6	Confident	74.5	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	108.4	140.4	-177.8	0	0	0	0	0	112.3	E308 F638 P639 R640	G306-E308 VanDerWaalsContact C-OE2 3.25Å; G306-E308 WeakPolarHBondContact CA-OE2 3.31Å; G306-E308 PolarHBondContact N-OE1 2.98Å; G306-E308 PolarHBondContact N-OE2 2.96Å; G306-F638 CarbonylContact C-O 3.54Å; G306-F638 WeakPolarHBondContact CA-O 3.43Å; G306-P639 WeakPolarHBondContact CA-O 3.47Å; G306-R640 WeakPolarHBondContact O-CB 3.34Å; G306-R640 PolarHBondContact O-NE 2.89Å; G306-R640 VanDerWaalsContact O-NE 3.16Å; G306-R640 PolarHBondContact O-NH2 2.75Å
307	G	74.9	Confident	72	Confident	46 Å²	46	39.8 Å²	39.8	47%	0.474	24%	0.237	S	C	.	.			trans	88.4	9.9	-175.5	0	0	0	0	0	114.1	F638	G307-F638 PolarHBondContact N-O 2.22Å
308	E	79.6	Confident	69.1	Low	34 Å²	34	43.4 Å²	43.4	16%	0.159	26%	0.262	C	S	.	.			trans	-71.1	129.8	171.9	-59.7	72.6	-156.8	0	0	110.5	E304 T305 G306	E304-E308 WeakPolarHBondContact CA-OE1 3.4Å; E304-E308 HydrophobicContact CB-CG 4.34Å; E304-E308 HydrophobicContact CG-CG 4.44Å; T305-E308 PolarHBondContact N-OE1 3.23Å; T305-E308 PolarHBondContact OG1-OE1 3.5Å; G306-E308 VanDerWaalsContact C-OE2 3.25Å; G306-E308 WeakPolarHBondContact CA-OE2 3.31Å; G306-E308 PolarHBondContact N-OE1 2.98Å; G306-E308 PolarHBondContact N-OE2 2.96Å
309	E	67.6	Low	66.5	Low	121 Å²	121	55 Å²	55	57%	0.565	31%	0.306	S	S	*	.			trans	-104	136.1	173.9	-70.8	-154.5	-159.2	0	0	112.9	V311 R315	E309-V311 PolarHBondContact O-N 3.3Å; E309-V311 VanDerWaalsContact O-N 3.14Å; E309-R315 IonicContact OE2-NH1 3.51Å
310	Q	64.3	Low	63.8	Low	10 Å²	10	58.4 Å²	58.4	5%	0.047	33%	0.326	C	S	.	.			trans	-74.1	100.8	172.1	-171.5	178.7	47.6	0	0	109	G312 R315 D331 L637	Q310-G312 PolarHBondContact O-N 2.84Å; Q310-R315 VanDerWaalsContact O-CD 3.28Å; Q310-R315 WeakPolarHBondContact O-CD 3.5Å; Q310-R315 PolarHBondContact O-NE 2.85Å; Q310-D331 PolarHBondContact NE2-OD2 2.79Å; Q310-L637 HydrophobicContact CB-CD1 3.88Å
311	V	57.3	Low	61.2	Low	132 Å²	132	63.1 Å²	63.1	80%	0.8	35%	0.348	S	S	*	.			trans	-50	125.4	178.1	-177.9	0	0	0	0	110.6	E309	E309-V311 PolarHBondContact O-N 3.3Å; E309-V311 VanDerWaalsContact O-N 3.14Å
312	G	56.6	Low	58.4	Low	19 Å²	19	70.9 Å²	70.9	20%	0.196	39%	0.389	C	S	.	.			trans	-170.4	149.7	-176.6	0	0	0	0	0	113.3	Q310 G314 R315 V771	Q310-G312 PolarHBondContact O-N 2.84Å; G312-G314 PolarHBondContact O-N 3.17Å; G312-R315 PolarHBondContact O-N 2.75Å; G312-V771 WeakPolarHBondContact CA-O 3.48Å
313	L	55.6	Low	55.5	Low	15 Å²	15	69.5 Å²	69.5	8%	0.079	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	130.3	-178.7	-77.3	156.8	0	0	0	111.6	V735 F749 L762 V771 F772 V805	L313-V735 HydrophobicContact CD1-CB 4.46Å; L313-V735 HydrophobicContact CD1-CG1 3.75Å; L313-V735 HydrophobicContact CD1-CG2 4.46Å; L313-V735 HydrophobicContact CD2-CG1 3.56Å; L313-V735 HydrophobicContact CG-CG1 4.32Å; L313-F749 HydrophobicContact CD1-CE2 4.34Å; L313-F749 HydrophobicContact CD1-CZ 4.19Å; L313-F749 HydrophobicContact CD2-CE1 4.44Å; L313-F749 HydrophobicContact CD2-CZ 3.78Å; L313-F749 HydrophobicContact CG-CZ 4.02Å; L313-L762 HydrophobicContact CD1-CB 4.39Å; L313-L762 HydrophobicContact CD1-CD1 3.9Å; L313-V771 HydrophobicContact CD1-CB 4.1Å; L313-V771 HydrophobicContact CD1-CG2 3.71Å; L313-V771 PolarHBondContact N-O 2.76Å; L313-F772 HydrophobicContact CB-CB 4.16Å; L313-F772 HydrophobicContact CB-CD2 4.46Å; L313-F772 HydrophobicContact CD1-CB 4.11Å; L313-V805 HydrophobicContact CD1-CG1 4.49Å
314	G	48.2	Very low	53.1	Low	32 Å²	32	73.4 Å²	73.4	33%	0.33	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	2.1	177.4	0	0	0	0	0	115.2	G312 S316	G312-G314 PolarHBondContact O-N 3.17Å; G314-S316 PolarHBondContact O-N 2.71Å; G314-S316 VanDerWaalsContact O-N 3.13Å
315	R	52.1	Low	50.6	Low	123 Å²	123	78.4 Å²	78.4	46%	0.464	45%	0.447	S	S	.	.			trans	-77.9	90	168.7	-73.6	-174.3	172.3	-136.2	3.6	110.9	E309 Q310 G312	E309-R315 IonicContact OE2-NH1 3.51Å; Q310-R315 VanDerWaalsContact O-CD 3.28Å; Q310-R315 WeakPolarHBondContact O-CD 3.5Å; Q310-R315 PolarHBondContact O-NE 2.85Å; G312-R315 PolarHBondContact O-N 2.75Å
316	S	39.9	Very low	48.8	Very low	51 Å²	51	81.2 Å²	81.2	36%	0.357	46%	0.461	S	S	.	.			trans	-82	149	156.7	-176.6	0	0	0	0	109.4	G314 C318	G314-S316 PolarHBondContact O-N 2.71Å; G314-S316 VanDerWaalsContact O-N 3.13Å; S316-C318 PolarHBondContact O-N 3.4Å
317	A	36.8	Very low	48	Very low	84 Å²	84	84.7 Å²	84.7	69%	0.694	47%	0.474	S	S	*	.			trans	-74.9	49.7	-171	0	0	0	0	0	114.1	R319	A317-R319 PolarHBondContact O-N 3.27Å
318	C	29	Very low	47.9	Very low	96 Å²	96	83.5 Å²	83.5	65%	0.649	46%	0.458	S	S	*	.			trans	-77.3	103.3	-179.1	-170.7	0	0	0	0	110.9	S316 T320	S316-C318 PolarHBondContact O-N 3.4Å; C318-T320 PolarHBondContact O-N 3Å
319	R	32	Very low	48	Very low	244 Å²	244	83.1 Å²	83.1	92%	0.921	46%	0.458	S	S	*	.			trans	-69	62.5	178	-64.8	175.8	64.1	-163	0.5	112.8	A317	A317-R319 PolarHBondContact O-N 3.27Å
320	T	30	Very low	48.9	Very low	87 Å²	87	78.1 Å²	78.1	53%	0.534	44%	0.435	S	S	.	.			trans	-129.4	83.8	176.4	-54.3	0	0	0	0	110.2	C318 L322 C323	C318-T320 PolarHBondContact O-N 3Å; T320-L322 PolarHBondContact O-N 3.09Å; T320-L322 VanDerWaalsContact O-N 3.16Å; T320-C323 PolarHBondContact O-N 3.32Å
321	E	32.4	Very low	50	Low	151 Å²	151	78.5 Å²	78.5	71%	0.706	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-62.9	-26.4	-166.9	-56.9	-176.5	150.5	0	0	113.8	C323	E321-C323 PolarHBondContact O-N 2.93Å
322	L	32.4	Very low	51.3	Low	163 Å²	163	73 Å²	73	85%	0.853	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-65	-6.1	-177.3	-74.3	160.3	0	0	0	115.9	T320	T320-L322 PolarHBondContact O-N 3.09Å; T320-L322 VanDerWaalsContact O-N 3.16Å
323	C	30.9	Very low	52.9	Low	32 Å²	32	73 Å²	73	22%	0.216	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-111.6	-9.5	-174.9	-163.3	0	0	0	0	115.2	T320 E321 R801 Q924	T320-C323 PolarHBondContact O-N 3.32Å; E321-C323 PolarHBondContact O-N 2.93Å; C323-R801 PolarHBondContact SG-NH1 2.88Å; C323-Q924 PolarHBondContact SG-NE2 3.42Å; C323-Q924 VanDerWaalsContact SG-NE2 3.36Å
324	S	41	Very low	54.5	Low	88 Å²	88	73 Å²	73	62%	0.615	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-73.8	-28.8	-172.4	-161.7	0	0	0	0	113.6	L326 R327	S324-L326 VanDerWaalsContact C-N 3.25Å; S324-L326 PolarHBondContact O-N 3.25Å; S324-R327 PolarHBondContact O-N 2.86Å
325	T	37.6	Very low	56.6	Low	107 Å²	107	72.4 Å²	72.4	66%	0.656	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-62.7	-17.5	-167.6	50.8	0	0	0	0	116.3
326	L	47.4	Very low	58.5	Low	71 Å²	71	66.7 Å²	66.7	37%	0.372	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-101.1	-13.7	-177.2	-69.5	170.5	0	0	0	114.2	S324 Y923 Q924	S324-L326 VanDerWaalsContact C-N 3.25Å; S324-L326 PolarHBondContact O-N 3.25Å; L326-Y923 HydrophobicContact CD1-CD1 4.31Å; L326-Y923 HydrophobicContact CD2-CD1 4.4Å; L326-Y923 HydrophobicContact CD2-CE1 4.02Å; L326-Q924 HydrophobicContact CD1-CG 3.49Å; L326-Q924 VanDerWaalsContact CD1-CG 3.49Å
327	R	63.1	Low	60.8	Low	73 Å²	73	65.2 Å²	65.2	28%	0.275	36%	0.36	S	S	.	.	S	Bend	trans	-92	115	-176.6	-169.3	167.6	-178.9	178.1	1.1	110.4	S324 P329 N773 E800 E803	S324-R327 PolarHBondContact O-N 2.86Å; R327-P329 WeakPolarHBondContact O-CD 3.33Å; R327-N773 PolarHBondContact NH2-O 3.11Å; R327-N773 VanDerWaalsContact NH2-O 3.12Å; R327-E800 IonicContact CZ-OE1 2.66Å; R327-E800 IonicContact NE-OE1 2.7Å; R327-E800 PolarHBondContact NE-OE1 2.99Å; R327-E800 IonicContact NH1-OE1 3.99Å; R327-E803 IonicContact NH1-OE2 2.76Å
328	T	71.5	Confident	62.9	Low	20 Å²	20	62.1 Å²	62.1	12%	0.123	33%	0.331	C	S	.	.			trans	-54.7	124.6	175.9	-47.4	0	0	0	0	110.6	A332 V333 R340 F353 N773	T328-A332 HydrophobicContact CG2-CB 3.91Å; T328-V333 HydrophobicContact CG2-CG2 4.3Å; T328-R340 VanDerWaalsContact CB-NH1 3.33Å; T328-R340 PolarHBondContact OG1-NH1 3.02Å; T328-F353 HydrophobicContact CG2-CD1 4.17Å; T328-F353 HydrophobicContact CG2-CE1 4.18Å; T328-N773 PolarHBondContact O-ND2 3.44Å
329	P	82.7	Confident	64.7	Low	27 Å²	27	59.6 Å²	59.6	18%	0.175	31%	0.313	C	S	.	.			trans	-55.7	147.7	174.3	-26.6	34.6	0	0	0	111.8	R327 D331 A332 F353 E355	R327-P329 WeakPolarHBondContact O-CD 3.33Å; P329-D331 VanDerWaalsContact C-N 3.32Å; P329-D331 PolarHBondContact O-N 3.41Å; P329-A332 HydrophobicContact CB-CB 4.27Å; P329-A332 WeakPolarHBondContact O-CB 3.4Å; P329-A332 PolarHBondContact O-N 3.36Å; P329-F353 HydrophobicContact CG-CB 4.23Å; P329-F353 HydrophobicContact CG-CD2 4.04Å; P329-F353 HydrophobicContact CG-CG 4.39Å; P329-E355 HydrophobicContact CB-CG 4.31Å; P329-E355 VanDerWaalsContact CB-OE1 3.29Å; P329-E355 WeakPolarHBondContact CB-OE1 3.47Å
330	N	86.4	Confident	65.9	Low	15 Å²	15	51 Å²	51	8%	0.08	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-58.6	-43.2	-177.8	-79.7	-17.4	0	0	0	112.2	A332 V333 V770 V771 N773	N330-A332 PolarHBondContact O-N 3.37Å; N330-V333 PolarHBondContact O-N 2.96Å; N330-V770 HydrophobicContact CB-CB 4.04Å; N330-V770 HydrophobicContact CB-CG1 3.89Å; N330-V770 VanDerWaalsContact CB-O 3.27Å; N330-V770 WeakPolarHBondContact CB-O 3.3Å; N330-V770 PolarHBondContact ND2-O 2.91Å; N330-V771 PolarHBondContact ND2-O 3.29Å; N330-N773 PolarHBondContact OD1-N 2.76Å; N330-N773 PolarHBondContact OD1-ND2 3.4Å
331	D	86.1	Confident	67	Low	18 Å²	18	52.1 Å²	52.1	10%	0.096	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-72.6	-7.6	178.6	-57.2	-81.9	0	0	0	113.8	Q310 P329 E355 H356 R769	Q310-D331 PolarHBondContact NE2-OD2 2.79Å; P329-D331 VanDerWaalsContact C-N 3.32Å; P329-D331 PolarHBondContact O-N 3.41Å; D331-E355 HydrophobicContact CB-CB 4.25Å; D331-E355 HydrophobicContact CB-CG 4.35Å; D331-H356 PolarHBondContact O-N 3.15Å; D331-H356 IonicContact OD1-CE1 3.42Å; D331-H356 PolarHBondContact OD1-CE1 3Å; D331-R769 IonicContact OD1-CZ 3.91Å; D331-R769 IonicContact OD1-NE 2.89Å; D331-R769 PolarHBondContact OD1-NE 3.3Å; D331-R769 IonicContact OD1-NH2 3.31Å; D331-R769 PolarHBondContact OD1-NH2 3.31Å; D331-R769 IonicContact OD2-CZ 3.42Å; D331-R769 IonicContact OD2-NH2 3.3Å; D331-R769 PolarHBondContact OD2-NH2 2.85Å
332	A	86.6	Confident	67.8	Low	18 Å²	18	47.5 Å²	47.5	15%	0.149	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-90.2	-5.3	171.2	0	0	0	0	0	113.3	T328 P329 N330 S334 F353 I354 E355	T328-A332 HydrophobicContact CG2-CB 3.91Å; P329-A332 HydrophobicContact CB-CB 4.27Å; P329-A332 WeakPolarHBondContact O-CB 3.4Å; P329-A332 PolarHBondContact O-N 3.36Å; N330-A332 PolarHBondContact O-N 3.37Å; A332-S334 PolarHBondContact O-N 3.34Å; A332-F353 HydrophobicContact CB-CB 4.11Å; A332-I354 WeakPolarHBondContact CB-O 3.21Å; A332-E355 HydrophobicContact CB-CG 4.06Å
333	V	88.3	Confident	68.6	Low	19 Å²	19	41.4 Å²	41.4	12%	0.115	23%	0.232	C	C	.	.			trans	-82	115.2	178.8	-176	0	0	0	0	110.2	V221 T328 N330 L336 V761 N773	V221-V333 HydrophobicContact CG2-CG1 4.09Å; V221-V333 WeakPolarHBondContact CG2-O 3.39Å; T328-V333 HydrophobicContact CG2-CG2 4.3Å; N330-V333 PolarHBondContact O-N 2.96Å; V333-L336 HydrophobicContact CG1-CD2 3.88Å; V333-V761 HydrophobicContact CG1-CG1 4.03Å; V333-N773 HydrophobicContact CG2-CB 3.76Å
334	S	89.3	Confident	69.4	Low	14 Å²	14	43.8 Å²	43.8	10%	0.098	24%	0.242	C	C	.	.			trans	-122.9	-68.8	-173.6	-164.1	0	0	0	0	112	D220 V221 A332 A357 L359	D220-S334 CarbonylContact C-O 3.49Å; D220-S334 VanDerWaalsContact CA-O 3.25Å; D220-S334 WeakPolarHBondContact CA-O 3.45Å; D220-S334 VanDerWaalsContact CB-O 3.25Å; D220-S334 WeakPolarHBondContact CB-O 3.05Å; V221-S334 PolarHBondContact N-O 3.18Å; A332-S334 PolarHBondContact O-N 3.34Å; S334-A357 WeakPolarHBondContact CB-O 3.43Å; S334-A357 PolarHBondContact OG-O 3.09Å; S334-L359 PolarHBondContact OG-N 2.72Å
335	V	92.4	Very high	69.5	Low	19 Å²	19	48 Å²	48	12%	0.115	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-86.6	142.1	177.6	177.5	0	0	0	0	110.9	Y219 E338 L359	Y219-V335 HydrophobicContact CE1-CG1 3.93Å; Y219-V335 HydrophobicContact CE1-CG2 3.9Å; Y219-V335 HydrophobicContact CE2-CG1 4.03Å; V335-E338 HydrophobicContact CG1-CB 4.09Å; V335-E338 HydrophobicContact CG1-CG 4.04Å; V335-L359 HydrophobicContact CG2-CB 4.07Å
336	L	92.3	Very high	69.8	Low	3 Å²	3	47.8 Å²	47.8	2%	0.016	25%	0.247	C	C	.	.			trans	-121.1	-27	-176	-59.3	174.8	0	0	0	113.9	Y219 V221 I224 V333 E338 A728 S756 V761	Y219-L336 PolarHBondContact O-N 2.68Å; V221-L336 HydrophobicContact CG2-CD1 4.01Å; V221-L336 HydrophobicContact CG2-CD2 4.09Å; V221-L336 HydrophobicContact CG2-CG 4.15Å; I224-L336 HydrophobicContact CD1-CD1 3.43Å; I224-L336 VanDerWaalsContact CD1-CD1 3.43Å; V333-L336 HydrophobicContact CG1-CD2 3.88Å; L336-E338 PolarHBondContact O-N 3.32Å; L336-A728 HydrophobicContact CB-CB 4.36Å; L336-A728 HydrophobicContact CD1-CB 3.9Å; L336-S756 WeakPolarHBondContact O-CB 3.3Å; L336-S756 PolarHBondContact O-OG 2.76Å; L336-V761 HydrophobicContact CD1-CG2 4.25Å; L336-V761 HydrophobicContact CD2-CG1 3.92Å; L336-V761 HydrophobicContact CD2-CG2 4.35Å
337	E	89.1	Confident	69.7	Low	20 Å²	20	46.2 Å²	46.2	9%	0.093	24%	0.237	C	C	.	.	S	Bend	trans	-69	-19.1	179.5	-171.8	176.2	143	0	0	113.3	Y219 R406 A726	Y219-E337 HydrophobicContact CD2-CB 3.51Å; Y219-E337 HydrophobicContact CD2-CG 4.27Å; Y219-E337 WeakPolarHBondContact CD2-OE2 3.49Å; Y219-E337 HydrophobicContact CE2-CB 3.86Å; Y219-E337 HydrophobicContact CG-CB 4.5Å; Y219-E337 PolarHBondContact O-N 3.21Å; E337-R406 IonicContact OE1-CZ 3.42Å; E337-R406 VanDerWaalsContact OE1-CZ 3.31Å; E337-R406 IonicContact OE1-NH1 3.31Å; E337-R406 PolarHBondContact OE1-NH1 2.82Å; E337-R406 IonicContact OE1-NH2 3.56Å; E337-R406 PolarHBondContact OE1-NH2 2.98Å; E337-R406 IonicContact OE2-CZ 3.38Å; E337-R406 IonicContact OE2-NH1 3.21Å; E337-R406 PolarHBondContact OE2-NH1 3.09Å; E337-R406 IonicContact OE2-NH2 3.48Å; E337-A726 HydrophobicContact CG-CB 3.6Å
338	E	80.3	Confident	68.9	Low	19 Å²	19	45 Å²	45	9%	0.089	25%	0.247	C	C	.	.	S	Bend	trans	-125	149.6	-161.9	-52.4	-167.9	164.4	0	0	113.7	Y219 V335 L336 K366 Y367	Y219-E338 HydrophobicContact CE2-CG 4.06Å; Y219-E338 PolarHBondContact OH-OE1 2.88Å; V335-E338 HydrophobicContact CG1-CB 4.09Å; V335-E338 HydrophobicContact CG1-CG 4.04Å; L336-E338 PolarHBondContact O-N 3.32Å; E338-K366 WeakPolarHBondContact OE1-CE 3.42Å; E338-K366 IonicContact OE1-NZ 3.32Å; E338-K366 PolarHBondContact OE1-NZ 2.9Å; E338-K366 IonicContact OE2-NZ 3.19Å; E338-K366 PolarHBondContact OE2-NZ 3.17Å; E338-Y367 PolarHBondContact OE1-OH 3.47Å
339	P	67.3	Low	68	Low	43 Å²	43	54 Å²	54	28%	0.279	29%	0.285	S	S	.	.			trans	-60.6	141.9	179.3	-22	32.3	0	0	0	112.9	E341 S342 E758	P339-E341 PolarHBondContact O-N 3.38Å; P339-S342 PolarHBondContact O-N 3.03Å; P339-S342 PolarHBondContact O-OG 2.98Å; P339-E758 HydrophobicContact CB-CG 4.45Å; P339-E758 HydrophobicContact CG-CG 4.16Å
340	R	57.6	Low	66.8	Low	64 Å²	64	54.2 Å²	54.2	24%	0.242	29%	0.287	C	S	.	.	H	α-helix	trans	-56.9	-37.2	177.9	-61	-174	-174	-157	1	111.9	T328 S342 N343 I344 S759 N773	T328-R340 VanDerWaalsContact CB-NH1 3.33Å; T328-R340 PolarHBondContact OG1-NH1 3.02Å; R340-S342 VanDerWaalsContact C-N 3.29Å; R340-S342 PolarHBondContact O-N 3.25Å; R340-N343 PolarHBondContact O-N 3.44Å; R340-I344 HydrophobicContact CB-CD1 4.14Å; R340-I344 WeakPolarHBondContact O-CG1 3.48Å; R340-I344 PolarHBondContact O-N 3.17Å; R340-S759 PolarHBondContact NE-OG 3.27Å; R340-S759 PolarHBondContact NH2-OG 2.76Å; R340-N773 PolarHBondContact NH1-OD1 2.97Å; R340-N773 PolarHBondContact NH2-OD1 3.04Å
341	E	53.1	Low	65.8	Low	111 Å²	111	60.3 Å²	60.3	52%	0.519	32%	0.32	S	S	.	.	H	α-helix	trans	-49.8	-43.1	177.7	-66.4	158.1	-126.6	0	0	113.2	P339 N343 I344 Q345 R777	P339-E341 PolarHBondContact O-N 3.38Å; E341-N343 VanDerWaalsContact C-N 3.28Å; E341-N343 PolarHBondContact O-N 3.33Å; E341-I344 PolarHBondContact O-N 3.2Å; E341-Q345 PolarHBondContact O-N 3.31Å; E341-R777 IonicContact OE1-CZ 2.68Å; E341-R777 IonicContact OE1-NH1 2.87Å; E341-R777 PolarHBondContact OE1-NH1 2.76Å; E341-R777 IonicContact OE1-NH2 3.32Å; E341-R777 PolarHBondContact OE1-NH2 2.87Å
342	S	48.2	Very low	65.7	Low	53 Å²	53	62.7 Å²	62.7	37%	0.371	33%	0.328	S	S	.	.	H	α-helix	trans	-72.3	-16.3	179.1	36.2	0	0	0	0	114.8	P339 R340	P339-S342 PolarHBondContact O-N 3.03Å; P339-S342 PolarHBondContact O-OG 2.98Å; R340-S342 VanDerWaalsContact C-N 3.29Å; R340-S342 PolarHBondContact O-N 3.25Å
343	N	48.6	Very low	65.5	Low	35 Å²	35	64.3 Å²	64.3	19%	0.187	33%	0.331	C	S	.	.	H	α-helix	trans	-95.9	-34.6	174.5	-66	-61.2	0	0	0	111.6	R340 E341 Q345 L346 Q347	R340-N343 PolarHBondContact O-N 3.44Å; E341-N343 VanDerWaalsContact C-N 3.28Å; E341-N343 PolarHBondContact O-N 3.33Å; N343-Q345 PolarHBondContact O-N 2.88Å; N343-L346 WeakPolarHBondContact O-CB 3.34Å; N343-L346 PolarHBondContact O-N 2.92Å; N343-L346 VanDerWaalsContact O-N 3.12Å; N343-Q347 PolarHBondContact O-N 2.76Å
344	I	48.2	Very low	65.6	Low	82 Å²	82	63.7 Å²	63.7	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-35.6	173.6	-66.8	163.3	0	0	0	110.7	R340 E341 L346 Q347 G348	R340-I344 HydrophobicContact CB-CD1 4.14Å; R340-I344 WeakPolarHBondContact O-CG1 3.48Å; R340-I344 PolarHBondContact O-N 3.17Å; E341-I344 PolarHBondContact O-N 3.2Å; I344-L346 PolarHBondContact O-N 3.25Å; I344-L346 VanDerWaalsContact O-N 3.15Å; I344-Q347 PolarHBondContact O-N 2.8Å; I344-Q347 VanDerWaalsContact O-N 3.11Å; I344-G348 PolarHBondContact O-N 2.93Å; I344-G348 VanDerWaalsContact O-N 3.12Å
345	Q	43.4	Very low	65.6	Low	177 Å²	177	63.3 Å²	63.3	83%	0.827	32%	0.324	S	S	*	.	H	α-helix	trans	-67.3	-11.6	178.2	-159.8	163.2	67.7	0	0	114.3	E341 N343	E341-Q345 PolarHBondContact O-N 3.31Å; N343-Q345 PolarHBondContact O-N 2.88Å
346	L	44.1	Very low	65.4	Low	103 Å²	103	63.5 Å²	63.5	54%	0.539	32%	0.324	S	S	.	.	H	α-helix	trans	-89.1	-45.5	166.2	-71.9	153.4	0	0	0	111.3	N343 I344 G348	N343-L346 WeakPolarHBondContact O-CB 3.34Å; N343-L346 PolarHBondContact O-N 2.92Å; N343-L346 VanDerWaalsContact O-N 3.12Å; I344-L346 PolarHBondContact O-N 3.25Å; I344-L346 VanDerWaalsContact O-N 3.15Å; L346-G348 PolarHBondContact O-N 2.57Å; L346-G348 VanDerWaalsContact O-N 3.08Å
347	Q	45	Very low	65.3	Low	38 Å²	38	64.1 Å²	64.1	18%	0.178	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-13	-179.6	-67.5	-177.1	-13.6	0	0	114.4	N343 I344 Q548	N343-Q347 PolarHBondContact O-N 2.76Å; I344-Q347 PolarHBondContact O-N 2.8Å; I344-Q347 VanDerWaalsContact O-N 3.11Å; Q347-Q548 VanDerWaalsContact O-CG 3.23Å; Q347-Q548 WeakPolarHBondContact O-CG 3.22Å
348	G	47.5	Very low	65.3	Low	47 Å²	47	64 Å²	64	49%	0.485	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	-144.7	168.3	0	0	0	0	0	113.9	I344 L346	I344-G348 PolarHBondContact O-N 2.93Å; I344-G348 VanDerWaalsContact O-N 3.12Å; L346-G348 PolarHBondContact O-N 2.57Å; L346-G348 VanDerWaalsContact O-N 3.08Å
349	K	51.6	Low	65.7	Low	210 Å²	210	65 Å²	65	91%	0.913	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	3.2	-172.7	-68.3	-170	177.5	-174	0	115
350	S	57.7	Low	66.8	Low	31 Å²	31	63 Å²	63	22%	0.217	32%	0.322	C	S	.	.			trans	-78.9	142.6	-173.8	57.1	0	0	0	0	112.6	Y352 Y547 Q548	S350-Y352 PolarHBondContact O-N 2.76Å; S350-Y547 WeakPolarHBondContact CB-OH 3.26Å; S350-Q548 WeakPolarHBondContact OG-CG 3.41Å; S350-Q548 PolarHBondContact OG-NE2 3.19Å
351	N	66.4	Low	68.4	Low	143 Å²	143	60 Å²	60	77%	0.765	31%	0.311	S	S	*	.	S	Bend	trans	-75.2	-2.5	-175.8	-63	-23.3	0	0	0	115.1
352	Y	82.6	Confident	70.3	Confident	67 Å²	67	56.8 Å²	56.8	26%	0.263	30%	0.296	S	S	.	.	S	Bend	trans	-116.2	129.9	-175.3	-58.8	-68.5	0	0	0	112.4	S350 Q548 P636 D652 Y653 A656	S350-Y352 PolarHBondContact O-N 2.76Å; Y352-Q548 PolarHBondContact O-NE2 3.4Å; Y352-Q548 VanDerWaalsContact O-NE2 3.13Å; Y352-P636 HydrophobicContact CD1-CB 3.87Å; Y352-P636 HydrophobicContact CD1-CG 4.11Å; Y352-P636 HydrophobicContact CE1-CB 4.06Å; Y352-P636 HydrophobicContact CE1-CG 4.37Å; Y352-D652 HydrophobicContact CD2-CB 4.33Å; Y352-D652 HydrophobicContact CE2-CB 4.29Å; Y352-Y653 HydrophobicContact CE1-CD2 4.37Å; Y352-Y653 VanDerWaalsContact CE2-CA 3.43Å; Y352-Y653 VanDerWaalsContact CE2-N 3.34Å; Y352-A656 HydrophobicContact CD2-CB 4.24Å; Y352-A656 HydrophobicContact CG-CB 4.05Å
353	F	83.5	Confident	72.5	Confident	52 Å²	52	54.2 Å²	54.2	23%	0.228	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-72.7	145.3	175.5	-65.8	-82	0	0	0	111.9	T328 P329 A332 N660	T328-F353 HydrophobicContact CG2-CD1 4.17Å; T328-F353 HydrophobicContact CG2-CE1 4.18Å; P329-F353 HydrophobicContact CG-CB 4.23Å; P329-F353 HydrophobicContact CG-CD2 4.04Å; P329-F353 HydrophobicContact CG-CG 4.39Å; A332-F353 HydrophobicContact CB-CB 4.11Å; F353-N660 PolarHBondContact O-ND2 3.45Å; F353-N660 VanDerWaalsContact O-ND2 3.09Å
354	I	88.8	Confident	74.8	Confident	6 Å²	6	52.6 Å²	52.6	3%	0.031	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-87.1	119.2	168.6	-56.8	-57.5	0	0	0	109.1	A332 A357 Y547 Y550 V659 N660 N663	A332-I354 WeakPolarHBondContact CB-O 3.21Å; I354-A357 HydrophobicContact CG2-CB 4.23Å; I354-Y547 HydrophobicContact CD1-CE1 4.14Å; I354-Y550 HydrophobicContact CD1-CE2 4.37Å; I354-Y550 HydrophobicContact CG1-CE2 4.22Å; I354-Y550 HydrophobicContact CG2-CE2 4.26Å; I354-V659 HydrophobicContact CD1-CB 4.39Å; I354-V659 HydrophobicContact CD1-CG1 4Å; I354-V659 HydrophobicContact CG2-CG1 4.2Å; I354-N660 VanDerWaalsContact CA-OD1 3.31Å; I354-N660 WeakPolarHBondContact CA-OD1 3.39Å; I354-N663 WeakPolarHBondContact CG2-ND2 3.02Å
355	E	90.9	Very high	77	Confident	7 Å²	7	54.8 Å²	54.8	3%	0.033	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-95.6	163.2	-179.7	-69.1	-177.8	-174.5	0	0	111.8	P329 D331 A332 A357 F634 G635 N660 N663	P329-E355 HydrophobicContact CB-CG 4.31Å; P329-E355 VanDerWaalsContact CB-OE1 3.29Å; P329-E355 WeakPolarHBondContact CB-OE1 3.47Å; D331-E355 HydrophobicContact CB-CB 4.25Å; D331-E355 HydrophobicContact CB-CG 4.35Å; A332-E355 HydrophobicContact CB-CG 4.06Å; E355-A357 PolarHBondContact O-N 3.45Å; E355-F634 WeakPolarHBondContact OE2-CA 3.33Å; E355-G635 PolarHBondContact OE2-N 3.33Å; E355-N660 PolarHBondContact N-OD1 3.43Å; E355-N663 WeakPolarHBondContact O-CB 3.31Å; E355-N663 PolarHBondContact O-ND2 2.96Å
356	H	88.4	Confident	79.4	Confident	22 Å²	22	50.8 Å²	50.8	10%	0.102	25%	0.252	C	S	.	.	S	Bend	trans	61.7	5.9	173.8	-60.6	-74.3	0	0	0	116.1	D331 L633 N663 K667	D331-H356 PolarHBondContact O-N 3.15Å; D331-H356 IonicContact OD1-CE1 3.42Å; D331-H356 PolarHBondContact OD1-CE1 3Å; H356-L633 PolarHBondContact NE2-O 2.91Å; H356-L633 VanDerWaalsContact NE2-O 3.11Å; H356-N663 HydrophobicContact CB-CB 3.84Å; H356-K667 WeakPolarHBondContact O-CE 3.49Å; H356-K667 PolarHBondContact O-NZ 2.91Å
357	A	88.9	Confident	81.7	Confident	17 Å²	17	47.4 Å²	47.4	14%	0.14	23%	0.232	C	C	.	.			trans	-80.7	136.5	-178	0	0	0	0	0	114	S334 I354 E355 L359	S334-A357 WeakPolarHBondContact CB-O 3.43Å; S334-A357 PolarHBondContact OG-O 3.09Å; I354-A357 HydrophobicContact CG2-CB 4.23Å; E355-A357 PolarHBondContact O-N 3.45Å; A357-L359 HydrophobicContact CB-CD2 4.4Å; A357-L359 HydrophobicContact CB-CG 4.41Å; A357-L359 PolarHBondContact O-N 3.44Å
358	D	88.4	Confident	84.1	Confident	17 Å²	17	45.6 Å²	45.6	9%	0.091	22%	0.224	C	C	.	.			trans	-89.1	66.6	174.1	-170.3	18.6	0	0	0	112.5	Q222 G360 A361 R418 L477	Q222-D358 VanDerWaalsContact NE2-CB 3.34Å; Q222-D358 PolarHBondContact NE2-OD2 3.34Å; Q222-D358 PolarHBondContact OE1-OD2 3.49Å; D358-G360 PolarHBondContact O-N 3.31Å; D358-G360 WeakPolarHBondContact OD1-CA 3.45Å; D358-G360 PolarHBondContact OD1-N 3.22Å; D358-A361 VanDerWaalsContact O-CB 3.3Å; D358-A361 WeakPolarHBondContact O-CB 3.36Å; D358-A361 PolarHBondContact O-N 2.88Å; D358-R418 IonicContact OD1-CZ 3.63Å; D358-R418 IonicContact OD1-NH1 2.94Å; D358-R418 IonicContact OD1-NH2 3.52Å; D358-R418 PolarHBondContact OD1-NH2 3.03Å; D358-R418 IonicContact OD2-CZ 3.63Å; D358-R418 IonicContact OD2-NH1 3.27Å; D358-R418 PolarHBondContact OD2-NH1 2.78Å; D358-R418 IonicContact OD2-NH2 3.49Å; D358-R418 PolarHBondContact OD2-NH2 3.05Å; D358-L477 WeakPolarHBondContact O-CD1 3.15Å; D358-L477 WeakPolarHBondContact O-CD2 3.45Å
359	L	89.4	Confident	86.3	Confident	41 Å²	41	46 Å²	46	22%	0.215	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-58.4	-18.3	172.4	-56.2	-179.3	0	0	0	112.1	S334 V335 A357 A361 H362 L477	S334-L359 PolarHBondContact OG-N 2.72Å; V335-L359 HydrophobicContact CG2-CB 4.07Å; A357-L359 HydrophobicContact CB-CD2 4.4Å; A357-L359 HydrophobicContact CB-CG 4.41Å; A357-L359 PolarHBondContact O-N 3.44Å; L359-A361 PolarHBondContact O-N 3.1Å; L359-H362 PolarHBondContact O-N 2.82Å; L359-L477 HydrophobicContact CD2-CD2 4.48Å
360	G	90.3	Very high	88.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-58.1	-25.9	168.5	0	0	0	0	0	114.6	D358 H362 Y363 R418	D358-G360 PolarHBondContact O-N 3.31Å; D358-G360 WeakPolarHBondContact OD1-CA 3.45Å; D358-G360 PolarHBondContact OD1-N 3.22Å; G360-H362 PolarHBondContact O-N 2.79Å; G360-Y363 VanDerWaalsContact O-CB 3.24Å; G360-Y363 WeakPolarHBondContact O-CB 3.4Å; G360-Y363 PolarHBondContact O-N 3.38Å; G360-R418 WeakPolarHBondContact O-CD 3.41Å
361	A	92	Very high	89.9	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.008	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-60.5	-29.4	179.1	0	0	0	0	0	113.8	D358 L359 Y363 R418 D473 E474 L477	D358-A361 VanDerWaalsContact O-CB 3.3Å; D358-A361 WeakPolarHBondContact O-CB 3.36Å; D358-A361 PolarHBondContact O-N 2.88Å; L359-A361 PolarHBondContact O-N 3.1Å; A361-Y363 PolarHBondContact O-N 3.04Å; A361-R418 VanDerWaalsContact CA-NH1 3.29Å; A361-R418 VanDerWaalsContact N-NH1 3.2Å; A361-D473 VanDerWaalsContact CB-O 3.27Å; A361-D473 WeakPolarHBondContact CB-O 3.35Å; A361-E474 HydrophobicContact CB-CG 4.4Å; A361-L477 HydrophobicContact CB-CD1 3.73Å; A361-L477 HydrophobicContact CB-CG 4Å
362	H	92.8	Very high	91.1	Very high	43 Å²	43	47.2 Å²	47.2	20%	0.199	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-67.2	-2.5	174.5	-68.8	-34	0	0	0	114.3	L359 G360 Y364 R365 K366 E474 L477	L359-H362 PolarHBondContact O-N 2.82Å; G360-H362 PolarHBondContact O-N 2.79Å; H362-Y364 VanDerWaalsContact C-N 3.3Å; H362-Y364 PolarHBondContact O-N 3.2Å; H362-R365 WeakPolarHBondContact O-CB 3.45Å; H362-R365 PolarHBondContact O-N 3.49Å; H362-K366 VanDerWaalsContact O-CB 3.29Å; H362-K366 WeakPolarHBondContact O-CB 3.24Å; H362-K366 PolarHBondContact O-N 3.15Å; H362-E474 IonicContact CE1-OE1 3.59Å; H362-E474 IonicContact CG-OE1 3.8Å; H362-E474 IonicContact ND1-OE1 2.69Å; H362-E474 PolarHBondContact ND1-OE1 3.17Å; H362-L477 VanDerWaalsContact CE1-CD1 3.41Å; H362-L477 WeakPolarHBondContact CE1-CD1 3.4Å; H362-L477 WeakPolarHBondContact NE2-CD1 3.46Å
363	Y	95.1	Very high	91.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.7	-40.2	177.4	-167.9	-118.7	0	0	0	112.8	Y219 G360 A361 Y367 F368 R406 I408 R418 G419	Y219-Y363 AromaticContact CD1-CD2 3.5Å; Y219-Y363 HydrophobicContact CD1-CD2 3.5Å; Y219-Y363 VanDerWaalsContact CD1-CD2 3.5Å; Y219-Y363 HydrophobicContact CD1-CE2 4.21Å; Y219-Y363 AromaticContact CD1-CG 3.88Å; Y219-Y363 HydrophobicContact CD1-CG 3.88Å; Y219-Y363 AromaticContact CD2-CD2 3.43Å; Y219-Y363 HydrophobicContact CD2-CD2 3.43Å; Y219-Y363 VanDerWaalsContact CD2-CD2 3.43Å; Y219-Y363 AromaticContact CD2-CE2 3.4Å; Y219-Y363 HydrophobicContact CD2-CE2 3.4Å; Y219-Y363 VanDerWaalsContact CD2-CE2 3.4Å; Y219-Y363 AromaticContact CE1-CD2 3.63Å; Y219-Y363 HydrophobicContact CE1-CD2 3.63Å; Y219-Y363 HydrophobicContact CE1-CG 4.12Å; Y219-Y363 AromaticContact CE2-CD2 3.57Å; Y219-Y363 HydrophobicContact CE2-CD2 3.57Å; Y219-Y363 AromaticContact CE2-CE2 3.83Å; Y219-Y363 HydrophobicContact CE2-CE2 3.83Å; Y219-Y363 AromaticContact CG-CD2 3.4Å; Y219-Y363 HydrophobicContact CG-CD2 3.4Å; Y219-Y363 VanDerWaalsContact CG-CD2 3.4Å; Y219-Y363 AromaticContact CG-CE2 3.62Å; Y219-Y363 HydrophobicContact CG-CE2 3.62Å; Y219-Y363 HydrophobicContact CG-CG 4.09Å; Y219-Y363 AromaticContact CZ-CD2 3.67Å; G360-Y363 VanDerWaalsContact O-CB 3.24Å; G360-Y363 WeakPolarHBondContact O-CB 3.4Å; G360-Y363 PolarHBondContact O-N 3.38Å; A361-Y363 PolarHBondContact O-N 3.04Å; Y363-Y367 AromaticContact CD2-CD2 3.27Å; Y363-Y367 HydrophobicContact CD2-CD2 3.27Å; Y363-Y367 AromaticContact CD2-CE2 3.59Å; Y363-Y367 HydrophobicContact CD2-CE2 3.59Å; Y363-Y367 HydrophobicContact CD2-CG 4.35Å; Y363-Y367 AromaticContact CE2-CD2 3.32Å; Y363-Y367 HydrophobicContact CE2-CD2 3.32Å; Y363-Y367 AromaticContact CE2-CE2 3.59Å; Y363-Y367 HydrophobicContact CE2-CE2 3.59Å; Y363-Y367 HydrophobicContact CE2-CG 4.11Å; Y363-Y367 HydrophobicContact CG-CD2 4.14Å; Y363-Y367 WeakPolarHBondContact O-CB 3.45Å; Y363-Y367 PolarHBondContact O-N 2.9Å; Y363-F368 HydrophobicContact CD1-CE2 4.13Å; Y363-F368 AromaticContact CE1-CE2 3.87Å; Y363-F368 HydrophobicContact CE1-CE2 3.87Å; Y363-F368 HydrophobicContact CE1-CZ 4.49Å; Y363-R406 WeakPolarHBondContact OH-CB 3.35Å; Y363-R406 WeakPolarHBondContact OH-CD 3.36Å; Y363-R406 WeakPolarHBondContact OH-CG 3.42Å; Y363-R406 PolarHBondContact OH-NH1 3.44Å; Y363-I408 HydrophobicContact CD1-CD1 3.64Å; Y363-I408 HydrophobicContact CD1-CG1 3.66Å; Y363-I408 HydrophobicContact CE1-CD1 4.33Å; Y363-I408 HydrophobicContact CE1-CG1 3.92Å; Y363-R418 HydrophobicContact CD1-CB 3.81Å; Y363-R418 HydrophobicContact CD1-CG 3.97Å; Y363-R418 HydrophobicContact CE1-CB 4.27Å; Y363-R418 HydrophobicContact CG-CB 4.3Å; Y363-R418 HydrophobicContact CG-CG 4.47Å; Y363-G419 VanDerWaalsContact OH-C 3.29Å; Y363-G419 PolarHBondContact OH-O 2.83Å
364	Y	95.9	Very high	92	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.8	-46.9	174.9	-171	-109.2	0	0	0	111.7	H362 K366 F368 Y369 H373 I408 R466 L469 L470 D473	H362-Y364 VanDerWaalsContact C-N 3.3Å; H362-Y364 PolarHBondContact O-N 3.2Å; Y364-K366 VanDerWaalsContact C-N 3.32Å; Y364-K366 PolarHBondContact O-N 2.59Å; Y364-F368 HydrophobicContact CD2-CB 3.37Å; Y364-F368 HydrophobicContact CD2-CD1 4.42Å; Y364-F368 HydrophobicContact CD2-CD2 4.06Å; Y364-F368 AromaticContact CD2-CG 3.73Å; Y364-F368 HydrophobicContact CD2-CG 3.73Å; Y364-F368 HydrophobicContact CE2-CB 3.39Å; Y364-F368 HydrophobicContact CE2-CD1 4.38Å; Y364-F368 AromaticContact CE2-CG 3.98Å; Y364-F368 HydrophobicContact CE2-CG 3.98Å; Y364-F368 HydrophobicContact CG-CB 4.17Å; Y364-F368 CarbonylContact O-C 3.58Å; Y364-F368 WeakPolarHBondContact O-CA 3.41Å; Y364-F368 WeakPolarHBondContact O-CB 3.3Å; Y364-F368 PolarHBondContact O-N 3.35Å; Y364-Y369 HydrophobicContact CE1-CD2 4.28Å; Y364-Y369 PolarHBondContact O-N 3.49Å; Y364-H373 AromaticContact CE2-NE2 3.6Å; Y364-H373 AromaticContact CZ-NE2 3.64Å; Y364-H373 PolarHBondContact OH-CE1 3.49Å; Y364-H373 VanDerWaalsContact OH-CE1 3.32Å; Y364-H373 PolarHBondContact OH-NE2 3.1Å; Y364-I408 HydrophobicContact CD2-CD1 3.89Å; Y364-I408 HydrophobicContact CG-CD1 4.32Å; Y364-R466 HydrophobicContact CE1-CG 4.26Å; Y364-R466 WeakPolarHBondContact CE1-O 3.46Å; Y364-R466 WeakPolarHBondContact OH-CG 3.06Å; Y364-L469 HydrophobicContact CD1-CB 4.38Å; Y364-L469 HydrophobicContact CE1-CB 3.73Å; Y364-L469 HydrophobicContact CE2-CD1 4.35Å; Y364-L470 HydrophobicContact CD1-CB 4.18Å; Y364-L470 HydrophobicContact CD1-CD1 4.22Å; Y364-L470 HydrophobicContact CE1-CB 4.31Å; Y364-D473 VanDerWaalsContact CB-OD2 3.23Å; Y364-D473 WeakPolarHBondContact CB-OD2 3.29Å
365	R	94.9	Very high	92.4	Very high	129 Å²	129	48.2 Å²	48.2	49%	0.487	22%	0.222	S	C	.	.	H	α-helix	trans	-53.7	-46.4	174.2	-172.8	-173.5	-73.4	-163.7	-5.6	112.2	H362 L470 E474	H362-R365 WeakPolarHBondContact O-CB 3.45Å; H362-R365 PolarHBondContact O-N 3.49Å; R365-L470 HydrophobicContact CB-CD1 3.76Å; R365-L470 HydrophobicContact CG-CD1 4.27Å; R365-E474 VanDerWaalsContact CB-OE1 3.32Å; R365-E474 WeakPolarHBondContact CB-OE1 3.49Å; R365-E474 IonicContact CZ-OE1 3.28Å; R365-E474 VanDerWaalsContact CZ-OE1 3.29Å; R365-E474 IonicContact CZ-OE2 2.67Å; R365-E474 IonicContact NE-OE1 2.69Å; R365-E474 PolarHBondContact NE-OE1 2.61Å; R365-E474 IonicContact NE-OE2 3.98Å; R365-E474 PolarHBondContact NE-OE2 3.3Å; R365-E474 VanDerWaalsContact NH2-CD 3.33Å; R365-E474 IonicContact NH2-OE1 3.28Å; R365-E474 PolarHBondContact NH2-OE1 3.29Å; R365-E474 IonicContact NH2-OE2 3.41Å; R365-E474 PolarHBondContact NH2-OE2 3.22Å
366	K	92.8	Very high	92.6	Very high	93 Å²	93	48.2 Å²	48.2	40%	0.404	22%	0.222	S	C	.	.	H	α-helix	trans	-75	-43	-174.4	-171.8	165.2	-174.5	167.4	0	112.9	E338 H362 Y364 K371	E338-K366 WeakPolarHBondContact OE1-CE 3.42Å; E338-K366 IonicContact OE1-NZ 3.32Å; E338-K366 PolarHBondContact OE1-NZ 2.9Å; E338-K366 IonicContact OE2-NZ 3.19Å; E338-K366 PolarHBondContact OE2-NZ 3.17Å; H362-K366 VanDerWaalsContact O-CB 3.29Å; H362-K366 WeakPolarHBondContact O-CB 3.24Å; H362-K366 PolarHBondContact O-N 3.15Å; Y364-K366 VanDerWaalsContact C-N 3.32Å; Y364-K366 PolarHBondContact O-N 2.59Å; K366-K371 PolarHBondContact O-NZ 2.93Å
367	Y	93.3	Very high	93	Very high	31 Å²	31	47.2 Å²	47.2	12%	0.122	22%	0.218	C	C	.	.	H	α-helix	trans	-108.4	-19.5	-169.1	-65.7	-75.5	0	0	0	115.5	Y219 E338 Y363 K371 R391 R406	Y219-Y367 AromaticContact CE2-CE2 3.93Å; Y219-Y367 HydrophobicContact CE2-CE2 3.93Å; E338-Y367 PolarHBondContact OE1-OH 3.47Å; Y363-Y367 AromaticContact CD2-CD2 3.27Å; Y363-Y367 HydrophobicContact CD2-CD2 3.27Å; Y363-Y367 AromaticContact CD2-CE2 3.59Å; Y363-Y367 HydrophobicContact CD2-CE2 3.59Å; Y363-Y367 HydrophobicContact CD2-CG 4.35Å; Y363-Y367 AromaticContact CE2-CD2 3.32Å; Y363-Y367 HydrophobicContact CE2-CD2 3.32Å; Y363-Y367 AromaticContact CE2-CE2 3.59Å; Y363-Y367 HydrophobicContact CE2-CE2 3.59Å; Y363-Y367 HydrophobicContact CE2-CG 4.11Å; Y363-Y367 HydrophobicContact CG-CD2 4.14Å; Y363-Y367 WeakPolarHBondContact O-CB 3.45Å; Y363-Y367 PolarHBondContact O-N 2.9Å; Y367-K371 WeakPolarHBondContact O-CD 3.5Å; Y367-R391 WeakPolarHBondContact O-CD 3.45Å; Y367-R391 PolarHBondContact O-NE 3.29Å; Y367-R391 PolarHBondContact O-NH1 2.81Å; Y367-R406 VanDerWaalsContact CD1-CD 3.5Å; Y367-R406 VanDerWaalsContact CE1-CZ 3.48Å
368	F	95.3	Very high	93.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-34.7	-172.9	-61.6	-105.2	0	0	0	113.4	Y363 Y364 K371 H373 R391 R406 I408	Y363-F368 HydrophobicContact CD1-CE2 4.13Å; Y363-F368 AromaticContact CE1-CE2 3.87Å; Y363-F368 HydrophobicContact CE1-CE2 3.87Å; Y363-F368 HydrophobicContact CE1-CZ 4.49Å; Y364-F368 HydrophobicContact CD2-CB 3.37Å; Y364-F368 HydrophobicContact CD2-CD1 4.42Å; Y364-F368 HydrophobicContact CD2-CD2 4.06Å; Y364-F368 AromaticContact CD2-CG 3.73Å; Y364-F368 HydrophobicContact CD2-CG 3.73Å; Y364-F368 HydrophobicContact CE2-CB 3.39Å; Y364-F368 HydrophobicContact CE2-CD1 4.38Å; Y364-F368 AromaticContact CE2-CG 3.98Å; Y364-F368 HydrophobicContact CE2-CG 3.98Å; Y364-F368 HydrophobicContact CG-CB 4.17Å; Y364-F368 CarbonylContact O-C 3.58Å; Y364-F368 WeakPolarHBondContact O-CA 3.41Å; Y364-F368 WeakPolarHBondContact O-CB 3.3Å; Y364-F368 PolarHBondContact O-N 3.35Å; F368-K371 PolarHBondContact O-N 3.28Å; F368-K371 VanDerWaalsContact O-O 3.14Å; F368-H373 HydrophobicContact CD1-CB 3.86Å; F368-H373 AromaticContact CD1-CD2 3.92Å; F368-H373 AromaticContact CD1-CG 3.91Å; F368-H373 PolarHBondContact O-CE1 2.66Å; F368-H373 VanDerWaalsContact O-CE1 3.22Å; F368-H373 PolarHBondContact O-ND1 3.06Å; F368-R391 HydrophobicContact CD1-CB 3.89Å; F368-R391 HydrophobicContact CE1-CB 3.65Å; F368-R391 HydrophobicContact CZ-CB 4.33Å; F368-R406 HydrophobicContact CE2-CB 4.13Å; F368-R406 HydrophobicContact CZ-CB 3.76Å; F368-I408 HydrophobicContact CD2-CD1 3.93Å; F368-I408 HydrophobicContact CD2-CG1 4.41Å; F368-I408 HydrophobicContact CE2-CD1 3.7Å; F368-I408 HydrophobicContact CE2-CG1 3.71Å; F368-I408 HydrophobicContact CZ-CD1 4.25Å; F368-I408 HydrophobicContact CZ-CG1 3.83Å
369	Y	93.9	Very high	93.5	Very high	57 Å²	57	49.7 Å²	49.7	22%	0.224	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	139.7	-179.8	-162.6	-103.7	0	0	0	111.4	Y364 K371 R466 D467 L470	Y364-Y369 HydrophobicContact CE1-CD2 4.28Å; Y364-Y369 PolarHBondContact O-N 3.49Å; Y369-K371 PolarHBondContact O-N 3.36Å; Y369-R466 HydrophobicContact CD2-CG 3.65Å; Y369-R466 HydrophobicContact CE2-CG 3.78Å; Y369-R466 VanDerWaalsContact CE2-NE 3.28Å; Y369-D467 VanDerWaalsContact CE2-OD1 3.22Å; Y369-D467 WeakPolarHBondContact CE2-OD1 3.16Å; Y369-D467 PolarHBondContact OH-OD1 3.24Å; Y369-L470 HydrophobicContact CD1-CD2 4.48Å; Y369-L470 HydrophobicContact CD2-CB 4.18Å; Y369-L470 HydrophobicContact CD2-CD1 4.42Å; Y369-L470 HydrophobicContact CD2-CD2 3.88Å; Y369-L470 HydrophobicContact CD2-CG 4.4Å; Y369-L470 HydrophobicContact CE1-CD2 4.31Å; Y369-L470 HydrophobicContact CE2-CB 4.23Å; Y369-L470 HydrophobicContact CE2-CD2 3.68Å; Y369-L470 HydrophobicContact CG-CD2 4.31Å
370	L	92.1	Very high	93.6	Very high	129 Å²	129	48 Å²	48	68%	0.675	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	3.1	-167.2	-51.5	-172.9	0	0	0	117
371	K	92.9	Very high	93.5	Very high	93 Å²	93	53.9 Å²	53.9	40%	0.404	25%	0.251	S	S	.	.	S	Bend	trans	-108.2	152	-176.8	-67	164.7	178.8	-179.2	0	110.8	K366 Y367 F368 Y369 H373	K366-K371 PolarHBondContact O-NZ 2.93Å; Y367-K371 WeakPolarHBondContact O-CD 3.5Å; F368-K371 PolarHBondContact O-N 3.28Å; F368-K371 VanDerWaalsContact O-O 3.14Å; Y369-K371 PolarHBondContact O-N 3.36Å; K371-H373 PolarHBondContact O-N 2.89Å; K371-H373 PolarHBondContact O-ND1 2.98Å
372	E	91	Very high	93.4	Very high	187 Å²	187	59.1 Å²	59.1	87%	0.874	27%	0.271	S	S	*	.			trans	-67.6	125.9	175.5	-169.4	171	-153.5	0	0	110.4	R391	E372-R391 WeakPolarHBondContact O-CG 3.38Å
373	H	93.3	Very high	93.2	Very high	31 Å²	31	57.3 Å²	57.3	14%	0.144	26%	0.263	C	S	.	.			trans	-159.3	163.4	-179.4	66.8	-85	0	0	0	109.8	Y364 F368 K371 N375 F390 R391	Y364-H373 AromaticContact CE2-NE2 3.6Å; Y364-H373 AromaticContact CZ-NE2 3.64Å; Y364-H373 PolarHBondContact OH-CE1 3.49Å; Y364-H373 VanDerWaalsContact OH-CE1 3.32Å; Y364-H373 PolarHBondContact OH-NE2 3.1Å; F368-H373 HydrophobicContact CD1-CB 3.86Å; F368-H373 AromaticContact CD1-CD2 3.92Å; F368-H373 AromaticContact CD1-CG 3.91Å; F368-H373 PolarHBondContact O-CE1 2.66Å; F368-H373 VanDerWaalsContact O-CE1 3.22Å; F368-H373 PolarHBondContact O-ND1 3.06Å; K371-H373 PolarHBondContact O-N 2.89Å; K371-H373 PolarHBondContact O-ND1 2.98Å; H373-N375 PolarHBondContact CD2-ND2 3.45Å; H373-N375 VanDerWaalsContact CD2-ND2 3.26Å; H373-N375 PolarHBondContact CD2-OD1 2.91Å; H373-N375 VanDerWaalsContact CD2-OD1 3.29Å; H373-N375 PolarHBondContact NE2-ND2 3.36Å; H373-N375 PolarHBondContact NE2-OD1 2.69Å; H373-F390 WeakPolarHBondContact CA-O 3.14Å; H373-F390 WeakPolarHBondContact CB-O 3.42Å; H373-R391 HydrophobicContact CB-CB 3.95Å; H373-R391 HydrophobicContact CB-CG 4.18Å
374	Q	92.9	Very high	93	Very high	96 Å²	96	57.6 Å²	57.6	45%	0.449	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.1	175.7	-65.1	-178.7	-20.1	0	0	110.1	F376 S389 F390 L458	Q374-F376 HydrophobicContact CB-CE2 3.88Å; Q374-S389 CarbonylContact O-C 3.58Å; Q374-S389 WeakPolarHBondContact O-CA 3.38Å; Q374-F390 HydrophobicContact CB-CB 4.49Å; Q374-F390 PolarHBondContact N-O 3.07Å; Q374-F390 PolarHBondContact O-N 2.67Å; Q374-L458 HydrophobicContact CB-CD1 4.44Å
375	N	95.6	Very high	92.9	Very high	18 Å²	18	58.2 Å²	58.2	10%	0.096	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.1	171.6	-61.1	-61.8	0	0	0	109.9	H373 F377 I388 S389 A459 L469	H373-N375 PolarHBondContact CD2-ND2 3.45Å; H373-N375 VanDerWaalsContact CD2-ND2 3.26Å; H373-N375 PolarHBondContact CD2-OD1 2.91Å; H373-N375 VanDerWaalsContact CD2-OD1 3.29Å; H373-N375 PolarHBondContact NE2-ND2 3.36Å; H373-N375 PolarHBondContact NE2-OD1 2.69Å; N375-F377 HydrophobicContact CB-CE1 3.98Å; N375-F377 HydrophobicContact CB-CZ 3.98Å; N375-I388 CarbonylContact C-O 3.43Å; N375-I388 VanDerWaalsContact CA-O 3.26Å; N375-I388 WeakPolarHBondContact CA-O 3.31Å; N375-S389 WeakPolarHBondContact OD1-CB 3.44Å; N375-S389 PolarHBondContact OD1-OG 3.46Å; N375-A459 HydrophobicContact CB-CB 3.78Å; N375-A459 WeakPolarHBondContact O-CB 3.36Å; N375-A459 PolarHBondContact O-N 3.08Å; N375-L469 HydrophobicContact CB-CD1 4.46Å
376	F	95.6	Very high	92.9	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.035	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.9	176	-64	-93.7	0	0	0	109.7	Q374 I388 F390 P440 R457 L458 I696	Q374-F376 HydrophobicContact CB-CE2 3.88Å; F376-I388 PolarHBondContact N-O 3.17Å; F376-I388 PolarHBondContact O-N 3.37Å; F376-F390 AromaticContact CD2-CD2 3.85Å; F376-F390 HydrophobicContact CD2-CD2 3.85Å; F376-F390 HydrophobicContact CD2-CE2 4.21Å; F376-F390 HydrophobicContact CE2-CD2 4.03Å; F376-P440 HydrophobicContact CE2-CB 4.07Å; F376-P440 HydrophobicContact CE2-CG 4.11Å; F376-P440 HydrophobicContact CZ-CB 4.32Å; F376-P440 HydrophobicContact CZ-CG 4.22Å; F376-R457 CarbonylContact C-O 3.55Å; F376-R457 WeakPolarHBondContact CA-O 3.31Å; F376-L458 HydrophobicContact CD1-CB 4.27Å; F376-L458 HydrophobicContact CD1-CD1 4.35Å; F376-L458 HydrophobicContact CE1-CB 4.03Å; F376-L458 HydrophobicContact CE1-CD1 3.82Å; F376-L458 HydrophobicContact CE2-CD1 4.32Å; F376-L458 HydrophobicContact CZ-CD1 3.8Å; F376-I696 HydrophobicContact CD1-CB 4.28Å; F376-I696 HydrophobicContact CD1-CD1 4.36Å; F376-I696 HydrophobicContact CD1-CG1 4.2Å; F376-I696 HydrophobicContact CE1-CB 4.14Å; F376-I696 HydrophobicContact CE1-CD1 4.44Å; F376-I696 HydrophobicContact CE1-CG1 3.89Å; F376-I696 HydrophobicContact CZ-CG1 4.24Å
377	F	96.2	Very high	93.1	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	159.3	178	-47.3	-40.4	0	0	0	110.3	N375 V386 A387 R457 A459 V465 L469 L686 A687 V691	N375-F377 HydrophobicContact CB-CE1 3.98Å; N375-F377 HydrophobicContact CB-CZ 3.98Å; F377-V386 WeakPolarHBondContact CA-O 3.32Å; F377-A387 HydrophobicContact CD1-CB 3.48Å; F377-A387 VanDerWaalsContact CD1-CB 3.48Å; F377-A387 HydrophobicContact CE1-CB 3.77Å; F377-R457 PolarHBondContact N-O 2.93Å; F377-R457 PolarHBondContact O-N 3.12Å; F377-A459 HydrophobicContact CD2-CB 3.73Å; F377-A459 HydrophobicContact CE1-CB 4.47Å; F377-A459 HydrophobicContact CE2-CB 3.34Å; F377-A459 HydrophobicContact CG-CB 4.45Å; F377-A459 HydrophobicContact CZ-CB 3.76Å; F377-V465 HydrophobicContact CE2-CG1 3.63Å; F377-V465 HydrophobicContact CZ-CG1 3.44Å; F377-V465 VanDerWaalsContact CZ-CG1 3.44Å; F377-L469 HydrophobicContact CE1-CD1 4.2Å; F377-L469 HydrophobicContact CE1-CD2 4.16Å; F377-L469 HydrophobicContact CZ-CD1 4.03Å; F377-L469 HydrophobicContact CZ-CD2 4.4Å; F377-L469 HydrophobicContact CZ-CG 4.4Å; F377-L686 HydrophobicContact CD2-CB 4.07Å; F377-L686 VanDerWaalsContact CD2-O 3.23Å; F377-L686 WeakPolarHBondContact CD2-O 3.45Å; F377-L686 HydrophobicContact CE2-CB 4.06Å; F377-L686 HydrophobicContact CE2-CD2 4.06Å; F377-L686 HydrophobicContact CG-CB 4.43Å; F377-L686 HydrophobicContact CZ-CB 4.45Å; F377-L686 HydrophobicContact CZ-CD2 4.27Å; F377-A687 HydrophobicContact CB-CB 4.31Å; F377-V691 HydrophobicContact CB-CG2 3.75Å; F377-V691 HydrophobicContact CD2-CG2 4.11Å; F377-V691 HydrophobicContact CG-CG2 4.43Å
378	G	94.3	Very high	93.2	Very high	5 Å²	5	46.3 Å²	46.3	5%	0.052	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177	174.9	174.6	0	0	0	0	0	111.6	P385 V386	G378-P385 WeakPolarHBondContact O-CA 3.24Å; G378-V386 PolarHBondContact N-O 3.14Å; G378-V386 VanDerWaalsContact N-O 3.15Å; G378-V386 PolarHBondContact O-N 2.78Å
379	I	93.6	Very high	93.3	Very high	81 Å²	81	46.3 Å²	46.3	42%	0.415	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.9	171.4	-56.4	177.5	0	0	0	107.1	P385 C455 A687 E688	I379-P385 HydrophobicContact CG1-CB 4.5Å; I379-C455 WeakPolarHBondContact O-CB 3.37Å; I379-A687 HydrophobicContact CG1-CB 4.07Å; I379-E688 HydrophobicContact CD1-CG 4.22Å
380	D	91.6	Very high	93.3	Very high	5 Å²	5	44 Å²	44	3%	0.027	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.1	178.4	179.8	-70.7	0	0	0	110	R382 L383 G384 V386 N452	D380-R382 PolarHBondContact O-N 2.83Å; D380-R382 WeakPolarHBondContact OD1-CA 3.35Å; D380-R382 WeakPolarHBondContact OD1-CB 3.15Å; D380-R382 PolarHBondContact OD1-N 2.9Å; D380-L383 HydrophobicContact CB-CB 4.08Å; D380-L383 PolarHBondContact O-N 2.83Å; D380-L383 PolarHBondContact OD1-N 3.11Å; D380-G384 PolarHBondContact N-O 2.93Å; D380-G384 WeakPolarHBondContact O-CA 3.37Å; D380-G384 PolarHBondContact O-N 2.81Å; D380-V386 HydrophobicContact CB-CG2 4.4Å; D380-N452 WeakPolarHBondContact OD2-CB 3.29Å; D380-N452 PolarHBondContact OD2-N 2.93Å; D380-N452 VanDerWaalsContact OD2-N 3.15Å
381	D	88.8	Confident	93.3	Very high	123 Å²	123	40.2 Å²	40.2	66%	0.658	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.3	-173.6	-54.6	-68.3	0	0	0	113.7	R235	R235-D381 VanDerWaalsContact CZ-O 3.26Å; R235-D381 PolarHBondContact NH1-O 2.7Å; R235-D381 PolarHBondContact NH2-O 2.91Å
382	R	88.9	Confident	93.2	Very high	112 Å²	112	39.6 Å²	39.6	42%	0.423	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-42.2	174.7	-65.7	174.5	67.4	-159.4	1.8	112.3	A232 R235 D380 E450	A232-R382 HydrophobicContact CB-CB 4.42Å; R235-R382 VanDerWaalsContact CD-O 3.24Å; R235-R382 WeakPolarHBondContact CD-O 3.04Å; R235-R382 PolarHBondContact NH1-O 2.92Å; D380-R382 PolarHBondContact O-N 2.83Å; D380-R382 WeakPolarHBondContact OD1-CA 3.35Å; D380-R382 WeakPolarHBondContact OD1-CB 3.15Å; D380-R382 PolarHBondContact OD1-N 2.9Å; R382-E450 IonicContact CZ-OE2 2.63Å; R382-E450 IonicContact NH1-OE2 2.71Å; R382-E450 PolarHBondContact NH1-OE2 3.28Å; R382-E450 IonicContact NH2-OE2 2.75Å; R382-E450 PolarHBondContact NH2-OE2 2.77Å
383	L	89.1	Confident	93	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-11.7	-168.7	-54.4	173.4	0	0	0	114.5	L228 V231 A232 D380 V386 F409 L451	L228-L383 HydrophobicContact CD2-CD1 4.01Å; V231-L383 HydrophobicContact CB-CD2 3.98Å; V231-L383 HydrophobicContact CG1-CB 4.32Å; V231-L383 HydrophobicContact CG1-CD2 3.72Å; A232-L383 HydrophobicContact CB-CD2 4.18Å; D380-L383 HydrophobicContact CB-CB 4.08Å; D380-L383 PolarHBondContact O-N 2.83Å; D380-L383 PolarHBondContact OD1-N 3.11Å; L383-V386 HydrophobicContact CB-CG1 3.89Å; L383-V386 HydrophobicContact CD1-CG1 4.44Å; L383-F409 HydrophobicContact CD1-CZ 4.18Å; L383-L451 HydrophobicContact CD1-CD1 3.68Å
384	G	91.4	Very high	92.6	Very high	6 Å²	6	36.4 Å²	36.4	6%	0.062	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.6	-153.3	-173.1	0	0	0	0	0	112.6	D380 V386	D380-G384 PolarHBondContact N-O 2.93Å; D380-G384 WeakPolarHBondContact O-CA 3.37Å; D380-G384 PolarHBondContact O-N 2.81Å; G384-V386 PolarHBondContact O-N 3.4Å
385	P	94.1	Very high	91.5	Very high	13 Å²	13	36.6 Å²	36.6	8%	0.084	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.7	178.7	30.7	-36	0	0	0	110.9	G378 I379 T412 Q680 L683 K684	G378-P385 WeakPolarHBondContact O-CA 3.24Å; I379-P385 HydrophobicContact CG1-CB 4.5Å; P385-T412 HydrophobicContact CG-CG2 3.87Å; P385-Q680 HydrophobicContact CG-CG 4.25Å; P385-L683 HydrophobicContact CB-CB 3.85Å; P385-L683 HydrophobicContact CG-CB 3.93Å; P385-K684 HydrophobicContact CB-CB 4.42Å; P385-K684 HydrophobicContact CG-CB 4.36Å
386	V	95.3	Very high	89.6	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146	-174.9	-66.4	0	0	0	0	111.9	F377 G378 D380 L383 G384 F409 R410 T411 L456	F377-V386 WeakPolarHBondContact CA-O 3.32Å; G378-V386 PolarHBondContact N-O 3.14Å; G378-V386 VanDerWaalsContact N-O 3.15Å; G378-V386 PolarHBondContact O-N 2.78Å; D380-V386 HydrophobicContact CB-CG2 4.4Å; L383-V386 HydrophobicContact CB-CG1 3.89Å; L383-V386 HydrophobicContact CD1-CG1 4.44Å; G384-V386 PolarHBondContact O-N 3.4Å; V386-F409 HydrophobicContact CB-CE2 3.96Å; V386-F409 HydrophobicContact CB-CZ 4.1Å; V386-F409 HydrophobicContact CG1-CE2 4.31Å; V386-F409 HydrophobicContact CG1-CZ 3.93Å; V386-R410 WeakPolarHBondContact CA-O 3.4Å; V386-T411 HydrophobicContact CG1-CG2 4.2Å; V386-L456 HydrophobicContact CG2-CD2 4.06Å
387	A	96.2	Very high	87.8	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	128.8	-178.7	0	0	0	0	0	113.2	F377 R410 L469 L683	F377-A387 HydrophobicContact CD1-CB 3.48Å; F377-A387 VanDerWaalsContact CD1-CB 3.48Å; F377-A387 HydrophobicContact CE1-CB 3.77Å; A387-R410 HydrophobicContact CB-CB 4.27Å; A387-R410 PolarHBondContact N-O 2.94Å; A387-R410 WeakPolarHBondContact O-CB 3.5Å; A387-R410 PolarHBondContact O-N 2.86Å; A387-L469 HydrophobicContact CB-CD2 4.46Å; A387-L683 HydrophobicContact CB-CD2 3.62Å
388	I	96.1	Very high	85.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.7	-174.3	-23.7	-164.3	0	0	0	110.8	N375 F376 F390 I407 I408 F409 L444 L451 L456	N375-I388 CarbonylContact C-O 3.43Å; N375-I388 VanDerWaalsContact CA-O 3.26Å; N375-I388 WeakPolarHBondContact CA-O 3.31Å; F376-I388 PolarHBondContact N-O 3.17Å; F376-I388 PolarHBondContact O-N 3.37Å; I388-F390 HydrophobicContact CB-CE2 3.97Å; I388-F390 HydrophobicContact CG2-CD2 4.17Å; I388-F390 HydrophobicContact CG2-CE2 3.42Å; I388-F390 VanDerWaalsContact CG2-CE2 3.42Å; I388-F390 HydrophobicContact CG2-CZ 3.84Å; I388-I407 HydrophobicContact CG2-CG2 4.39Å; I388-I408 CarbonylContact C-O 3.59Å; I388-I408 VanDerWaalsContact CA-O 3.27Å; I388-I408 WeakPolarHBondContact CA-O 3.49Å; I388-I408 VanDerWaalsContact CG2-O 3.26Å; I388-I408 WeakPolarHBondContact CG2-O 3.39Å; I388-F409 HydrophobicContact CB-CD2 4.32Å; I388-F409 HydrophobicContact CD1-CD2 3.69Å; I388-F409 HydrophobicContact CD1-CE2 3.82Å; I388-F409 HydrophobicContact CG1-CD2 3.67Å; I388-F409 HydrophobicContact CG1-CE2 3.97Å; I388-F409 HydrophobicContact CG2-CB 4.37Å; I388-F409 HydrophobicContact CG2-CD2 4.11Å; I388-L444 HydrophobicContact CD1-CD1 3.82Å; I388-L444 HydrophobicContact CD1-CD2 3.93Å; I388-L444 HydrophobicContact CG2-CD2 4.46Å; I388-L451 HydrophobicContact CD1-CD2 3.84Å; I388-L456 HydrophobicContact CD1-CD1 3.53Å; I388-L456 HydrophobicContact CD1-CD2 3.82Å; I388-L456 HydrophobicContact CD1-CG 4.34Å; I388-L456 HydrophobicContact CG1-CD2 4.11Å
389	S	96.2	Very high	83.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.3	171.7	-61.1	0	0	0	0	110.7	Q374 N375 I407 I408 R410	Q374-S389 CarbonylContact O-C 3.58Å; Q374-S389 WeakPolarHBondContact O-CA 3.38Å; N375-S389 WeakPolarHBondContact OD1-CB 3.44Å; N375-S389 PolarHBondContact OD1-OG 3.46Å; S389-I407 WeakPolarHBondContact O-CA 3.37Å; S389-I408 PolarHBondContact N-O 2.99Å; S389-I408 PolarHBondContact O-N 2.91Å; S389-R410 PolarHBondContact OG-NH1 2.78Å; S389-R410 PolarHBondContact OG-NH2 2.75Å
390	F	94.2	Very high	82.1	Confident	8 Å²	8	55.8 Å²	55.8	4%	0.035	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.9	177	-74.6	-85.3	0	0	0	111.5	H373 Q374 F376 I388 I407 P440 L443 L444	H373-F390 WeakPolarHBondContact CA-O 3.14Å; H373-F390 WeakPolarHBondContact CB-O 3.42Å; Q374-F390 HydrophobicContact CB-CB 4.49Å; Q374-F390 PolarHBondContact N-O 3.07Å; Q374-F390 PolarHBondContact O-N 2.67Å; F376-F390 AromaticContact CD2-CD2 3.85Å; F376-F390 HydrophobicContact CD2-CD2 3.85Å; F376-F390 HydrophobicContact CD2-CE2 4.21Å; F376-F390 HydrophobicContact CE2-CD2 4.03Å; I388-F390 HydrophobicContact CB-CE2 3.97Å; I388-F390 HydrophobicContact CG2-CD2 4.17Å; I388-F390 HydrophobicContact CG2-CE2 3.42Å; I388-F390 VanDerWaalsContact CG2-CE2 3.42Å; I388-F390 HydrophobicContact CG2-CZ 3.84Å; F390-I407 HydrophobicContact CD1-CD1 4.23Å; F390-I407 HydrophobicContact CD1-CG1 3.85Å; F390-I407 HydrophobicContact CE1-CD1 3.74Å; F390-I407 HydrophobicContact CE1-CG1 3.76Å; F390-I407 HydrophobicContact CE1-CG2 4.12Å; F390-I407 HydrophobicContact CZ-CG2 4.33Å; F390-P440 HydrophobicContact CD1-CB 4.46Å; F390-P440 HydrophobicContact CD2-CB 4.19Å; F390-P440 HydrophobicContact CE1-CB 4.49Å; F390-P440 HydrophobicContact CE2-CB 4.21Å; F390-P440 HydrophobicContact CG-CB 4.33Å; F390-P440 HydrophobicContact CZ-CB 4.39Å; F390-L443 HydrophobicContact CD1-CD1 4.29Å; F390-L443 HydrophobicContact CE1-CB 4.21Å; F390-L443 HydrophobicContact CE1-CD1 4.27Å; F390-L444 HydrophobicContact CE2-CD1 4.17Å; F390-L444 HydrophobicContact CE2-CD2 4.44Å; F390-L444 HydrophobicContact CE2-CG 4.33Å; F390-L444 HydrophobicContact CZ-CD1 3.99Å; F390-L444 HydrophobicContact CZ-CD2 3.72Å; F390-L444 HydrophobicContact CZ-CG 3.65Å
391	R	92.9	Very high	80.8	Confident	51 Å²	51	58.5 Å²	58.5	19%	0.192	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.6	169.4	-169.2	174.2	166.7	-103.3	-24.8	110.2	Y367 F368 E372 H373 D393 Y405 R406	Y367-R391 WeakPolarHBondContact O-CD 3.45Å; Y367-R391 PolarHBondContact O-NE 3.29Å; Y367-R391 PolarHBondContact O-NH1 2.81Å; F368-R391 HydrophobicContact CD1-CB 3.89Å; F368-R391 HydrophobicContact CE1-CB 3.65Å; F368-R391 HydrophobicContact CZ-CB 4.33Å; E372-R391 WeakPolarHBondContact O-CG 3.38Å; H373-R391 HydrophobicContact CB-CB 3.95Å; H373-R391 HydrophobicContact CB-CG 4.18Å; R391-D393 WeakPolarHBondContact CG-OD1 3.47Å; R391-D393 IonicContact CZ-OD1 2.88Å; R391-D393 IonicContact CZ-OD2 2.93Å; R391-D393 IonicContact NE-OD1 2.82Å; R391-D393 PolarHBondContact NE-OD1 3.01Å; R391-D393 IonicContact NH1-OD1 2.66Å; R391-D393 PolarHBondContact NH1-OD1 3.06Å; R391-D393 IonicContact NH1-OD2 3.69Å; R391-D393 PolarHBondContact NH1-OD2 2.92Å; R391-D393 IonicContact NH2-OD1 3.17Å; R391-D393 PolarHBondContact NH2-OD1 3.35Å; R391-D393 IonicContact NH2-OD2 3.92Å; R391-Y405 CarbonylContact O-C 3.57Å; R391-Y405 WeakPolarHBondContact O-CA 3.49Å; R391-R406 PolarHBondContact N-O 2.95Å; R391-R406 PolarHBondContact O-N 2.94Å
392	R	90.8	Very high	80.2	Confident	79 Å²	79	54.3 Å²	54.3	30%	0.298	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	108.7	175.7	-173.2	-179.2	-174	-103.8	4.2	108.1	Y403 Y405 E423	R392-Y403 HydrophobicContact CG-CD1 4.49Å; R392-Y403 VanDerWaalsContact NH1-CD1 3.25Å; R392-Y403 VanDerWaalsContact NH2-CE2 3.35Å; R392-Y405 HydrophobicContact CB-CD1 4.05Å; R392-Y405 HydrophobicContact CB-CE1 3.79Å; R392-Y405 WeakPolarHBondContact CD-OH 3.31Å; R392-Y405 HydrophobicContact CG-CD1 4.27Å; R392-Y405 HydrophobicContact CG-CE1 3.81Å; R392-Y405 HydrophobicContact CG-CE2 4.17Å; R392-Y405 PolarHBondContact NE-OH 3.34Å; R392-E423 IonicContact CZ-OE2 3.23Å; R392-E423 VanDerWaalsContact CZ-OE2 3.26Å; R392-E423 IonicContact NE-OE2 2.76Å; R392-E423 PolarHBondContact NE-OE2 2.71Å; R392-E423 IonicContact NH2-OE1 3.95Å; R392-E423 IonicContact NH2-OE2 3.53Å; R392-E423 PolarHBondContact NH2-OE2 2.98Å
393	D	87.2	Confident	80	Confident	23 Å²	23	52 Å²	52	12%	0.123	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.1	178.2	-73.9	11.2	0	0	0	109.4	R391 Y403 N404 R406	R391-D393 WeakPolarHBondContact CG-OD1 3.47Å; R391-D393 IonicContact CZ-OD1 2.88Å; R391-D393 IonicContact CZ-OD2 2.93Å; R391-D393 IonicContact NE-OD1 2.82Å; R391-D393 PolarHBondContact NE-OD1 3.01Å; R391-D393 IonicContact NH1-OD1 2.66Å; R391-D393 PolarHBondContact NH1-OD1 3.06Å; R391-D393 IonicContact NH1-OD2 3.69Å; R391-D393 PolarHBondContact NH1-OD2 2.92Å; R391-D393 IonicContact NH2-OD1 3.17Å; R391-D393 PolarHBondContact NH2-OD1 3.35Å; R391-D393 IonicContact NH2-OD2 3.92Å; D393-Y403 WeakPolarHBondContact O-CA 3.38Å; D393-N404 PolarHBondContact N-O 3.36Å; D393-N404 PolarHBondContact O-N 3.49Å; D393-R406 IonicContact OD2-NE 3.22Å; D393-R406 PolarHBondContact OD2-NE 3.23Å
394	E	83.1	Confident	80	Confident	129 Å²	129	52.6 Å²	52.6	60%	0.603	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.2	170.4	-172.6	159.4	-133.6	0	0	108.9	A401 Y403	E394-A401 HydrophobicContact CG-CB 4.39Å; E394-Y403 HydrophobicContact CB-CD1 3.97Å; E394-Y403 HydrophobicContact CB-CE1 3.73Å; E394-Y403 VanDerWaalsContact CD-CE1 3.47Å; E394-Y403 HydrophobicContact CG-CD1 4.1Å; E394-Y403 HydrophobicContact CG-CE1 3.52Å; E394-Y403 WeakPolarHBondContact OE1-CE1 3.38Å; E394-Y403 PolarHBondContact OE1-OH 3.35Å
395	K	70	Confident	80.1	Confident	99 Å²	99	52.9 Å²	52.9	43%	0.43	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.5	-179.4	-175.1	-175.3	178.1	-169.8	0	108.2	G397 Q402	K395-G397 PolarHBondContact O-N 2.98Å; K395-G397 VanDerWaalsContact O-N 3.08Å; K395-Q402 WeakPolarHBondContact CA-O 3.33Å; K395-Q402 WeakPolarHBondContact CB-O 3.09Å; K395-Q402 PolarHBondContact N-O 3.19Å; K395-Q402 PolarHBondContact O-N 3.04Å
396	E	56.7	Low	80.1	Confident	180 Å²	180	53.2 Å²	53.2	84%	0.841	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	106.4	170.1	-65.5	-178.3	146.3	0	0	108.7
397	G	56.5	Low	80.1	Confident	29 Å²	29	53.3 Å²	53.3	30%	0.299	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	155	174.8	0	0	0	0	0	111.3	K395 S399 G400	K395-G397 PolarHBondContact O-N 2.98Å; K395-G397 VanDerWaalsContact O-N 3.08Å; G397-S399 PolarHBondContact O-N 2.97Å; G397-S399 VanDerWaalsContact O-N 3.08Å; G397-G400 CarbonylContact C-O 3.51Å; G397-G400 VanDerWaalsContact CA-O 3.26Å; G397-G400 WeakPolarHBondContact CA-O 3.32Å; G397-G400 PolarHBondContact N-O 2.89Å; G397-G400 PolarHBondContact O-N 3.49Å
398	S	49.7	Very low	80.1	Confident	137 Å²	137	53.3 Å²	53.3	96%	0.958	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19	175.2	45	0	0	0	0	114.1
399	S	53	Low	80	Confident	128 Å²	128	53.3 Å²	53.3	90%	0.895	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	2.7	178.1	-55.3	0	0	0	0	114.1	G397	G397-S399 PolarHBondContact O-N 2.97Å; G397-S399 VanDerWaalsContact O-N 3.08Å
400	G	62.5	Low	80	Confident	42 Å²	42	53.3 Å²	53.3	43%	0.433	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130.8	-171.4	-176.1	0	0	0	0	0	113.7	G397 Q402	G397-G400 CarbonylContact C-O 3.51Å; G397-G400 VanDerWaalsContact CA-O 3.26Å; G397-G400 WeakPolarHBondContact CA-O 3.32Å; G397-G400 PolarHBondContact N-O 2.89Å; G397-G400 PolarHBondContact O-N 3.49Å; G400-Q402 PolarHBondContact O-N 3.16Å
401	A	65.2	Low	79.9	Confident	62 Å²	62	52.9 Å²	52.9	51%	0.512	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	110.6	176.7	0	0	0	0	0	110.9	E394	E394-A401 HydrophobicContact CG-CB 4.39Å
402	Q	75.4	Confident	79.8	Confident	35 Å²	35	50.7 Å²	50.7	16%	0.164	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.7	175.8	-166.9	-177.5	46.2	0	0	109.1	K395 G400 L422 E424	K395-Q402 WeakPolarHBondContact CA-O 3.33Å; K395-Q402 WeakPolarHBondContact CB-O 3.09Å; K395-Q402 PolarHBondContact N-O 3.19Å; K395-Q402 PolarHBondContact O-N 3.04Å; G400-Q402 PolarHBondContact O-N 3.16Å; Q402-L422 HydrophobicContact CG-CD2 4.33Å; Q402-E424 PolarHBondContact NE2-OE2 3.28Å
403	Y	85.1	Confident	79.7	Confident	64 Å²	64	47.3 Å²	47.3	25%	0.251	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.7	-178.7	-62.4	-76.3	0	0	0	111.9	R392 D393 E394 E423	R392-Y403 HydrophobicContact CG-CD1 4.49Å; R392-Y403 VanDerWaalsContact NH1-CD1 3.25Å; R392-Y403 VanDerWaalsContact NH2-CE2 3.35Å; D393-Y403 WeakPolarHBondContact O-CA 3.38Å; E394-Y403 HydrophobicContact CB-CD1 3.97Å; E394-Y403 HydrophobicContact CB-CE1 3.73Å; E394-Y403 VanDerWaalsContact CD-CE1 3.47Å; E394-Y403 HydrophobicContact CG-CD1 4.1Å; E394-Y403 HydrophobicContact CG-CE1 3.52Å; E394-Y403 WeakPolarHBondContact OE1-CE1 3.38Å; E394-Y403 PolarHBondContact OE1-OH 3.35Å; Y403-E423 WeakPolarHBondContact CB-OE2 3.42Å; Y403-E423 PolarHBondContact O-N 3.47Å
404	N	89.4	Confident	79.7	Confident	18 Å²	18	48.2 Å²	48.2	10%	0.096	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.6	177.6	-170.3	12.2	0	0	0	110.2	D393 S420 I421 L422	D393-N404 PolarHBondContact N-O 3.36Å; D393-N404 PolarHBondContact O-N 3.49Å; N404-S420 WeakPolarHBondContact ND2-CB 3.31Å; N404-S420 PolarHBondContact ND2-OG 3.24Å; N404-S420 VanDerWaalsContact OD1-CB 3.29Å; N404-S420 WeakPolarHBondContact OD1-CB 3.42Å; N404-S420 PolarHBondContact OD1-OG 2.92Å; N404-I421 PolarHBondContact OD1-N 2.88Å; N404-I421 VanDerWaalsContact OD1-N 3.11Å; N404-I421 PolarHBondContact OD1-O 3.21Å; N404-L422 HydrophobicContact CB-CD2 4.03Å
405	Y	91.7	Very high	80	Confident	12 Å²	12	44 Å²	44	5%	0.047	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.3	175.4	-76.1	-91.2	0	0	0	110.1	R391 R392 S420 I421 E423 G437 L438 L443	R391-Y405 CarbonylContact O-C 3.57Å; R391-Y405 WeakPolarHBondContact O-CA 3.49Å; R392-Y405 HydrophobicContact CB-CD1 4.05Å; R392-Y405 HydrophobicContact CB-CE1 3.79Å; R392-Y405 WeakPolarHBondContact CD-OH 3.31Å; R392-Y405 HydrophobicContact CG-CD1 4.27Å; R392-Y405 HydrophobicContact CG-CE1 3.81Å; R392-Y405 HydrophobicContact CG-CE2 4.17Å; R392-Y405 PolarHBondContact NE-OH 3.34Å; Y405-S420 CarbonylContact O-C 3.59Å; Y405-S420 WeakPolarHBondContact O-CA 3.35Å; Y405-S420 WeakPolarHBondContact O-CB 3.27Å; Y405-I421 PolarHBondContact N-O 3.22Å; Y405-I421 PolarHBondContact O-N 2.93Å; Y405-E423 HydrophobicContact CD2-CB 4.35Å; Y405-E423 HydrophobicContact CE2-CB 3.99Å; Y405-E423 HydrophobicContact CE2-CG 4.04Å; Y405-E423 WeakPolarHBondContact CE2-OE2 3.46Å; Y405-G437 WeakPolarHBondContact OH-CA 3.5Å; Y405-L438 HydrophobicContact CE2-CB 4.24Å; Y405-L438 HydrophobicContact CE2-CD1 4.3Å; Y405-L438 HydrophobicContact CE2-CG 4.47Å; Y405-L438 PolarHBondContact OH-N 2.94Å; Y405-L438 PolarHBondContact OH-O 2.99Å; Y405-L438 VanDerWaalsContact OH-O 3.08Å; Y405-L443 HydrophobicContact CD1-CD1 3.38Å; Y405-L443 HydrophobicContact CD2-CD1 4.21Å; Y405-L443 HydrophobicContact CD2-CD2 4.47Å; Y405-L443 HydrophobicContact CE1-CD1 3.72Å; Y405-L443 HydrophobicContact CG-CD1 3.63Å
406	R	94.6	Very high	81	Confident	20 Å²	20	39.4 Å²	39.4	8%	0.075	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.7	170.3	-64.9	-165.9	177	-83.3	4.2	110	E337 Y363 Y367 F368 R391 D393	E337-R406 IonicContact OE1-CZ 3.42Å; E337-R406 VanDerWaalsContact OE1-CZ 3.31Å; E337-R406 IonicContact OE1-NH1 3.31Å; E337-R406 PolarHBondContact OE1-NH1 2.82Å; E337-R406 IonicContact OE1-NH2 3.56Å; E337-R406 PolarHBondContact OE1-NH2 2.98Å; E337-R406 IonicContact OE2-CZ 3.38Å; E337-R406 IonicContact OE2-NH1 3.21Å; E337-R406 PolarHBondContact OE2-NH1 3.09Å; E337-R406 IonicContact OE2-NH2 3.48Å; Y363-R406 WeakPolarHBondContact OH-CB 3.35Å; Y363-R406 WeakPolarHBondContact OH-CD 3.36Å; Y363-R406 WeakPolarHBondContact OH-CG 3.42Å; Y363-R406 PolarHBondContact OH-NH1 3.44Å; Y367-R406 VanDerWaalsContact CD1-CD 3.5Å; Y367-R406 VanDerWaalsContact CE1-CZ 3.48Å; F368-R406 HydrophobicContact CE2-CB 4.13Å; F368-R406 HydrophobicContact CZ-CB 3.76Å; R391-R406 PolarHBondContact N-O 2.95Å; R391-R406 PolarHBondContact O-N 2.94Å; D393-R406 IonicContact OD2-NE 3.22Å; D393-R406 PolarHBondContact OD2-NE 3.23Å
407	I	95.1	Very high	82.8	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	139	-172.3	-56.7	173.4	0	0	0	109.3	F216 I388 S389 F390 G419 I421 I447	F216-I407 HydrophobicContact CE2-CB 4.31Å; F216-I407 HydrophobicContact CE2-CD1 4.4Å; I388-I407 HydrophobicContact CG2-CG2 4.39Å; S389-I407 WeakPolarHBondContact O-CA 3.37Å; F390-I407 HydrophobicContact CD1-CD1 4.23Å; F390-I407 HydrophobicContact CD1-CG1 3.85Å; F390-I407 HydrophobicContact CE1-CD1 3.74Å; F390-I407 HydrophobicContact CE1-CG1 3.76Å; F390-I407 HydrophobicContact CE1-CG2 4.12Å; F390-I407 HydrophobicContact CZ-CG2 4.33Å; I407-G419 PolarHBondContact N-O 3.38Å; I407-G419 PolarHBondContact O-N 3.17Å; I407-I421 HydrophobicContact CD1-CG2 4.08Å; I407-I447 HydrophobicContact CD1-CD1 3.32Å
408	I	96.4	Very high	84.6	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.1	165.2	-48.7	-171.7	0	0	0	107.9	Y363 Y364 F368 I388 S389 R410 T416 L417 R418	Y363-I408 HydrophobicContact CD1-CD1 3.64Å; Y363-I408 HydrophobicContact CD1-CG1 3.66Å; Y363-I408 HydrophobicContact CE1-CD1 4.33Å; Y363-I408 HydrophobicContact CE1-CG1 3.92Å; Y364-I408 HydrophobicContact CD2-CD1 3.89Å; Y364-I408 HydrophobicContact CG-CD1 4.32Å; F368-I408 HydrophobicContact CD2-CD1 3.93Å; F368-I408 HydrophobicContact CD2-CG1 4.41Å; F368-I408 HydrophobicContact CE2-CD1 3.7Å; F368-I408 HydrophobicContact CE2-CG1 3.71Å; F368-I408 HydrophobicContact CZ-CD1 4.25Å; F368-I408 HydrophobicContact CZ-CG1 3.83Å; I388-I408 CarbonylContact C-O 3.59Å; I388-I408 VanDerWaalsContact CA-O 3.27Å; I388-I408 WeakPolarHBondContact CA-O 3.49Å; I388-I408 VanDerWaalsContact CG2-O 3.26Å; I388-I408 WeakPolarHBondContact CG2-O 3.39Å; S389-I408 PolarHBondContact N-O 2.99Å; S389-I408 PolarHBondContact O-N 2.91Å; I408-R410 HydrophobicContact CG2-CG 3.97Å; I408-T416 HydrophobicContact CG2-CG2 3.55Å; I408-L417 CarbonylContact C-O 3.56Å; I408-L417 VanDerWaalsContact CA-O 3.31Å; I408-L417 WeakPolarHBondContact CA-O 3.22Å; I408-R418 HydrophobicContact CG2-CG 4.1Å
409	F	95.1	Very high	86.7	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.2	171.3	-179.7	-110.2	0	0	0	110.7	F226 L228 L383 V386 I388 T411 T416 L417 M448 L451	F226-F409 AromaticContact CE1-CD1 3.84Å; F226-F409 HydrophobicContact CE1-CD1 3.84Å; F226-F409 HydrophobicContact CE1-CE1 4.22Å; F226-F409 HydrophobicContact CE2-CD1 4.47Å; F226-F409 AromaticContact CZ-CD1 3.52Å; F226-F409 HydrophobicContact CZ-CD1 3.52Å; F226-F409 AromaticContact CZ-CE1 3.74Å; F226-F409 HydrophobicContact CZ-CE1 3.74Å; L228-F409 HydrophobicContact CD2-CD1 4.33Å; L228-F409 HydrophobicContact CD2-CE1 3.61Å; L228-F409 HydrophobicContact CD2-CZ 4.45Å; L383-F409 HydrophobicContact CD1-CZ 4.18Å; V386-F409 HydrophobicContact CB-CE2 3.96Å; V386-F409 HydrophobicContact CB-CZ 4.1Å; V386-F409 HydrophobicContact CG1-CE2 4.31Å; V386-F409 HydrophobicContact CG1-CZ 3.93Å; I388-F409 HydrophobicContact CB-CD2 4.32Å; I388-F409 HydrophobicContact CD1-CD2 3.69Å; I388-F409 HydrophobicContact CD1-CE2 3.82Å; I388-F409 HydrophobicContact CG1-CD2 3.67Å; I388-F409 HydrophobicContact CG1-CE2 3.97Å; I388-F409 HydrophobicContact CG2-CB 4.37Å; I388-F409 HydrophobicContact CG2-CD2 4.11Å; F409-T411 HydrophobicContact CD1-CG2 4.12Å; F409-T411 HydrophobicContact CE1-CG2 3.4Å; F409-T411 VanDerWaalsContact CE1-CG2 3.4Å; F409-T411 HydrophobicContact CZ-CG2 3.84Å; F409-T416 WeakPolarHBondContact O-CG2 3.38Å; F409-L417 HydrophobicContact CB-CB 4.17Å; F409-L417 HydrophobicContact CB-CD2 4.28Å; F409-L417 PolarHBondContact N-O 3.25Å; F409-L417 PolarHBondContact O-N 2.97Å; F409-L417 VanDerWaalsContact O-N 3.12Å; F409-M448 HydrophobicContact CB-CE 3.79Å; F409-M448 HydrophobicContact CB-SD 4.11Å; F409-M448 HydrophobicContact CD1-CE 3.98Å; F409-M448 HydrophobicContact CD1-SD 3.47Å; F409-M448 WeakPolarHBondContact CD1-SD 3.43Å; F409-M448 HydrophobicContact CD2-CE 3.76Å; F409-M448 HydrophobicContact CD2-SD 4.34Å; F409-M448 HydrophobicContact CE1-SD 3.92Å; F409-M448 HydrophobicContact CE2-CE 4.34Å; F409-M448 HydrophobicContact CG-CE 3.56Å; F409-M448 HydrophobicContact CG-SD 3.71Å; F409-L451 HydrophobicContact CD2-CD2 4.46Å; F409-L451 HydrophobicContact CE2-CD1 4.15Å; F409-L451 HydrophobicContact CE2-CD2 3.77Å; F409-L451 HydrophobicContact CZ-CD1 3.82Å; F409-L451 HydrophobicContact CZ-CD2 4.1Å
410	R	95	Very high	88.6	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.1	-171.9	-52	171.5	-178	91.5	-9.5	109.7	V386 A387 S389 I408 T416 D473 L683	V386-R410 WeakPolarHBondContact CA-O 3.4Å; A387-R410 HydrophobicContact CB-CB 4.27Å; A387-R410 PolarHBondContact N-O 2.94Å; A387-R410 WeakPolarHBondContact O-CB 3.5Å; A387-R410 PolarHBondContact O-N 2.86Å; S389-R410 PolarHBondContact OG-NH1 2.78Å; S389-R410 PolarHBondContact OG-NH2 2.75Å; I408-R410 HydrophobicContact CG2-CG 3.97Å; R410-T416 HydrophobicContact CG-CG2 3.81Å; R410-D473 WeakPolarHBondContact CD-OD1 3.18Å; R410-D473 IonicContact CZ-OD1 2.85Å; R410-D473 IonicContact CZ-OD2 3.37Å; R410-D473 VanDerWaalsContact CZ-OD2 3.29Å; R410-D473 VanDerWaalsContact NE-CG 3.29Å; R410-D473 IonicContact NE-OD1 2.74Å; R410-D473 PolarHBondContact NE-OD1 3.35Å; R410-D473 IonicContact NE-OD2 3.63Å; R410-D473 PolarHBondContact NE-OD2 3.12Å; R410-D473 IonicContact NH2-OD1 3.84Å; R410-D473 IonicContact NH2-OD2 3.31Å; R410-D473 PolarHBondContact NH2-OD2 2.83Å; R410-L683 HydrophobicContact CB-CD2 4.27Å
411	T	93.3	Very high	90	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.			trans	-128.3	179.5	173.9	68.6	0	0	0	0	108.8	F226 V231 V386 F409 E413 R679 L683	F226-T411 HydrophobicContact CE2-CG2 4.13Å; F226-T411 HydrophobicContact CZ-CG2 3.86Å; V231-T411 HydrophobicContact CG1-CG2 4.04Å; V231-T411 HydrophobicContact CG2-CG2 4.37Å; V231-T411 WeakPolarHBondContact CG2-OG1 3.36Å; V386-T411 HydrophobicContact CG1-CG2 4.2Å; F409-T411 HydrophobicContact CD1-CG2 4.12Å; F409-T411 HydrophobicContact CE1-CG2 3.4Å; F409-T411 VanDerWaalsContact CE1-CG2 3.4Å; F409-T411 HydrophobicContact CZ-CG2 3.84Å; T411-E413 PolarHBondContact O-N 3.06Å; T411-E413 VanDerWaalsContact O-O 3.12Å; T411-E413 PolarHBondContact OG1-N 3.07Å; T411-R679 PolarHBondContact O-NE 2.73Å; T411-R679 VanDerWaalsContact O-NE 3.15Å; T411-L683 WeakPolarHBondContact O-CD1 3.43Å
412	T	90.1	Very high	91.1	Very high	4 Å²	4	12.8 Å²	12.8	3%	0.025	6%	0.057	C	C	.	.	S	Bend	trans	-59.4	-27.9	175.9	52.4	0	0	0	0	113.6	P385 T676 R679 Q680	P385-T412 HydrophobicContact CG-CG2 3.87Å; T412-T676 WeakPolarHBondContact O-CG2 3.26Å; T412-R679 WeakPolarHBondContact O-CD 3.18Å; T412-Q680 HydrophobicContact CG2-CB 3.88Å; T412-Q680 HydrophobicContact CG2-CG 3.81Å
413	E	88.9	Confident	91.6	Very high	8 Å²	8	11.6 Å²	11.6	4%	0.037	5%	0.052	C	C	.	.	S	Bend	trans	-67.6	149.5	172.7	-81.4	-69.3	178.5	0	0	112.5	V231 N234 T411 K415 R672 R679	V231-E413 HydrophobicContact CG2-CB 4.15Å; V231-E413 HydrophobicContact CG2-CG 4.06Å; N234-E413 WeakPolarHBondContact CB-OE1 3.23Å; N234-E413 PolarHBondContact ND2-OE1 2.72Å; T411-E413 PolarHBondContact O-N 3.06Å; T411-E413 VanDerWaalsContact O-O 3.12Å; T411-E413 PolarHBondContact OG1-N 3.07Å; E413-K415 VanDerWaalsContact C-N 3.33Å; E413-K415 PolarHBondContact O-N 3.18Å; E413-R672 IonicContact OE1-NH1 3.4Å; E413-R672 PolarHBondContact OE1-NH1 2.7Å; E413-R672 IonicContact OE2-NH1 3.91Å; E413-R672 PolarHBondContact OE2-NH1 3.07Å; E413-R679 WeakPolarHBondContact O-CD 3.14Å; E413-R679 PolarHBondContact O-NE 2.76Å
414	M	86.3	Confident	91.4	Very high	43 Å²	43	12.4 Å²	12.4	21%	0.212	6%	0.058	C	C	.	.	S	Bend	trans	-66.6	-34.2	-178.8	-65	-57.5	-63.5	0	0	112.6	T416 R672 A675 R679	M414-T416 PolarHBondContact O-N 3.1Å; M414-T416 PolarHBondContact O-OG1 3.01Å; M414-R672 HydrophobicContact CG-CG 4.41Å; M414-A675 HydrophobicContact CE-CB 3.85Å; M414-A675 HydrophobicContact CG-CB 4.19Å; M414-A675 HydrophobicContact SD-CB 3.56Å; M414-A675 VanDerWaalsContact SD-CB 3.56Å; M414-R679 HydrophobicContact SD-CB 4.24Å
415	K	89.2	Confident	91	Very high	40 Å²	40	11.6 Å²	11.6	17%	0.174	5%	0.054	C	C	.	.			trans	-61.3	129.6	175.3	-57.2	-177.4	-171.2	169.2	0	109.9	L225 F226 E230 E413	L225-K415 HydrophobicContact CB-CD 4.27Å; L225-K415 WeakPolarHBondContact O-CD 3.4Å; L225-K415 WeakPolarHBondContact O-CE 3.41Å; L225-K415 PolarHBondContact O-NZ 2.88Å; F226-K415 HydrophobicContact CD2-CB 4.3Å; F226-K415 WeakPolarHBondContact CD2-O 3.22Å; E230-K415 IonicContact OE1-NZ 3.85Å; E230-K415 IonicContact OE2-NZ 2.74Å; E230-K415 PolarHBondContact OE2-NZ 3.38Å; E413-K415 VanDerWaalsContact C-N 3.33Å; E413-K415 PolarHBondContact O-N 3.18Å
416	T	92.1	Very high	90.4	Very high	3 Å²	3	11.5 Å²	11.5	2%	0.018	5%	0.054	C	C	.	.			trans	-124.5	128.3	-178	-58.7	0	0	0	0	110.9	I408 F409 R410 M414 R418 R679	I408-T416 HydrophobicContact CG2-CG2 3.55Å; F409-T416 WeakPolarHBondContact O-CG2 3.38Å; R410-T416 HydrophobicContact CG-CG2 3.81Å; M414-T416 PolarHBondContact O-N 3.1Å; M414-T416 PolarHBondContact O-OG1 3.01Å; T416-R418 HydrophobicContact CG2-CG 4.1Å; T416-R418 PolarHBondContact O-N 2.76Å; T416-R418 PolarHBondContact O-NE 3.03Å; T416-R679 PolarHBondContact OG1-NH2 3.01Å
417	L	94.1	Very high	89.3	Confident	10 Å²	10	14.2 Å²	14.2	5%	0.052	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	115.9	175.6	-177	69	0	0	0	109.1	F216 F226 I408 F409 M448	F216-L417 HydrophobicContact CE1-CD1 3.81Å; F216-L417 HydrophobicContact CE1-CG 4.17Å; F216-L417 HydrophobicContact CZ-CD1 4.39Å; F216-L417 HydrophobicContact CZ-CG 4.24Å; F226-L417 HydrophobicContact CB-CB 4.33Å; F226-L417 HydrophobicContact CB-CD1 4.39Å; F226-L417 HydrophobicContact CD1-CB 3.7Å; F226-L417 HydrophobicContact CD1-CD1 4.23Å; F226-L417 HydrophobicContact CD1-CD2 4.33Å; F226-L417 HydrophobicContact CD1-CG 4.31Å; F226-L417 HydrophobicContact CD2-CB 4.25Å; F226-L417 HydrophobicContact CE1-CB 4.09Å; F226-L417 HydrophobicContact CG-CB 3.8Å; I408-L417 CarbonylContact C-O 3.56Å; I408-L417 VanDerWaalsContact CA-O 3.31Å; I408-L417 WeakPolarHBondContact CA-O 3.22Å; F409-L417 HydrophobicContact CB-CB 4.17Å; F409-L417 HydrophobicContact CB-CD2 4.28Å; F409-L417 PolarHBondContact N-O 3.25Å; F409-L417 PolarHBondContact O-N 2.97Å; F409-L417 VanDerWaalsContact O-N 3.12Å; L417-M448 HydrophobicContact CD2-SD 3.9Å
418	R	94.9	Very high	87.8	Confident	4 Å²	4	15 Å²	15	2%	0.015	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.5	-177.3	-71.5	168	-76.1	-149.3	-1.3	108.7	Y219 D220 Q222 S223 D358 G360 A361 Y363 I408 T416	Y219-R418 WeakPolarHBondContact CB-O 3.42Å; Y219-R418 PolarHBondContact N-O 2.93Å; D220-R418 IonicContact OD1-CZ 2.77Å; D220-R418 IonicContact OD1-NE 2.71Å; D220-R418 IonicContact OD1-NH2 3.49Å; D220-R418 VanDerWaalsContact OD2-CB 3.32Å; D220-R418 WeakPolarHBondContact OD2-CB 3.33Å; D220-R418 VanDerWaalsContact OD2-CD 3.24Å; D220-R418 WeakPolarHBondContact OD2-CD 3.27Å; D220-R418 IonicContact OD2-CZ 2.66Å; D220-R418 IonicContact OD2-NE 3.51Å; D220-R418 PolarHBondContact OD2-NE 3.01Å; D220-R418 IonicContact OD2-NH2 3.99Å; Q222-R418 VanDerWaalsContact CB-NH2 3.31Å; Q222-R418 VanDerWaalsContact OE1-NH2 3.08Å; S223-R418 VanDerWaalsContact CB-O 3.24Å; S223-R418 WeakPolarHBondContact CB-O 3.33Å; S223-R418 PolarHBondContact OG-O 2.68Å; D358-R418 IonicContact OD1-CZ 3.63Å; D358-R418 IonicContact OD1-NH1 2.94Å; D358-R418 IonicContact OD1-NH2 3.52Å; D358-R418 PolarHBondContact OD1-NH2 3.03Å; D358-R418 IonicContact OD2-CZ 3.63Å; D358-R418 IonicContact OD2-NH1 3.27Å; D358-R418 PolarHBondContact OD2-NH1 2.78Å; D358-R418 IonicContact OD2-NH2 3.49Å; D358-R418 PolarHBondContact OD2-NH2 3.05Å; G360-R418 WeakPolarHBondContact O-CD 3.41Å; A361-R418 VanDerWaalsContact CA-NH1 3.29Å; A361-R418 VanDerWaalsContact N-NH1 3.2Å; Y363-R418 HydrophobicContact CD1-CB 3.81Å; Y363-R418 HydrophobicContact CD1-CG 3.97Å; Y363-R418 HydrophobicContact CE1-CB 4.27Å; Y363-R418 HydrophobicContact CG-CB 4.3Å; Y363-R418 HydrophobicContact CG-CG 4.47Å; I408-R418 HydrophobicContact CG2-CG 4.1Å; T416-R418 HydrophobicContact CG2-CG 4.1Å; T416-R418 PolarHBondContact O-N 2.76Å; T416-R418 PolarHBondContact O-NE 3.03Å
419	G	94.3	Very high	85.5	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.9	-165.1	-178.3	0	0	0	0	0	114	F216 A217 Y363 I407	F216-G419 VanDerWaalsContact CZ-CA 3.45Å; A217-G419 CarbonylContact O-C 3.5Å; A217-G419 WeakPolarHBondContact O-CA 3.27Å; Y363-G419 VanDerWaalsContact OH-C 3.29Å; Y363-G419 PolarHBondContact OH-O 2.83Å; I407-G419 PolarHBondContact N-O 3.38Å; I407-G419 PolarHBondContact O-N 3.17Å
420	S	93.2	Very high	83.3	Confident	1 Å²	1	20 Å²	20	1%	0.007	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	162.9	-177.4	72.4	0	0	0	0	114	A217 N404 Y405	A217-S420 PolarHBondContact N-O 2.93Å; A217-S420 PolarHBondContact O-N 3.46Å; N404-S420 WeakPolarHBondContact ND2-CB 3.31Å; N404-S420 PolarHBondContact ND2-OG 3.24Å; N404-S420 VanDerWaalsContact OD1-CB 3.29Å; N404-S420 WeakPolarHBondContact OD1-CB 3.42Å; N404-S420 PolarHBondContact OD1-OG 2.92Å; Y405-S420 CarbonylContact O-C 3.59Å; Y405-S420 WeakPolarHBondContact O-CA 3.35Å; Y405-S420 WeakPolarHBondContact O-CB 3.27Å
421	I	90.8	Very high	81.1	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	131.3	179.1	-174.8	163.4	0	0	0	111.9	N215 F216 N404 Y405 I407 S425 V426 L443 F446 I447	N215-I421 HydrophobicContact CB-CD1 4.26Å; N215-I421 WeakPolarHBondContact O-CG1 2.76Å; F216-I421 HydrophobicContact CD2-CB 4.42Å; N404-I421 PolarHBondContact OD1-N 2.88Å; N404-I421 VanDerWaalsContact OD1-N 3.11Å; N404-I421 PolarHBondContact OD1-O 3.21Å; Y405-I421 PolarHBondContact N-O 3.22Å; Y405-I421 PolarHBondContact O-N 2.93Å; I407-I421 HydrophobicContact CD1-CG2 4.08Å; I421-S425 WeakPolarHBondContact CG1-OG 3.42Å; I421-V426 HydrophobicContact CD1-CG2 3.63Å; I421-V426 HydrophobicContact CG1-CG2 3.95Å; I421-L443 HydrophobicContact CG2-CD2 4.3Å; I421-F446 HydrophobicContact CD1-CD1 3.88Å; I421-F446 HydrophobicContact CD1-CE1 3.65Å; I421-I447 HydrophobicContact CD1-CD1 4.41Å; I421-I447 HydrophobicContact CD1-CG1 4.38Å; I421-I447 HydrophobicContact CG2-CD1 4.01Å
422	L	88.3	Confident	79.2	Confident	3 Å²	3	32.9 Å²	32.9	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135.2	179.5	-65.2	169.8	0	0	0	111.3	Q402 N404 E424 S425 A721	Q402-L422 HydrophobicContact CG-CD2 4.33Å; N404-L422 HydrophobicContact CB-CD2 4.03Å; L422-E424 PolarHBondContact O-N 3.28Å; L422-S425 PolarHBondContact O-N 3.18Å; L422-S425 PolarHBondContact O-OG 3.18Å; L422-A721 VanDerWaalsContact CD1-O 3.23Å; L422-A721 WeakPolarHBondContact CD1-O 3.44Å
423	E	85.5	Confident	77.1	Confident	10 Å²	10	38 Å²	38	5%	0.047	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.6	-177	-174.5	161	175.3	0	0	113.7	R392 Y403 Y405 H432 G437 L438	R392-E423 IonicContact CZ-OE2 3.23Å; R392-E423 VanDerWaalsContact CZ-OE2 3.26Å; R392-E423 IonicContact NE-OE2 2.76Å; R392-E423 PolarHBondContact NE-OE2 2.71Å; R392-E423 IonicContact NH2-OE1 3.95Å; R392-E423 IonicContact NH2-OE2 3.53Å; R392-E423 PolarHBondContact NH2-OE2 2.98Å; Y403-E423 WeakPolarHBondContact CB-OE2 3.42Å; Y403-E423 PolarHBondContact O-N 3.47Å; Y405-E423 HydrophobicContact CD2-CB 4.35Å; Y405-E423 HydrophobicContact CE2-CB 3.99Å; Y405-E423 HydrophobicContact CE2-CG 4.04Å; Y405-E423 WeakPolarHBondContact CE2-OE2 3.46Å; E423-H432 PolarHBondContact O-ND1 2.92Å; E423-G437 VanDerWaalsContact OE1-CA 3.27Å; E423-G437 WeakPolarHBondContact OE1-CA 3.41Å; E423-L438 HydrophobicContact CG-CD1 3.86Å; E423-L438 HydrophobicContact CG-CG 3.95Å; E423-L438 PolarHBondContact OE1-N 3.06Å
424	E	80.9	Confident	75.6	Confident	81 Å²	81	40.9 Å²	40.9	38%	0.379	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-24.2	178.8	-60.9	175.7	127.2	0	0	113.6	Q402 L422 A718 A721	Q402-E424 PolarHBondContact NE2-OE2 3.28Å; L422-E424 PolarHBondContact O-N 3.28Å; E424-A718 PolarHBondContact O-N 3.4Å; E424-A718 VanDerWaalsContact O-N 3.17Å; E424-A721 HydrophobicContact CB-CB 4.02Å
425	S	81.4	Confident	74.3	Confident	2 Å²	2	45 Å²	45	1%	0.014	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-18.9	178.8	71.3	0	0	0	0	112.8	N215 I421 L422 P427 E722	N215-S425 PolarHBondContact ND2-O 2.85Å; N215-S425 VanDerWaalsContact ND2-O 3.11Å; I421-S425 WeakPolarHBondContact CG1-OG 3.42Å; L422-S425 PolarHBondContact O-N 3.18Å; L422-S425 PolarHBondContact O-OG 3.18Å; S425-P427 WeakPolarHBondContact O-CD 3.35Å; S425-E722 VanDerWaalsContact CB-OE2 3.22Å; S425-E722 WeakPolarHBondContact CB-OE2 3.48Å
426	V	79.7	Confident	73.1	Confident	9 Å²	9	53.1 Å²	53.1	6%	0.055	28%	0.282	C	S	.	.	S	Bend	trans	-83.4	122.4	178.7	-176.1	0	0	0	0	110.1	I421 S428 L438 L443 F446	I421-V426 HydrophobicContact CD1-CG2 3.63Å; I421-V426 HydrophobicContact CG1-CG2 3.95Å; V426-S428 PolarHBondContact O-N 2.96Å; V426-L438 HydrophobicContact CB-CD1 3.74Å; V426-L438 HydrophobicContact CG1-CD1 3.91Å; V426-L438 HydrophobicContact CG2-CD1 3.97Å; V426-L443 HydrophobicContact CG2-CD2 4.02Å; V426-F446 HydrophobicContact CG1-CG 4.47Å; V426-F446 HydrophobicContact CG2-CD1 4.4Å
427	P	70.8	Confident	72.3	Confident	78 Å²	78	53.7 Å²	53.7	51%	0.506	29%	0.288	S	S	.	.			trans	-66.6	88.6	-177.9	-23.3	35.8	0	0	0	114.5	S425 F446	S425-P427 WeakPolarHBondContact O-CD 3.35Å; P427-F446 HydrophobicContact CG-CE2 4.24Å
428	S	63.1	Low	71.6	Confident	18 Å²	18	54.3 Å²	54.3	13%	0.126	29%	0.292	C	S	.	.			trans	-87.9	132.8	-178.9	-171.3	0	0	0	0	113.4	V426 A430	V426-S428 PolarHBondContact O-N 2.96Å; S428-A430 VanDerWaalsContact C-N 3.32Å; S428-A430 PolarHBondContact OG-N 2.76Å; S428-A430 PolarHBondContact OG-O 3.42Å
429	A	48.9	Very low	71.1	Confident	53 Å²	53	56.3 Å²	56.3	44%	0.438	31%	0.307	S	S	.	.	S	Bend	trans	-88.8	5.3	166.7	0	0	0	0	0	112.8	K712	A429-K712 WeakPolarHBondContact O-CE 3.48Å; A429-K712 PolarHBondContact O-NZ 3.04Å
430	A	49.5	Very low	70.8	Confident	53 Å²	53	57.4 Å²	57.4	44%	0.438	31%	0.314	S	S	.	.	S	Bend	trans	-111.9	151.1	169.2	0	0	0	0	0	108.7	S428 H432	S428-A430 VanDerWaalsContact C-N 3.32Å; S428-A430 PolarHBondContact OG-N 2.76Å; S428-A430 PolarHBondContact OG-O 3.42Å; A430-H432 PolarHBondContact O-N 3.32Å
431	R	49.1	Very low	70.5	Confident	200 Å²	200	58.9 Å²	58.9	76%	0.755	32%	0.32	S	S	*	.			trans	-59.1	139.2	174	-66.7	-174	176.2	-151.4	-2.1	109.1	T433	R431-T433 HydrophobicContact CB-CG2 4.41Å; R431-T433 PolarHBondContact O-N 2.86Å
432	H	52.8	Low	70.2	Confident	70 Å²	70	66 Å²	66	32%	0.324	35%	0.347	S	S	.	.	S	Bend	trans	-71.3	43.9	179.2	-57.4	-102.9	0	0	0	112	E423 A430	E423-H432 PolarHBondContact O-ND1 2.92Å; A430-H432 PolarHBondContact O-N 3.32Å
433	T	45.6	Very low	70.1	Confident	111 Å²	111	65.9 Å²	65.9	68%	0.681	35%	0.346	S	S	*	.			trans	-141.6	17.3	-166.8	69.2	0	0	0	0	112.7	R431	R431-T433 HydrophobicContact CB-CG2 4.41Å; R431-T433 PolarHBondContact O-N 2.86Å
434	T	57.2	Low	70.2	Confident	69 Å²	69	65.4 Å²	65.4	42%	0.423	34%	0.344	S	S	.	.			trans	-88.9	126.1	170.7	46.1	0	0	0	0	109.6	R436 G437	T434-R436 PolarHBondContact O-N 3.28Å; T434-G437 PolarHBondContact O-N 2.74Å
435	P	59.3	Low	70.5	Confident	129 Å²	129	65 Å²	65	84%	0.838	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	5.8	-176.3	28.2	-36.3	0	0	0	114.9
436	R	63.1	Low	70.7	Confident	212 Å²	212	67.7 Å²	67.7	80%	0.8	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-5.3	171.3	-67.1	-176.9	174.3	-180	-2.9	113.5	T434	T434-R436 PolarHBondContact O-N 3.28Å
437	G	76	Confident	71	Confident	14 Å²	14	67.9 Å²	67.9	14%	0.144	35%	0.354	C	S	.	.			trans	60.8	-163.1	-176.6	0	0	0	0	0	115.3	Y405 E423 T434	Y405-G437 WeakPolarHBondContact OH-CA 3.5Å; E423-G437 VanDerWaalsContact OE1-CA 3.27Å; E423-G437 WeakPolarHBondContact OE1-CA 3.41Å; T434-G437 PolarHBondContact O-N 2.74Å
438	L	80	Confident	71.7	Confident	24 Å²	24	64.5 Å²	64.5	13%	0.126	33%	0.332	C	S	.	.	S	Bend	trans	-66.5	147.7	168.6	-59.4	173.1	0	0	0	111.9	Y405 E423 V426 L443	Y405-L438 HydrophobicContact CE2-CB 4.24Å; Y405-L438 HydrophobicContact CE2-CD1 4.3Å; Y405-L438 HydrophobicContact CE2-CG 4.47Å; Y405-L438 PolarHBondContact OH-N 2.94Å; Y405-L438 PolarHBondContact OH-O 2.99Å; Y405-L438 VanDerWaalsContact OH-O 3.08Å; E423-L438 HydrophobicContact CG-CD1 3.86Å; E423-L438 HydrophobicContact CG-CG 3.95Å; E423-L438 PolarHBondContact OE1-N 3.06Å; V426-L438 HydrophobicContact CB-CD1 3.74Å; V426-L438 HydrophobicContact CG1-CD1 3.91Å; V426-L438 HydrophobicContact CG2-CD1 3.97Å; L438-L443 HydrophobicContact CB-CD2 4.4Å; L438-L443 HydrophobicContact CB-CG 4.45Å; L438-L443 HydrophobicContact CD1-CD2 3.86Å
439	S	84.3	Confident	72.7	Confident	46 Å²	46	68.2 Å²	68.2	32%	0.322	36%	0.355	S	S	.	.			trans	-84.9	145.5	175.9	62.3	0	0	0	0	112.4	K441 R442 L443	S439-K441 PolarHBondContact O-N 3.43Å; S439-K441 VanDerWaalsContact O-N 3.14Å; S439-R442 PolarHBondContact O-N 3.34Å; S439-L443 PolarHBondContact O-N 3.13Å
440	P	86.4	Confident	74.3	Confident	23 Å²	23	70 Å²	70	15%	0.149	36%	0.355	C	S	.	.	H	α-helix	trans	-53.4	-37.3	-179.1	-29.3	35.7	0	0	0	114.1	F376 F390 R442 L443 L444 I696	F376-P440 HydrophobicContact CE2-CB 4.07Å; F376-P440 HydrophobicContact CE2-CG 4.11Å; F376-P440 HydrophobicContact CZ-CB 4.32Å; F376-P440 HydrophobicContact CZ-CG 4.22Å; F390-P440 HydrophobicContact CD1-CB 4.46Å; F390-P440 HydrophobicContact CD2-CB 4.19Å; F390-P440 HydrophobicContact CE1-CB 4.49Å; F390-P440 HydrophobicContact CE2-CB 4.21Å; F390-P440 HydrophobicContact CG-CB 4.33Å; F390-P440 HydrophobicContact CZ-CB 4.39Å; P440-R442 VanDerWaalsContact C-N 3.34Å; P440-R442 PolarHBondContact O-N 2.82Å; P440-L443 PolarHBondContact O-N 3.41Å; P440-L444 PolarHBondContact O-N 2.72Å; P440-I696 HydrophobicContact CB-CD1 4.2Å; P440-I696 HydrophobicContact CB-CG1 4.33Å
441	K	87	Confident	76	Confident	31 Å²	31	67.9 Å²	67.9	14%	0.135	34%	0.336	C	S	.	.	H	α-helix	trans	-56.6	-44.7	174.8	-166.2	-175.8	-174.6	157.5	0	112.5	S439 L443 L444 E445 L453 I696 D697	S439-K441 PolarHBondContact O-N 3.43Å; S439-K441 VanDerWaalsContact O-N 3.14Å; K441-L443 VanDerWaalsContact C-N 3.31Å; K441-L443 PolarHBondContact O-N 2.79Å; K441-L444 PolarHBondContact O-N 3.26Å; K441-E445 WeakPolarHBondContact CD-OE1 3.37Å; K441-E445 WeakPolarHBondContact CE-OE1 3.19Å; K441-E445 HydrophobicContact CG-CG 4.32Å; K441-E445 WeakPolarHBondContact O-CB 3.39Å; K441-E445 VanDerWaalsContact O-CG 3.31Å; K441-E445 WeakPolarHBondContact O-CG 3.36Å; K441-E445 PolarHBondContact O-N 3.3Å; K441-L453 HydrophobicContact CG-CD1 3.8Å; K441-I696 HydrophobicContact CB-CD1 4.5Å; K441-I696 HydrophobicContact CB-CG1 4.22Å; K441-I696 HydrophobicContact CG-CG2 4.45Å; K441-D697 WeakPolarHBondContact CD-OD1 3.48Å; K441-D697 WeakPolarHBondContact CE-OD1 3.4Å; K441-D697 IonicContact NZ-OD1 2.61Å; K441-D697 PolarHBondContact NZ-OD1 2.75Å; K441-D697 IonicContact NZ-OD2 2.88Å; K441-D697 PolarHBondContact NZ-OD2 3.04Å
442	R	84.9	Confident	77.8	Confident	150 Å²	150	61.1 Å²	61.1	57%	0.566	32%	0.315	S	S	*	.	H	α-helix	trans	-70.2	-28.2	-179.1	-70.2	-54.9	-166.7	177.8	-2.2	113	S439 P440 E445 F446	S439-R442 PolarHBondContact O-N 3.34Å; P440-R442 VanDerWaalsContact C-N 3.34Å; P440-R442 PolarHBondContact O-N 2.82Å; R442-E445 WeakPolarHBondContact CD-OE2 3.28Å; R442-E445 IonicContact CZ-OE2 2.68Å; R442-E445 IonicContact NE-OE2 2.92Å; R442-E445 IonicContact NH1-OE1 3.66Å; R442-E445 IonicContact NH1-OE2 3.38Å; R442-E445 PolarHBondContact NH1-OE2 3.48Å; R442-F446 WeakPolarHBondContact O-CB 3.43Å; R442-F446 PolarHBondContact O-N 3.16Å
443	L	86.9	Confident	79.5	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-70.1	-44.2	171.4	-63.8	170.8	0	0	0	110.5	F390 Y405 I421 V426 L438 S439 P440 K441 F446 I447	F390-L443 HydrophobicContact CD1-CD1 4.29Å; F390-L443 HydrophobicContact CE1-CB 4.21Å; F390-L443 HydrophobicContact CE1-CD1 4.27Å; Y405-L443 HydrophobicContact CD1-CD1 3.38Å; Y405-L443 HydrophobicContact CD2-CD1 4.21Å; Y405-L443 HydrophobicContact CD2-CD2 4.47Å; Y405-L443 HydrophobicContact CE1-CD1 3.72Å; Y405-L443 HydrophobicContact CG-CD1 3.63Å; I421-L443 HydrophobicContact CG2-CD2 4.3Å; V426-L443 HydrophobicContact CG2-CD2 4.02Å; L438-L443 HydrophobicContact CB-CD2 4.4Å; L438-L443 HydrophobicContact CB-CG 4.45Å; L438-L443 HydrophobicContact CD1-CD2 3.86Å; S439-L443 PolarHBondContact O-N 3.13Å; P440-L443 PolarHBondContact O-N 3.41Å; K441-L443 VanDerWaalsContact C-N 3.31Å; K441-L443 PolarHBondContact O-N 2.79Å; L443-F446 PolarHBondContact O-N 3.47Å; L443-I447 HydrophobicContact CB-CD1 4.31Å; L443-I447 WeakPolarHBondContact O-CB 3.3Å; L443-I447 WeakPolarHBondContact O-CD1 3.36Å; L443-I447 WeakPolarHBondContact O-CG1 3.46Å; L443-I447 PolarHBondContact O-N 3.05Å
444	L	88.1	Confident	81.5	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-66.1	-44.4	176.8	-70.1	172.2	0	0	0	113.3	I388 F390 P440 K441 F446 I447 M448 L451 L453 L456 I696	I388-L444 HydrophobicContact CD1-CD1 3.82Å; I388-L444 HydrophobicContact CD1-CD2 3.93Å; I388-L444 HydrophobicContact CG2-CD2 4.46Å; F390-L444 HydrophobicContact CE2-CD1 4.17Å; F390-L444 HydrophobicContact CE2-CD2 4.44Å; F390-L444 HydrophobicContact CE2-CG 4.33Å; F390-L444 HydrophobicContact CZ-CD1 3.99Å; F390-L444 HydrophobicContact CZ-CD2 3.72Å; F390-L444 HydrophobicContact CZ-CG 3.65Å; P440-L444 PolarHBondContact O-N 2.72Å; K441-L444 PolarHBondContact O-N 3.26Å; L444-F446 PolarHBondContact O-N 2.89Å; L444-F446 VanDerWaalsContact O-N 3.07Å; L444-I447 PolarHBondContact O-N 2.82Å; L444-M448 HydrophobicContact CD2-CE 3.42Å; L444-M448 VanDerWaalsContact CD2-CE 3.42Å; L444-M448 CarbonylContact O-C 3.54Å; L444-M448 VanDerWaalsContact O-C 3.27Å; L444-M448 PolarHBondContact O-N 3.02Å; L444-L451 HydrophobicContact CD2-CD2 4.29Å; L444-L453 HydrophobicContact CB-CD1 4.05Å; L444-L453 HydrophobicContact CB-CD2 3.66Å; L444-L453 HydrophobicContact CD1-CD2 3.87Å; L444-L453 HydrophobicContact CG-CD2 4.33Å; L444-L456 HydrophobicContact CD1-CD1 3.63Å; L444-I696 HydrophobicContact CD1-CD1 3.49Å; L444-I696 VanDerWaalsContact CD1-CD1 3.49Å
445	E	87.4	Confident	83.1	Confident	72 Å²	72	57.1 Å²	57.1	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-56.9	-22	173.2	-74.2	173.6	-170.4	0	0	113.1	K441 R442 L453	K441-E445 WeakPolarHBondContact CD-OE1 3.37Å; K441-E445 WeakPolarHBondContact CE-OE1 3.19Å; K441-E445 HydrophobicContact CG-CG 4.32Å; K441-E445 WeakPolarHBondContact O-CB 3.39Å; K441-E445 VanDerWaalsContact O-CG 3.31Å; K441-E445 WeakPolarHBondContact O-CG 3.36Å; K441-E445 PolarHBondContact O-N 3.3Å; R442-E445 WeakPolarHBondContact CD-OE2 3.28Å; R442-E445 IonicContact CZ-OE2 2.68Å; R442-E445 IonicContact NE-OE2 2.92Å; R442-E445 IonicContact NH1-OE1 3.66Å; R442-E445 IonicContact NH1-OE2 3.38Å; R442-E445 PolarHBondContact NH1-OE2 3.48Å; E445-L453 HydrophobicContact CG-CD1 3.66Å
446	F	85.3	Confident	84.7	Confident	58 Å²	58	51 Å²	51	25%	0.254	25%	0.246	S	C	.	.	H	α-helix	trans	-96.5	-35.9	179.1	-177.5	-104	0	0	0	113.3	V213 N215 I421 V426 P427 R442 L443 L444	V213-F446 HydrophobicContact CG1-CD1 4.13Å; V213-F446 HydrophobicContact CG1-CE1 3.77Å; V213-F446 HydrophobicContact CG1-CZ 4.2Å; V213-F446 WeakPolarHBondContact CG2-O 3.29Å; N215-F446 HydrophobicContact CB-CE1 3.92Å; N215-F446 HydrophobicContact CB-CZ 4.05Å; I421-F446 HydrophobicContact CD1-CD1 3.88Å; I421-F446 HydrophobicContact CD1-CE1 3.65Å; V426-F446 HydrophobicContact CG1-CG 4.47Å; V426-F446 HydrophobicContact CG2-CD1 4.4Å; P427-F446 HydrophobicContact CG-CE2 4.24Å; R442-F446 WeakPolarHBondContact O-CB 3.43Å; R442-F446 PolarHBondContact O-N 3.16Å; L443-F446 PolarHBondContact O-N 3.47Å; L444-F446 PolarHBondContact O-N 2.89Å; L444-F446 VanDerWaalsContact O-N 3.07Å
447	I	85.8	Confident	86.2	Confident	13 Å²	13	44.8 Å²	44.8	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-95.4	-33.3	-173	-57.9	163.7	0	0	0	112.2	V213 F216 I407 I421 L443 L444	V213-I447 WeakPolarHBondContact CG2-O 3.3Å; F216-I447 HydrophobicContact CD2-CD1 4.17Å; F216-I447 HydrophobicContact CD2-CG2 4Å; F216-I447 HydrophobicContact CE2-CG2 4.41Å; F216-I447 HydrophobicContact CG-CG2 4.35Å; I407-I447 HydrophobicContact CD1-CD1 3.32Å; I421-I447 HydrophobicContact CD1-CD1 4.41Å; I421-I447 HydrophobicContact CD1-CG1 4.38Å; I421-I447 HydrophobicContact CG2-CD1 4.01Å; L443-I447 HydrophobicContact CB-CD1 4.31Å; L443-I447 WeakPolarHBondContact O-CB 3.3Å; L443-I447 WeakPolarHBondContact O-CD1 3.36Å; L443-I447 WeakPolarHBondContact O-CG1 3.46Å; L443-I447 PolarHBondContact O-N 3.05Å; L444-I447 PolarHBondContact O-N 2.82Å
448	M	85.2	Confident	87.1	Confident	7 Å²	7	46.2 Å²	46.2	3%	0.034	23%	0.226	C	C	.	.			trans	-140.2	70.4	-178.4	-66.8	-177	-65.6	0	0	110.1	L228 F409 L417 L444 E450 L451	L228-M448 HydrophobicContact CD1-CB 4.14Å; L228-M448 HydrophobicContact CD1-CG 4.11Å; L228-M448 HydrophobicContact CD1-SD 4.43Å; L228-M448 HydrophobicContact CD2-SD 4.36Å; F409-M448 HydrophobicContact CB-CE 3.79Å; F409-M448 HydrophobicContact CB-SD 4.11Å; F409-M448 HydrophobicContact CD1-CE 3.98Å; F409-M448 HydrophobicContact CD1-SD 3.47Å; F409-M448 WeakPolarHBondContact CD1-SD 3.43Å; F409-M448 HydrophobicContact CD2-CE 3.76Å; F409-M448 HydrophobicContact CD2-SD 4.34Å; F409-M448 HydrophobicContact CE1-SD 3.92Å; F409-M448 HydrophobicContact CE2-CE 4.34Å; F409-M448 HydrophobicContact CG-CE 3.56Å; F409-M448 HydrophobicContact CG-SD 3.71Å; L417-M448 HydrophobicContact CD2-SD 3.9Å; L444-M448 HydrophobicContact CD2-CE 3.42Å; L444-M448 VanDerWaalsContact CD2-CE 3.42Å; L444-M448 CarbonylContact O-C 3.54Å; L444-M448 VanDerWaalsContact O-C 3.27Å; L444-M448 PolarHBondContact O-N 3.02Å; M448-E450 PolarHBondContact O-N 2.88Å; M448-E450 VanDerWaalsContact O-N 3.13Å; M448-L451 HydrophobicContact CB-CB 4.24Å; M448-L451 HydrophobicContact CE-CD2 4.11Å; M448-L451 WeakPolarHBondContact O-CB 3.28Å; M448-L451 PolarHBondContact O-N 2.91Å
449	P	83.2	Confident	87.7	Confident	96 Å²	96	45.2 Å²	45.2	62%	0.623	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.8	-174.8	27.2	-36.1	0	0	0	114.4
450	E	82.8	Confident	88.1	Confident	91 Å²	91	44.7 Å²	44.7	43%	0.425	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.6	176.9	-71.8	-169	-129	0	0	115	L228 R382 M448	L228-E450 HydrophobicContact CD1-CB 4.49Å; R382-E450 IonicContact CZ-OE2 2.63Å; R382-E450 IonicContact NH1-OE2 2.71Å; R382-E450 PolarHBondContact NH1-OE2 3.28Å; R382-E450 IonicContact NH2-OE2 2.75Å; R382-E450 PolarHBondContact NH2-OE2 2.77Å; M448-E450 PolarHBondContact O-N 2.88Å; M448-E450 VanDerWaalsContact O-N 3.13Å
451	L	85.8	Confident	88.2	Confident	9 Å²	9	51.2 Å²	51.2	5%	0.047	25%	0.252	C	S	.	.	S	Bend	trans	-75.7	133.3	-173.8	-179.4	63.5	0	0	0	111.6	L383 I388 F409 L444 M448 L453 L456	L383-L451 HydrophobicContact CD1-CD1 3.68Å; I388-L451 HydrophobicContact CD1-CD2 3.84Å; F409-L451 HydrophobicContact CD2-CD2 4.46Å; F409-L451 HydrophobicContact CE2-CD1 4.15Å; F409-L451 HydrophobicContact CE2-CD2 3.77Å; F409-L451 HydrophobicContact CZ-CD1 3.82Å; F409-L451 HydrophobicContact CZ-CD2 4.1Å; L444-L451 HydrophobicContact CD2-CD2 4.29Å; M448-L451 HydrophobicContact CB-CB 4.24Å; M448-L451 HydrophobicContact CE-CD2 4.11Å; M448-L451 WeakPolarHBondContact O-CB 3.28Å; M448-L451 PolarHBondContact O-N 2.91Å; L451-L453 VanDerWaalsContact C-N 3.34Å; L451-L453 HydrophobicContact CB-CD2 4.08Å; L451-L453 HydrophobicContact CD2-CD2 3.94Å; L451-L453 HydrophobicContact CG-CD2 3.96Å; L451-L453 WeakPolarHBondContact O-CG 3.45Å; L451-L453 PolarHBondContact O-N 3.35Å; L451-L456 HydrophobicContact CD2-CD1 4.23Å
452	N	87.3	Confident	88.3	Confident	57 Å²	57	51.6 Å²	51.6	31%	0.305	26%	0.258	S	S	.	.			trans	-73.8	84.5	177.7	-174.2	0.7	0	0	0	111.7	D380 H454 C455	D380-N452 WeakPolarHBondContact OD2-CB 3.29Å; D380-N452 PolarHBondContact OD2-N 2.93Å; D380-N452 VanDerWaalsContact OD2-N 3.15Å; N452-H454 PolarHBondContact O-N 2.71Å; N452-H454 WeakPolarHBondContact OD1-CB 3.29Å; N452-H454 PolarHBondContact OD1-N 3.06Å; N452-C455 PolarHBondContact O-N 3.27Å; N452-C455 PolarHBondContact O-SG 3.49Å
453	L	88.9	Confident	88.5	Confident	17 Å²	17	48.3 Å²	48.3	9%	0.089	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.6	-178.1	-49.4	-172.5	0	0	0	114.1	K441 L444 E445 L451 L456	K441-L453 HydrophobicContact CG-CD1 3.8Å; L444-L453 HydrophobicContact CB-CD1 4.05Å; L444-L453 HydrophobicContact CB-CD2 3.66Å; L444-L453 HydrophobicContact CD1-CD2 3.87Å; L444-L453 HydrophobicContact CG-CD2 4.33Å; E445-L453 HydrophobicContact CG-CD1 3.66Å; L451-L453 VanDerWaalsContact C-N 3.34Å; L451-L453 HydrophobicContact CB-CD2 4.08Å; L451-L453 HydrophobicContact CD2-CD2 3.94Å; L451-L453 HydrophobicContact CG-CD2 3.96Å; L451-L453 WeakPolarHBondContact O-CG 3.45Å; L451-L453 PolarHBondContact O-N 3.35Å; L453-L456 HydrophobicContact CD2-CD1 3.97Å
454	H	87.6	Confident	88.7	Confident	132 Å²	132	54.5 Å²	54.5	61%	0.611	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-16.1	175.1	-64.5	-71.7	0	0	0	114	N452 R457	N452-H454 PolarHBondContact O-N 2.71Å; N452-H454 WeakPolarHBondContact OD1-CB 3.29Å; N452-H454 PolarHBondContact OD1-N 3.06Å; H454-R457 PolarHBondContact O-NH1 2.81Å; H454-R457 PolarHBondContact O-NH2 2.93Å
455	C	89.9	Confident	89	Confident	18 Å²	18	54.5 Å²	54.5	12%	0.122	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-29.7	170	77.2	0	0	0	0	112.2	I379 N452 R457	I379-C455 WeakPolarHBondContact O-CB 3.37Å; N452-C455 PolarHBondContact O-N 3.27Å; N452-C455 PolarHBondContact O-SG 3.49Å; C455-R457 PolarHBondContact O-NH1 2.96Å
456	L	93.1	Very high	89.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.279	C	S	.	.			trans	-72.1	132	-168.3	-61	175.4	0	0	0	113.8	V386 I388 L444 L451 L453 I696	V386-L456 HydrophobicContact CG2-CD2 4.06Å; I388-L456 HydrophobicContact CD1-CD1 3.53Å; I388-L456 HydrophobicContact CD1-CD2 3.82Å; I388-L456 HydrophobicContact CD1-CG 4.34Å; I388-L456 HydrophobicContact CG1-CD2 4.11Å; L444-L456 HydrophobicContact CD1-CD1 3.63Å; L451-L456 HydrophobicContact CD2-CD1 4.23Å; L453-L456 HydrophobicContact CD2-CD1 3.97Å; L456-I696 HydrophobicContact CD1-CD1 4.13Å
457	R	94	Very high	89.6	Confident	81 Å²	81	53.8 Å²	53.8	31%	0.306	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.1	177.1	-60.9	-65.9	172	-82	-10.8	110.3	F376 F377 H454 C455 A459 V691 T692 T694	F376-R457 CarbonylContact C-O 3.55Å; F376-R457 WeakPolarHBondContact CA-O 3.31Å; F377-R457 PolarHBondContact N-O 2.93Å; F377-R457 PolarHBondContact O-N 3.12Å; H454-R457 PolarHBondContact O-NH1 2.81Å; H454-R457 PolarHBondContact O-NH2 2.93Å; C455-R457 PolarHBondContact O-NH1 2.96Å; R457-A459 PolarHBondContact O-N 2.87Å; R457-V691 HydrophobicContact CB-CG1 3.45Å; R457-V691 VanDerWaalsContact CB-CG1 3.45Å; R457-V691 HydrophobicContact CB-CG2 4.42Å; R457-V691 HydrophobicContact CG-CG1 3.81Å; R457-T692 WeakPolarHBondContact CB-O 3.38Å; R457-T694 WeakPolarHBondContact CA-O 3.46Å
458	L	94.6	Very high	90	Very high	44 Å²	44	54.5 Å²	54.5	23%	0.23	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	130.2	175.5	-175.9	71.7	0	0	0	109.6	Q374 F376 T692 T694	Q374-L458 HydrophobicContact CB-CD1 4.44Å; F376-L458 HydrophobicContact CD1-CB 4.27Å; F376-L458 HydrophobicContact CD1-CD1 4.35Å; F376-L458 HydrophobicContact CE1-CB 4.03Å; F376-L458 HydrophobicContact CE1-CD1 3.82Å; F376-L458 HydrophobicContact CE2-CD1 4.32Å; F376-L458 HydrophobicContact CZ-CD1 3.8Å; L458-T692 WeakPolarHBondContact O-CB 3.44Å; L458-T692 WeakPolarHBondContact O-CG2 3.48Å; L458-T692 PolarHBondContact O-N 2.89Å; L458-T692 PolarHBondContact O-OG1 2.97Å; L458-T694 HydrophobicContact CB-CG2 4.4Å; L458-T694 PolarHBondContact N-O 3.04Å
459	A	93.6	Very high	90.5	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.033	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	160.2	176.1	0	0	0	0	0	112.4	N375 F377 R457	N375-A459 HydrophobicContact CB-CB 3.78Å; N375-A459 WeakPolarHBondContact O-CB 3.36Å; N375-A459 PolarHBondContact O-N 3.08Å; F377-A459 HydrophobicContact CD2-CB 3.73Å; F377-A459 HydrophobicContact CE1-CB 4.47Å; F377-A459 HydrophobicContact CE2-CB 3.34Å; F377-A459 HydrophobicContact CG-CB 4.45Å; F377-A459 HydrophobicContact CZ-CB 3.76Å; R457-A459 PolarHBondContact O-N 2.87Å
460	S	91.9	Very high	91.1	Very high	34 Å²	34	50.8 Å²	50.8	24%	0.238	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-71.3	142.7	167.9	60.9	0	0	0	0	111.4	S462 Y690	S460-S462 PolarHBondContact O-N 3.48Å; S460-Y690 WeakPolarHBondContact CB-O 3.35Å; S460-Y690 PolarHBondContact N-O 3.48Å; S460-Y690 PolarHBondContact OG-O 2.88Å
461	N	88.3	Confident	91.5	Very high	160 Å²	160	53.6 Å²	53.6	86%	0.856	27%	0.27	S	S	*	.			trans	-75.5	31.2	175.5	-70.7	4.6	0	0	0	112.8
462	S	90.1	Very high	91.9	Very high	39 Å²	39	53.2 Å²	53.2	27%	0.273	27%	0.268	S	S	.	.			trans	-74.7	133	179.9	179.1	0	0	0	0	110.5	S460 K464 V465	S460-S462 PolarHBondContact O-N 3.48Å; S462-K464 PolarHBondContact O-N 3Å; S462-K464 VanDerWaalsContact O-N 3.16Å; S462-V465 WeakPolarHBondContact O-CB 3.23Å; S462-V465 PolarHBondContact O-N 2.91Å
463	P	88.9	Confident	92.2	Very high	82 Å²	82	51 Å²	51	53%	0.532	26%	0.257	S	S	.	.	H	α-helix	trans	-53.4	-36.2	174.4	-27.8	35.7	0	0	0	113	V465 R466 D467	P463-V465 PolarHBondContact O-N 3.14Å; P463-R466 PolarHBondContact O-N 3.01Å; P463-R466 VanDerWaalsContact O-N 3.14Å; P463-D467 PolarHBondContact O-N 3.39Å
464	K	91.1	Very high	92.3	Very high	129 Å²	129	51.3 Å²	51.3	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-51.2	-41.6	174.5	-69.8	-170	175.5	-172.9	0	112.6	S462 D467 T468 Y690	S462-K464 PolarHBondContact O-N 3Å; S462-K464 VanDerWaalsContact O-N 3.16Å; K464-D467 PolarHBondContact O-N 2.91Å; K464-T468 WeakPolarHBondContact O-CB 3.47Å; K464-T468 PolarHBondContact O-N 3.01Å; K464-T468 PolarHBondContact O-OG1 2.92Å; K464-T468 VanDerWaalsContact O-OG1 3.06Å; K464-Y690 HydrophobicContact CB-CE1 4.08Å; K464-Y690 HydrophobicContact CD-CE1 4.07Å; K464-Y690 WeakPolarHBondContact CD-OH 3.43Å
465	V	93.6	Very high	92.2	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.012	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-48.4	-178.7	171.7	0	0	0	0	110.9	F377 S462 P463 D467 T468 L469 L686 Y690	F377-V465 HydrophobicContact CE2-CG1 3.63Å; F377-V465 HydrophobicContact CZ-CG1 3.44Å; F377-V465 VanDerWaalsContact CZ-CG1 3.44Å; S462-V465 WeakPolarHBondContact O-CB 3.23Å; S462-V465 PolarHBondContact O-N 2.91Å; P463-V465 PolarHBondContact O-N 3.14Å; V465-D467 VanDerWaalsContact C-N 3.33Å; V465-D467 PolarHBondContact O-N 3.3Å; V465-T468 PolarHBondContact O-N 2.96Å; V465-L469 HydrophobicContact CG1-CD1 4.15Å; V465-L469 WeakPolarHBondContact O-CB 3.44Å; V465-L469 VanDerWaalsContact O-CG 3.3Å; V465-L469 WeakPolarHBondContact O-CG 3.49Å; V465-L469 PolarHBondContact O-N 2.94Å; V465-L686 HydrophobicContact CB-CD2 4.49Å; V465-L686 HydrophobicContact CG1-CD2 4.21Å; V465-L686 HydrophobicContact CG2-CD2 4.32Å; V465-Y690 HydrophobicContact CG2-CD1 3.51Å; V465-Y690 HydrophobicContact CG2-CE1 4.43Å; V465-Y690 HydrophobicContact CG2-CG 3.7Å
466	R	92.9	Very high	91.7	Very high	66 Å²	66	48.2 Å²	48.2	25%	0.249	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-39.6	179.2	-172.8	-164.2	63.9	-157.9	-5.2	111.4	Y364 Y369 P463 L470	Y364-R466 HydrophobicContact CE1-CG 4.26Å; Y364-R466 WeakPolarHBondContact CE1-O 3.46Å; Y364-R466 WeakPolarHBondContact OH-CG 3.06Å; Y369-R466 HydrophobicContact CD2-CG 3.65Å; Y369-R466 HydrophobicContact CE2-CG 3.78Å; Y369-R466 VanDerWaalsContact CE2-NE 3.28Å; P463-R466 PolarHBondContact O-N 3.01Å; P463-R466 VanDerWaalsContact O-N 3.14Å; R466-L470 PolarHBondContact O-N 2.71Å
467	D	93.8	Very high	91.3	Very high	49 Å²	49	49.1 Å²	49.1	26%	0.262	25%	0.253	S	S	.	.	H	α-helix	trans	-77.9	-29.6	-177.5	-55	-23.1	0	0	0	111.8	Y369 P463 K464 V465 K471	Y369-D467 VanDerWaalsContact CE2-OD1 3.22Å; Y369-D467 WeakPolarHBondContact CE2-OD1 3.16Å; Y369-D467 PolarHBondContact OH-OD1 3.24Å; P463-D467 PolarHBondContact O-N 3.39Å; K464-D467 PolarHBondContact O-N 2.91Å; V465-D467 VanDerWaalsContact C-N 3.33Å; V465-D467 PolarHBondContact O-N 3.3Å; D467-K471 WeakPolarHBondContact O-CG 3.2Å; D467-K471 PolarHBondContact O-N 3.31Å
468	T	94.1	Very high	90.9	Very high	28 Å²	28	48.4 Å²	48.4	17%	0.172	26%	0.255	C	S	.	.	H	α-helix	trans	-71.4	-43.6	168.6	-64.5	0	0	0	0	111.6	K464 V465 L470 K471 L472 Y682 L686	K464-T468 WeakPolarHBondContact O-CB 3.47Å; K464-T468 PolarHBondContact O-N 3.01Å; K464-T468 PolarHBondContact O-OG1 2.92Å; K464-T468 VanDerWaalsContact O-OG1 3.06Å; V465-T468 PolarHBondContact O-N 2.96Å; T468-L470 VanDerWaalsContact C-N 3.28Å; T468-L470 PolarHBondContact O-N 3.08Å; T468-K471 PolarHBondContact O-N 3.15Å; T468-L472 VanDerWaalsContact O-CB 3.24Å; T468-L472 WeakPolarHBondContact O-CB 3.14Å; T468-L472 PolarHBondContact O-N 3.12Å; T468-Y682 HydrophobicContact CG2-CD1 4.43Å; T468-L686 HydrophobicContact CG2-CD1 4.1Å; T468-L686 HydrophobicContact CG2-CD2 4.17Å; T468-L686 HydrophobicContact CG2-CG 4.17Å
469	L	95.6	Very high	90.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-40.1	174.6	-77.3	175.6	0	0	0	112	Y364 N375 F377 A387 V465 L472 D473 L686	Y364-L469 HydrophobicContact CD1-CB 4.38Å; Y364-L469 HydrophobicContact CE1-CB 3.73Å; Y364-L469 HydrophobicContact CE2-CD1 4.35Å; N375-L469 HydrophobicContact CB-CD1 4.46Å; F377-L469 HydrophobicContact CE1-CD1 4.2Å; F377-L469 HydrophobicContact CE1-CD2 4.16Å; F377-L469 HydrophobicContact CZ-CD1 4.03Å; F377-L469 HydrophobicContact CZ-CD2 4.4Å; F377-L469 HydrophobicContact CZ-CG 4.4Å; A387-L469 HydrophobicContact CB-CD2 4.46Å; V465-L469 HydrophobicContact CG1-CD1 4.15Å; V465-L469 WeakPolarHBondContact O-CB 3.44Å; V465-L469 VanDerWaalsContact O-CG 3.3Å; V465-L469 WeakPolarHBondContact O-CG 3.49Å; V465-L469 PolarHBondContact O-N 2.94Å; L469-L472 PolarHBondContact O-N 2.82Å; L469-D473 PolarHBondContact O-N 2.64Å; L469-L686 HydrophobicContact CD2-CD1 3.74Å; L469-L686 HydrophobicContact CG-CD1 4.21Å
470	L	94.6	Very high	90.7	Very high	25 Å²	25	52.5 Å²	52.5	13%	0.131	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-49.9	174.8	-177.6	67.1	0	0	0	111.9	Y364 R365 Y369 R466 T468 L472 D473 E474	Y364-L470 HydrophobicContact CD1-CB 4.18Å; Y364-L470 HydrophobicContact CD1-CD1 4.22Å; Y364-L470 HydrophobicContact CE1-CB 4.31Å; R365-L470 HydrophobicContact CB-CD1 3.76Å; R365-L470 HydrophobicContact CG-CD1 4.27Å; Y369-L470 HydrophobicContact CD1-CD2 4.48Å; Y369-L470 HydrophobicContact CD2-CB 4.18Å; Y369-L470 HydrophobicContact CD2-CD1 4.42Å; Y369-L470 HydrophobicContact CD2-CD2 3.88Å; Y369-L470 HydrophobicContact CD2-CG 4.4Å; Y369-L470 HydrophobicContact CE1-CD2 4.31Å; Y369-L470 HydrophobicContact CE2-CB 4.23Å; Y369-L470 HydrophobicContact CE2-CD2 3.68Å; Y369-L470 HydrophobicContact CG-CD2 4.31Å; R466-L470 PolarHBondContact O-N 2.71Å; T468-L470 VanDerWaalsContact C-N 3.28Å; T468-L470 PolarHBondContact O-N 3.08Å; L470-L472 VanDerWaalsContact C-N 3.27Å; L470-L472 PolarHBondContact O-N 3.12Å; L470-D473 PolarHBondContact O-N 3.11Å; L470-E474 VanDerWaalsContact CD1-CD 3.47Å; L470-E474 HydrophobicContact CD1-CG 4.29Å; L470-E474 WeakPolarHBondContact CD1-OE2 3.29Å; L470-E474 WeakPolarHBondContact O-CB 3.44Å; L470-E474 WeakPolarHBondContact O-CG 3.4Å; L470-E474 PolarHBondContact O-N 2.81Å
471	K	92.8	Very high	90.8	Very high	149 Å²	149	51 Å²	51	65%	0.648	26%	0.261	S	S	*	.	H	α-helix	trans	-61.6	-35	177.1	-71.9	173.4	178.7	-176.7	0	113.1	D467 T468 Q475	D467-K471 WeakPolarHBondContact O-CG 3.2Å; D467-K471 PolarHBondContact O-N 3.31Å; T468-K471 PolarHBondContact O-N 3.15Å; K471-Q475 WeakPolarHBondContact O-CA 3.47Å; K471-Q475 PolarHBondContact O-N 2.87Å
472	L	93.1	Very high	91.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-73.7	-39.1	-179.1	173.9	154.6	0	0	0	112.1	T468 L469 L470 R679 L683 L686	T468-L472 VanDerWaalsContact O-CB 3.24Å; T468-L472 WeakPolarHBondContact O-CB 3.14Å; T468-L472 PolarHBondContact O-N 3.12Å; L469-L472 PolarHBondContact O-N 2.82Å; L470-L472 VanDerWaalsContact C-N 3.27Å; L470-L472 PolarHBondContact O-N 3.12Å; L472-R679 PolarHBondContact O-NH1 3.35Å; L472-L683 HydrophobicContact CD1-CD2 3.64Å; L472-L683 HydrophobicContact CD1-CG 3.84Å; L472-L683 HydrophobicContact CD2-CD2 4.39Å; L472-L686 HydrophobicContact CD1-CD1 4.33Å
473	D	93.3	Very high	91.6	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.059	22%	0.216	C	C	.	.	H	α-helix	trans	-72	-40.2	175	-72	-25	0	0	0	110.9	A361 Y364 R410 L469 L470 Q475 R679	A361-D473 VanDerWaalsContact CB-O 3.27Å; A361-D473 WeakPolarHBondContact CB-O 3.35Å; Y364-D473 VanDerWaalsContact CB-OD2 3.23Å; Y364-D473 WeakPolarHBondContact CB-OD2 3.29Å; R410-D473 WeakPolarHBondContact CD-OD1 3.18Å; R410-D473 IonicContact CZ-OD1 2.85Å; R410-D473 IonicContact CZ-OD2 3.37Å; R410-D473 VanDerWaalsContact CZ-OD2 3.29Å; R410-D473 VanDerWaalsContact NE-CG 3.29Å; R410-D473 IonicContact NE-OD1 2.74Å; R410-D473 PolarHBondContact NE-OD1 3.35Å; R410-D473 IonicContact NE-OD2 3.63Å; R410-D473 PolarHBondContact NE-OD2 3.12Å; R410-D473 IonicContact NH2-OD1 3.84Å; R410-D473 IonicContact NH2-OD2 3.31Å; R410-D473 PolarHBondContact NH2-OD2 2.83Å; L469-D473 PolarHBondContact O-N 2.64Å; L470-D473 PolarHBondContact O-N 3.11Å; D473-Q475 VanDerWaalsContact C-N 3.31Å; D473-Q475 PolarHBondContact O-N 2.85Å; D473-R679 IonicContact OD1-NH2 3.51Å
474	E	91.6	Very high	92	Very high	23 Å²	23	39.6 Å²	39.6	11%	0.107	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-89.5	10.5	-176.8	-58.8	-179.7	154	0	0	113.8	A361 H362 R365 L470 G476 L477	A361-E474 HydrophobicContact CB-CG 4.4Å; H362-E474 IonicContact CE1-OE1 3.59Å; H362-E474 IonicContact CG-OE1 3.8Å; H362-E474 IonicContact ND1-OE1 2.69Å; H362-E474 PolarHBondContact ND1-OE1 3.17Å; R365-E474 VanDerWaalsContact CB-OE1 3.32Å; R365-E474 WeakPolarHBondContact CB-OE1 3.49Å; R365-E474 IonicContact CZ-OE1 3.28Å; R365-E474 VanDerWaalsContact CZ-OE1 3.29Å; R365-E474 IonicContact CZ-OE2 2.67Å; R365-E474 IonicContact NE-OE1 2.69Å; R365-E474 PolarHBondContact NE-OE1 2.61Å; R365-E474 IonicContact NE-OE2 3.98Å; R365-E474 PolarHBondContact NE-OE2 3.3Å; R365-E474 VanDerWaalsContact NH2-CD 3.33Å; R365-E474 IonicContact NH2-OE1 3.28Å; R365-E474 PolarHBondContact NH2-OE1 3.29Å; R365-E474 IonicContact NH2-OE2 3.41Å; R365-E474 PolarHBondContact NH2-OE2 3.22Å; L470-E474 VanDerWaalsContact CD1-CD 3.47Å; L470-E474 HydrophobicContact CD1-CG 4.29Å; L470-E474 WeakPolarHBondContact CD1-OE2 3.29Å; L470-E474 WeakPolarHBondContact O-CB 3.44Å; L470-E474 WeakPolarHBondContact O-CG 3.4Å; L470-E474 PolarHBondContact O-N 2.81Å; E474-G476 PolarHBondContact O-N 2.85Å; E474-G476 VanDerWaalsContact O-N 3.15Å; E474-L477 PolarHBondContact O-N 3.11Å
475	Q	85.1	Confident	92.3	Very high	60 Å²	60	33.5 Å²	33.5	28%	0.28	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-56.9	-30.4	179	-172.3	-174.3	-25.7	0	0	112.7	K471 D473 A675	K471-Q475 WeakPolarHBondContact O-CA 3.47Å; K471-Q475 PolarHBondContact O-N 2.87Å; D473-Q475 VanDerWaalsContact C-N 3.31Å; D473-Q475 PolarHBondContact O-N 2.85Å; Q475-A675 PolarHBondContact NE2-O 2.84Å
476	G	79.9	Confident	92.4	Very high	25 Å²	25	33.5 Å²	33.5	26%	0.258	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-93.4	11.9	175.8	0	0	0	0	0	115.2	E474	E474-G476 PolarHBondContact O-N 2.85Å; E474-G476 VanDerWaalsContact O-N 3.15Å
477	L	85.3	Confident	92.6	Very high	20 Å²	20	30.5 Å²	30.5	11%	0.105	15%	0.153	C	C	.	.			trans	-116.6	70.7	175.3	-76.1	-173.1	0	0	0	110.8	D358 L359 A361 H362 E474 F479	D358-L477 WeakPolarHBondContact O-CD1 3.15Å; D358-L477 WeakPolarHBondContact O-CD2 3.45Å; L359-L477 HydrophobicContact CD2-CD2 4.48Å; A361-L477 HydrophobicContact CB-CD1 3.73Å; A361-L477 HydrophobicContact CB-CG 4Å; H362-L477 VanDerWaalsContact CE1-CD1 3.41Å; H362-L477 WeakPolarHBondContact CE1-CD1 3.4Å; H362-L477 WeakPolarHBondContact NE2-CD1 3.46Å; E474-L477 PolarHBondContact O-N 3.11Å; L477-F479 HydrophobicContact CB-CE2 4.05Å; L477-F479 HydrophobicContact CD2-CZ 4.49Å
478	N	84.3	Confident	92.7	Very high	66 Å²	66	28.3 Å²	28.3	35%	0.353	14%	0.141	S	C	.	.			trans	-91.1	113.9	172.4	-179.5	27.5	0	0	0	111.2	Q480 R481	N478-Q480 PolarHBondContact ND2-O 2.77Å; N478-Q480 PolarHBondContact OD1-N 2.9Å; N478-Q480 PolarHBondContact OD1-O 2.67Å; N478-R481 PolarHBondContact O-NE 3Å
479	F	89.9	Confident	92.7	Very high	56 Å²	56	30.5 Å²	30.5	25%	0.246	15%	0.146	C	C	.	.			trans	-91.1	1.8	175.3	-61.6	-84.9	0	0	0	113.5	L477 D549 Y550 E551	L477-F479 HydrophobicContact CB-CE2 4.05Å; L477-F479 HydrophobicContact CD2-CZ 4.49Å; F479-D549 HydrophobicContact CD1-CB 4Å; F479-D549 HydrophobicContact CE1-CB 4.3Å; F479-Y550 HydrophobicContact CB-CD1 4.3Å; F479-Y550 HydrophobicContact CD1-CD1 4.26Å; F479-Y550 AromaticContact CD1-CE1 3.98Å; F479-Y550 HydrophobicContact CD1-CE1 3.98Å; F479-Y550 HydrophobicContact CD1-CE2 4.22Å; F479-Y550 AromaticContact CD1-CZ 3.95Å; F479-Y550 CarbonylContact O-C 3.53Å; F479-Y550 VanDerWaalsContact O-CA 3.29Å; F479-Y550 WeakPolarHBondContact O-CA 3.44Å; F479-E551 PolarHBondContact O-N 2.96Å
480	Q	93.9	Very high	92.5	Very high	77 Å²	77	33.4 Å²	33.4	36%	0.36	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	101.2	-179.7	-66.1	-173.4	-32.1	0	0	110.6	N478 Y527 E551	N478-Q480 PolarHBondContact ND2-O 2.77Å; N478-Q480 PolarHBondContact OD1-N 2.9Å; N478-Q480 PolarHBondContact OD1-O 2.67Å; Q480-Y527 HydrophobicContact CB-CD1 4.13Å; Q480-Y527 HydrophobicContact CB-CD2 3.6Å; Q480-Y527 HydrophobicContact CB-CE1 4.15Å; Q480-Y527 HydrophobicContact CB-CE2 3.6Å; Q480-Y527 HydrophobicContact CB-CG 3.85Å; Q480-Y527 HydrophobicContact CG-CD2 3.89Å; Q480-Y527 HydrophobicContact CG-CE2 4.36Å; Q480-Y527 HydrophobicContact CG-CG 4.04Å; Q480-Y527 VanDerWaalsContact OE1-CD2 3.23Å; Q480-E551 WeakPolarHBondContact CA-O 3.46Å; Q480-E551 HydrophobicContact CG-CB 4.34Å; Q480-E551 PolarHBondContact NE2-OE2 3.32Å
481	R	94.6	Very high	92.3	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.011	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	143.8	-170.8	-62.8	-72.2	-178.7	-154.3	4.3	111.4	N478 Y527 Y550 E551 I552 M553 E662 N663 E666	N478-R481 PolarHBondContact O-NE 3Å; R481-Y527 WeakPolarHBondContact O-CE1 3.36Å; R481-Y550 HydrophobicContact CG-CD1 3.81Å; R481-Y550 HydrophobicContact CG-CE1 4.29Å; R481-E551 PolarHBondContact N-O 3.22Å; R481-I552 HydrophobicContact CB-CG1 4.34Å; R481-I552 WeakPolarHBondContact O-CA 3.27Å; R481-M553 PolarHBondContact O-N 2.82Å; R481-M553 VanDerWaalsContact O-N 3.13Å; R481-E662 WeakPolarHBondContact CD-OE1 3.02Å; R481-E662 WeakPolarHBondContact CD-OE2 3.49Å; R481-E662 IonicContact CZ-OE1 3.31Å; R481-E662 IonicContact NE-OE1 2.78Å; R481-E662 IonicContact NH1-OE1 2.93Å; R481-E662 PolarHBondContact NH1-OE1 3.15Å; R481-N663 PolarHBondContact NH2-OD1 2.83Å; R481-E666 IonicContact CZ-OE1 2.8Å; R481-E666 VanDerWaalsContact CZ-OE1 3.23Å; R481-E666 IonicContact NH1-OE1 2.76Å; R481-E666 PolarHBondContact NH1-OE1 3.43Å; R481-E666 IonicContact NH2-OE1 3.32Å; R481-E666 PolarHBondContact NH2-OE1 2.89Å; R481-E666 IonicContact NH2-OE2 3.44Å
482	K	96.2	Very high	92.3	Very high	42 Å²	42	28.9 Å²	28.9	18%	0.183	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.4	-177.5	66.6	-174.2	-162.6	82.7	0	110.6	Y527 A529 M553 N578 D579	K482-Y527 HydrophobicContact CB-CE1 4.49Å; K482-A529 HydrophobicContact CB-CB 3.7Å; K482-M553 WeakPolarHBondContact CA-O 3.42Å; K482-N578 PolarHBondContact NZ-O 2.83Å; K482-D579 WeakPolarHBondContact CG-OD1 3.33Å; K482-D579 IonicContact NZ-OD1 2.87Å; K482-D579 PolarHBondContact NZ-OD1 3.12Å
483	V	98.1	Very high	92	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	120.9	-161.3	-175.4	0	0	0	0	110.1	I552 M553 F554 H555 I583 V658	V483-I552 HydrophobicContact CG2-CG2 3.8Å; V483-M553 PolarHBondContact N-O 2.87Å; V483-F554 HydrophobicContact CB-CD1 3.66Å; V483-F554 HydrophobicContact CB-CE1 3.87Å; V483-F554 HydrophobicContact CG1-CD1 3.9Å; V483-F554 HydrophobicContact CG1-CE1 3.89Å; V483-F554 HydrophobicContact CG2-CE1 4.37Å; V483-F554 CarbonylContact O-C 3.59Å; V483-F554 VanDerWaalsContact O-CA 3.28Å; V483-F554 WeakPolarHBondContact O-CA 3.42Å; V483-H555 PolarHBondContact O-N 3.01Å; V483-I583 HydrophobicContact CG1-CD1 4.16Å; V483-I583 HydrophobicContact CG1-CG1 4.13Å; V483-V658 HydrophobicContact CB-CG1 4.42Å; V483-V658 HydrophobicContact CG1-CG1 3.97Å; V483-V658 HydrophobicContact CG2-CG1 3.53Å
484	G	97.9	Very high	91.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	142.3	176.4	0	0	0	0	0	111.4	D579 V581 T582 I583	G484-D579 WeakPolarHBondContact CA-OD2 3.42Å; G484-D579 PolarHBondContact N-OD2 2.7Å; G484-D579 VanDerWaalsContact N-OD2 3.16Å; G484-V581 PolarHBondContact N-O 3.46Å; G484-V581 VanDerWaalsContact N-O 3.15Å; G484-T582 CarbonylContact O-C 3.23Å; G484-T582 WeakPolarHBondContact O-CA 3.37Å; G484-I583 PolarHBondContact O-N 3.09Å
485	V	98.1	Very high	91.7	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	102.1	170.5	-170.2	0	0	0	0	109.7	F508 L512 F554 H555 V556 S557 I583	V485-F508 HydrophobicContact CG1-CE2 3.77Å; V485-F508 HydrophobicContact CG1-CZ 3.83Å; V485-L512 HydrophobicContact CG1-CD2 4.33Å; V485-F554 HydrophobicContact CG2-CB 4.03Å; V485-F554 HydrophobicContact CG2-CD1 3.64Å; V485-F554 HydrophobicContact CG2-CG 4.17Å; V485-H555 PolarHBondContact N-O 3.11Å; V485-V556 HydrophobicContact CB-CG2 4.34Å; V485-V556 HydrophobicContact CG2-CG2 4.39Å; V485-S557 VanDerWaalsContact O-CB 3.3Å; V485-S557 WeakPolarHBondContact O-CB 3.4Å; V485-S557 PolarHBondContact O-N 3.38Å; V485-S557 PolarHBondContact O-OG 2.95Å; V485-I583 WeakPolarHBondContact CA-O 3.3Å; V485-I583 HydrophobicContact CG1-CB 4.49Å; V485-I583 HydrophobicContact CG2-CB 4.46Å
486	M	96.2	Very high	92	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	139.3	174.6	-68.6	-75.9	-83.5	0	0	109.8	M498 Y499 I576 T582 I583 V584 F585 I598	M486-M498 HydrophobicContact CE-CB 3.58Å; M486-M498 HydrophobicContact CE-CE 4.16Å; M486-M498 HydrophobicContact CE-CG 4.44Å; M486-M498 HydrophobicContact CE-SD 4.07Å; M486-Y499 HydrophobicContact CE-CD1 4.46Å; M486-Y499 HydrophobicContact CE-CD2 4.17Å; M486-Y499 HydrophobicContact CE-CE1 4.32Å; M486-Y499 HydrophobicContact CE-CE2 4Å; M486-Y499 HydrophobicContact CE-CG 4.37Å; M486-Y499 HydrophobicContact SD-CD1 3.99Å; M486-Y499 HydrophobicContact SD-CE1 3.63Å; M486-Y499 HydrophobicContact SD-CE2 4.34Å; M486-Y499 HydrophobicContact SD-CG 4.48Å; M486-I576 HydrophobicContact CG-CG2 4.04Å; M486-I576 HydrophobicContact SD-CD1 4.39Å; M486-I576 HydrophobicContact SD-CG2 3.93Å; M486-T582 HydrophobicContact CB-CG2 4.29Å; M486-T582 HydrophobicContact CG-CG2 3.58Å; M486-I583 PolarHBondContact N-O 3.2Å; M486-V584 HydrophobicContact CB-CG2 4.29Å; M486-F585 PolarHBondContact O-N 2.94Å; M486-I598 HydrophobicContact CE-CD1 4.34Å
487	Y	96.6	Very high	92.6	Very high	4 Å²	4	35 Å²	35	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.7	176.6	173	-138.3	0	0	0	109.2	R489 N501 S503 G505 F508 S557 T558 F585 E587	Y487-R489 HydrophobicContact CD1-CG 4.48Å; Y487-R489 HydrophobicContact CE1-CG 3.84Å; Y487-R489 HydrophobicContact CE2-CG 4.17Å; Y487-N501 HydrophobicContact CD1-CB 4.05Å; Y487-N501 PolarHBondContact O-ND2 3.44Å; Y487-S503 WeakPolarHBondContact CE1-O 3.45Å; Y487-G505 WeakPolarHBondContact OH-CA 3.41Å; Y487-G505 PolarHBondContact OH-N 3.44Å; Y487-F508 HydrophobicContact CD1-CD1 4.04Å; Y487-F508 HydrophobicContact CD1-CE1 4.32Å; Y487-F508 HydrophobicContact CD2-CB 3.91Å; Y487-F508 AromaticContact CD2-CD1 3.76Å; Y487-F508 HydrophobicContact CD2-CD1 3.76Å; Y487-F508 HydrophobicContact CD2-CD2 4.13Å; Y487-F508 HydrophobicContact CD2-CE1 4.31Å; Y487-F508 AromaticContact CD2-CG 3.67Å; Y487-F508 HydrophobicContact CD2-CG 3.67Å; Y487-F508 HydrophobicContact CE1-CD1 4.45Å; Y487-F508 HydrophobicContact CE2-CB 3.73Å; Y487-F508 HydrophobicContact CE2-CD1 4.21Å; Y487-F508 HydrophobicContact CE2-CG 4.02Å; Y487-F508 AromaticContact CG-CD1 3.68Å; Y487-F508 HydrophobicContact CG-CD1 3.68Å; Y487-F508 AromaticContact CG-CE1 3.88Å; Y487-F508 HydrophobicContact CG-CE1 3.88Å; Y487-F508 HydrophobicContact CG-CG 4.08Å; Y487-F508 HydrophobicContact CG-CZ 4.42Å; Y487-S557 PolarHBondContact N-OG 2.93Å; Y487-T558 HydrophobicContact CD1-CG2 3.75Å; Y487-T558 HydrophobicContact CE1-CG2 4.48Å; Y487-F585 HydrophobicContact CD2-CD1 4.07Å; Y487-F585 HydrophobicContact CE2-CD1 4.33Å; Y487-E587 HydrophobicContact CE2-CG 3.92Å; Y487-E587 WeakPolarHBondContact CE2-OE1 3.5Å; Y487-E587 PolarHBondContact OH-OE1 3.09Å; Y487-E587 PolarHBondContact OH-OE2 3.05Å
488	C	95.4	Very high	93	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.02	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	112.9	-177.4	-167.3	0	0	0	0	109.7	Q492 M498 V584 F585 Q586 E587	C488-Q492 PolarHBondContact SG-O 2.98Å; C488-M498 HydrophobicContact CB-CG 4Å; C488-M498 HydrophobicContact CB-SD 3.81Å; C488-V584 HydrophobicContact CB-CG1 4.29Å; C488-F585 WeakPolarHBondContact CA-O 3.36Å; C488-F585 WeakPolarHBondContact CB-O 3.5Å; C488-F585 PolarHBondContact N-O 3.4Å; C488-Q586 HydrophobicContact CB-CG 4.22Å; C488-Q586 WeakPolarHBondContact O-CA 3.27Å; C488-E587 PolarHBondContact O-N 3.28Å
489	R	93.8	Very high	93.4	Very high	73 Å²	73	31 Å²	31	28%	0.275	18%	0.177	S	C	.	.			trans	-84	170.1	-178.9	-62.6	179.4	172.3	-178.7	-1.2	112	Y487 G491 Q492 N501 S503 E587 A590	Y487-R489 HydrophobicContact CD1-CG 4.48Å; Y487-R489 HydrophobicContact CE1-CG 3.84Å; Y487-R489 HydrophobicContact CE2-CG 4.17Å; R489-G491 PolarHBondContact O-N 2.82Å; R489-Q492 HydrophobicContact CB-CG 4.19Å; R489-Q492 WeakPolarHBondContact O-CB 3.42Å; R489-Q492 PolarHBondContact O-N 3.03Å; R489-N501 WeakPolarHBondContact CD-OD1 3.44Å; R489-N501 PolarHBondContact NE-OD1 2.73Å; R489-S503 PolarHBondContact NH2-O 3.32Å; R489-S503 PolarHBondContact NH2-OG 3.45Å; R489-E587 WeakPolarHBondContact CA-OE2 3.37Å; R489-A590 WeakPolarHBondContact O-CA 3.16Å; R489-A590 WeakPolarHBondContact O-CB 3.36Å
490	A	91.9	Very high	93.6	Very high	61 Å²	61	30.3 Å²	30.3	50%	0.504	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	130.9	167.2	0	0	0	0	0	112.1	Q492 G589	A490-Q492 VanDerWaalsContact C-N 3.29Å; A490-Q492 PolarHBondContact O-N 3.36Å; A490-G589 WeakPolarHBondContact CA-O 3.34Å
491	G	90.5	Very high	93.6	Very high	52 Å²	52	27 Å²	27	54%	0.536	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-5.5	-178.5	0	0	0	0	0	117	R489 G589 L591	R489-G491 PolarHBondContact O-N 2.82Å; G491-G589 PolarHBondContact N-O 2.93Å; G491-L591 WeakPolarHBondContact O-CD1 3.37Å
492	Q	91.9	Very high	93.4	Very high	28 Å²	28	32.8 Å²	32.8	13%	0.131	19%	0.187	C	C	.	.			trans	-87.3	147.7	179.9	-66.1	-176.8	-27.4	0	0	112.8	C488 R489 A490 D497 N501 L591	C488-Q492 PolarHBondContact SG-O 2.98Å; R489-Q492 HydrophobicContact CB-CG 4.19Å; R489-Q492 WeakPolarHBondContact O-CB 3.42Å; R489-Q492 PolarHBondContact O-N 3.03Å; A490-Q492 VanDerWaalsContact C-N 3.29Å; A490-Q492 PolarHBondContact O-N 3.36Å; Q492-D497 HydrophobicContact CB-CB 4.28Å; Q492-D497 HydrophobicContact CG-CB 3.96Å; Q492-N501 PolarHBondContact NE2-OD1 2.82Å; Q492-N501 PolarHBondContact OE1-ND2 2.84Å; Q492-L591 WeakPolarHBondContact O-CB 3.31Å; Q492-L591 PolarHBondContact O-N 3.39Å; Q492-L591 VanDerWaalsContact O-N 3.17Å
493	S	86.6	Confident	93	Very high	45 Å²	45	34.1 Å²	34.1	32%	0.315	20%	0.202	S	C	.	.			trans	-151.1	-15.9	168.5	52.5	0	0	0	0	115.1	S597	S493-S597 PolarHBondContact O-OG 3.48Å
494	S	88.9	Confident	92.6	Very high	40 Å²	40	36.2 Å²	36.2	28%	0.28	22%	0.216	S	C	.	.	S	Bend	trans	-85	153.9	-177	90.3	0	0	0	0	113.1	E496 D497 M498	S494-E496 VanDerWaalsContact C-N 3.27Å; S494-E496 PolarHBondContact O-N 2.8Å; S494-E496 PolarHBondContact OG-N 2.8Å; S494-D497 VanDerWaalsContact CB-OD2 3.26Å; S494-D497 WeakPolarHBondContact CB-OD2 3.34Å; S494-D497 PolarHBondContact O-N 3.08Å; S494-D497 PolarHBondContact OG-N 2.83Å; S494-D497 VanDerWaalsContact OG-N 3.11Å; S494-D497 PolarHBondContact OG-OD2 2.92Å; S494-M498 WeakPolarHBondContact O-CE 3.44Å; S494-M498 PolarHBondContact O-N 3.14Å
495	E	91.1	Very high	92.2	Very high	14 Å²	14	36.6 Å²	36.6	7%	0.065	22%	0.221	C	C	.	.	H	α-helix	trans	-55.7	-42.7	172.9	179.9	174.7	-122.6	0	0	112	Y499 K573 S597 I598 R599	E495-Y499 HydrophobicContact CG-CD2 3.63Å; E495-Y499 HydrophobicContact CG-CE2 3.55Å; E495-Y499 WeakPolarHBondContact O-CD2 3.42Å; E495-Y499 PolarHBondContact O-N 2.94Å; E495-K573 IonicContact OE1-NZ 3.76Å; E495-K573 PolarHBondContact OE1-NZ 3.4Å; E495-K573 IonicContact OE2-NZ 2.73Å; E495-K573 PolarHBondContact OE2-NZ 3.28Å; E495-S597 VanDerWaalsContact CB-O 3.28Å; E495-S597 WeakPolarHBondContact CB-O 3.33Å; E495-I598 HydrophobicContact CB-CD1 3.89Å; E495-I598 HydrophobicContact CG-CD1 4.09Å; E495-R599 PolarHBondContact OE1-N 2.95Å
496	E	90.4	Very high	91.9	Very high	74 Å²	74	42.1 Å²	42.1	35%	0.346	26%	0.256	S	S	.	.	H	α-helix	trans	-70.8	-42.1	-175.7	-61.2	-170.6	-176.9	0	0	111	S494 M498 Y499 N500	S494-E496 VanDerWaalsContact C-N 3.27Å; S494-E496 PolarHBondContact O-N 2.8Å; S494-E496 PolarHBondContact OG-N 2.8Å; E496-M498 PolarHBondContact O-N 3.1Å; E496-Y499 PolarHBondContact O-N 3.17Å; E496-N500 WeakPolarHBondContact O-CB 3.47Å; E496-N500 PolarHBondContact O-N 3.06Å; E496-N500 PolarHBondContact O-ND2 3.31Å
497	D	92.2	Very high	91.7	Very high	76 Å²	76	42.5 Å²	42.5	41%	0.406	26%	0.26	S	S	.	.	H	α-helix	trans	-59.7	-49.4	177.6	-60.3	-52.2	0	0	0	111.9	Q492 S494 Y499 N500 N501	Q492-D497 HydrophobicContact CB-CB 4.28Å; Q492-D497 HydrophobicContact CG-CB 3.96Å; S494-D497 VanDerWaalsContact CB-OD2 3.26Å; S494-D497 WeakPolarHBondContact CB-OD2 3.34Å; S494-D497 PolarHBondContact O-N 3.08Å; S494-D497 PolarHBondContact OG-N 2.83Å; S494-D497 VanDerWaalsContact OG-N 3.11Å; S494-D497 PolarHBondContact OG-OD2 2.92Å; D497-Y499 VanDerWaalsContact C-N 3.35Å; D497-Y499 PolarHBondContact O-N 2.92Å; D497-N500 PolarHBondContact O-N 2.84Å; D497-N501 PolarHBondContact O-N 3.23Å
498	M	93.8	Very high	91.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62	-40.6	-179.2	-72.4	-176.9	-82.7	0	0	112.1	M486 C488 S494 E496 N501 V584 F593 I598	M486-M498 HydrophobicContact CE-CB 3.58Å; M486-M498 HydrophobicContact CE-CE 4.16Å; M486-M498 HydrophobicContact CE-CG 4.44Å; M486-M498 HydrophobicContact CE-SD 4.07Å; C488-M498 HydrophobicContact CB-CG 4Å; C488-M498 HydrophobicContact CB-SD 3.81Å; S494-M498 WeakPolarHBondContact O-CE 3.44Å; S494-M498 PolarHBondContact O-N 3.14Å; E496-M498 PolarHBondContact O-N 3.1Å; M498-N501 PolarHBondContact O-ND2 2.89Å; M498-V584 HydrophobicContact SD-CG1 4.29Å; M498-F593 HydrophobicContact CE-CD2 4.35Å; M498-F593 HydrophobicContact CE-CE2 4.19Å; M498-I598 HydrophobicContact CE-CD1 4.07Å
499	Y	94.3	Very high	91.6	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-71.4	-28.1	177.7	-84	-57	0	0	0	113.6	M486 E495 E496 D497 N501 R572 K573 I576 G577	M486-Y499 HydrophobicContact CE-CD1 4.46Å; M486-Y499 HydrophobicContact CE-CD2 4.17Å; M486-Y499 HydrophobicContact CE-CE1 4.32Å; M486-Y499 HydrophobicContact CE-CE2 4Å; M486-Y499 HydrophobicContact CE-CG 4.37Å; M486-Y499 HydrophobicContact SD-CD1 3.99Å; M486-Y499 HydrophobicContact SD-CE1 3.63Å; M486-Y499 HydrophobicContact SD-CE2 4.34Å; M486-Y499 HydrophobicContact SD-CG 4.48Å; E495-Y499 HydrophobicContact CG-CD2 3.63Å; E495-Y499 HydrophobicContact CG-CE2 3.55Å; E495-Y499 WeakPolarHBondContact O-CD2 3.42Å; E495-Y499 PolarHBondContact O-N 2.94Å; E496-Y499 PolarHBondContact O-N 3.17Å; D497-Y499 VanDerWaalsContact C-N 3.35Å; D497-Y499 PolarHBondContact O-N 2.92Å; Y499-N501 VanDerWaalsContact C-N 3.31Å; Y499-N501 PolarHBondContact O-N 3.14Å; Y499-R572 HydrophobicContact CD1-CB 3.83Å; Y499-R572 HydrophobicContact CE1-CB 4.2Å; Y499-R572 VanDerWaalsContact O-CD 3.32Å; Y499-R572 WeakPolarHBondContact O-CD 3.45Å; Y499-R572 PolarHBondContact O-NH1 3.38Å; Y499-K573 HydrophobicContact CE1-CB 4.19Å; Y499-K573 HydrophobicContact CE2-CB 4.02Å; Y499-K573 HydrophobicContact CE2-CD 3.96Å; Y499-K573 HydrophobicContact CE2-CG 4.08Å; Y499-I576 HydrophobicContact CE1-CB 4.03Å; Y499-I576 HydrophobicContact CE1-CD1 4.08Å; Y499-I576 HydrophobicContact CE1-CG2 4.21Å; Y499-G577 PolarHBondContact OH-N 3.24Å
500	N	94.2	Very high	91.6	Very high	41 Å²	41	43.5 Å²	43.5	22%	0.219	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-1.5	179.9	-77.4	-73.4	0	0	0	114.3	E496 D497 E502 Y562 T567 Q569	E496-N500 WeakPolarHBondContact O-CB 3.47Å; E496-N500 PolarHBondContact O-N 3.06Å; E496-N500 PolarHBondContact O-ND2 3.31Å; D497-N500 PolarHBondContact O-N 2.84Å; N500-E502 PolarHBondContact O-N 3.2Å; N500-Y562 HydrophobicContact CB-CE2 4.36Å; N500-T567 PolarHBondContact ND2-O 3.47Å; N500-Q569 WeakPolarHBondContact OD1-CG 3.42Å; N500-Q569 PolarHBondContact OD1-NE2 2.93Å
501	N	93.8	Very high	91.7	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.037	24%	0.244	C	C	.	.			trans	-62.2	103.5	175.9	-75.7	-34.6	0	0	0	111.8	Y487 R489 Q492 D497 M498 Y499 R572	Y487-N501 HydrophobicContact CD1-CB 4.05Å; Y487-N501 PolarHBondContact O-ND2 3.44Å; R489-N501 WeakPolarHBondContact CD-OD1 3.44Å; R489-N501 PolarHBondContact NE-OD1 2.73Å; Q492-N501 PolarHBondContact NE2-OD1 2.82Å; Q492-N501 PolarHBondContact OE1-ND2 2.84Å; D497-N501 PolarHBondContact O-N 3.23Å; M498-N501 PolarHBondContact O-ND2 2.89Å; Y499-N501 VanDerWaalsContact C-N 3.31Å; Y499-N501 PolarHBondContact O-N 3.14Å; N501-R572 PolarHBondContact O-NH1 3.44Å
502	E	89.6	Confident	92	Very high	124 Å²	124	38.2 Å²	38.2	58%	0.579	22%	0.218	S	C	*	.			trans	-71.7	-40.2	-179.1	-69.4	-169.1	-117.4	0	0	113.2	N500 Y562	N500-E502 PolarHBondContact O-N 3.2Å; E502-Y562 HydrophobicContact CG-CD1 3.66Å; E502-Y562 HydrophobicContact CG-CD2 3.72Å; E502-Y562 HydrophobicContact CG-CE1 3.7Å; E502-Y562 HydrophobicContact CG-CE2 3.74Å; E502-Y562 HydrophobicContact CG-CG 3.68Å; E502-Y562 WeakPolarHBondContact OE1-CE1 3.29Å; E502-Y562 WeakPolarHBondContact OE2-CD1 3.28Å
503	S	87.1	Confident	92.1	Very high	71 Å²	71	41.3 Å²	41.3	50%	0.497	24%	0.236	S	C	.	.	S	Bend	trans	-112.7	160.4	-178.4	54.5	0	0	0	0	112.5	Y487 R489	Y487-S503 WeakPolarHBondContact CE1-O 3.45Å; R489-S503 PolarHBondContact NH2-O 3.32Å; R489-S503 PolarHBondContact NH2-OG 3.45Å
504	S	90.6	Very high	92.5	Very high	43 Å²	43	40.9 Å²	40.9	30%	0.301	23%	0.23	S	C	.	.			trans	-100	146.1	170.7	33.3	0	0	0	0	111.5	E509	S504-E509 WeakPolarHBondContact CB-OE1 3.34Å; S504-E509 VanDerWaalsContact OG-CD 3.26Å; S504-E509 PolarHBondContact OG-OE1 2.79Å
505	G	89.6	Confident	92.8	Very high	9 Å²	9	39.1 Å²	39.1	9%	0.093	22%	0.217	C	C	.	.			trans	-85.7	158.5	170.7	0	0	0	0	0	111.9	Y487 A507 F508 E509	Y487-G505 WeakPolarHBondContact OH-CA 3.41Å; Y487-G505 PolarHBondContact OH-N 3.44Å; G505-A507 VanDerWaalsContact C-N 3.31Å; G505-A507 PolarHBondContact O-N 3.47Å; G505-F508 PolarHBondContact O-N 3.37Å; G505-E509 PolarHBondContact O-N 3.23Å
506	P	92.1	Very high	93	Very high	115 Å²	115	39.1 Å²	39.1	75%	0.747	22%	0.222	S	C	*	.	H	α-helix	trans	-60.6	-37.3	-173.1	23.8	-33.8	0	0	0	113.2	F508 E509 E510	P506-F508 VanDerWaalsContact C-N 3.3Å; P506-F508 PolarHBondContact O-N 3.12Å; P506-E509 PolarHBondContact O-N 3.13Å; P506-E510 PolarHBondContact O-N 2.92Å
507	A	92.4	Very high	93.2	Very high	10 Å²	10	41.2 Å²	41.2	8%	0.083	23%	0.231	C	C	.	.	H	α-helix	trans	-66.4	-30.8	177.5	0	0	0	0	0	113.1	G505 F511 F585 V611 P614	G505-A507 VanDerWaalsContact C-N 3.31Å; G505-A507 PolarHBondContact O-N 3.47Å; A507-F511 WeakPolarHBondContact O-CB 3.41Å; A507-F511 PolarHBondContact O-N 3.49Å; A507-F585 HydrophobicContact CB-CZ 4.3Å; A507-F585 WeakPolarHBondContact O-CZ 3.38Å; A507-V611 HydrophobicContact CB-CG1 4.07Å; A507-P614 HydrophobicContact CB-CB 3.6Å
508	F	95.3	Very high	93.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-77.4	-38.3	175.3	-178.3	-128.1	0	0	0	111.4	V485 Y487 G505 P506 F511 L512 V556 T558 F585	V485-F508 HydrophobicContact CG1-CE2 3.77Å; V485-F508 HydrophobicContact CG1-CZ 3.83Å; Y487-F508 HydrophobicContact CD1-CD1 4.04Å; Y487-F508 HydrophobicContact CD1-CE1 4.32Å; Y487-F508 HydrophobicContact CD2-CB 3.91Å; Y487-F508 AromaticContact CD2-CD1 3.76Å; Y487-F508 HydrophobicContact CD2-CD1 3.76Å; Y487-F508 HydrophobicContact CD2-CD2 4.13Å; Y487-F508 HydrophobicContact CD2-CE1 4.31Å; Y487-F508 AromaticContact CD2-CG 3.67Å; Y487-F508 HydrophobicContact CD2-CG 3.67Å; Y487-F508 HydrophobicContact CE1-CD1 4.45Å; Y487-F508 HydrophobicContact CE2-CB 3.73Å; Y487-F508 HydrophobicContact CE2-CD1 4.21Å; Y487-F508 HydrophobicContact CE2-CG 4.02Å; Y487-F508 AromaticContact CG-CD1 3.68Å; Y487-F508 HydrophobicContact CG-CD1 3.68Å; Y487-F508 AromaticContact CG-CE1 3.88Å; Y487-F508 HydrophobicContact CG-CE1 3.88Å; Y487-F508 HydrophobicContact CG-CG 4.08Å; Y487-F508 HydrophobicContact CG-CZ 4.42Å; G505-F508 PolarHBondContact O-N 3.37Å; P506-F508 VanDerWaalsContact C-N 3.3Å; P506-F508 PolarHBondContact O-N 3.12Å; F508-F511 HydrophobicContact CD2-CD1 4.11Å; F508-F511 HydrophobicContact CE2-CD1 4.18Å; F508-F511 PolarHBondContact O-N 3.21Å; F508-L512 HydrophobicContact CD1-CD1 4.12Å; F508-L512 HydrophobicContact CD2-CG 4.38Å; F508-L512 HydrophobicContact CE1-CD1 3.79Å; F508-L512 HydrophobicContact CE1-CG 4.4Å; F508-L512 HydrophobicContact CE2-CD1 4.36Å; F508-L512 HydrophobicContact CE2-CD2 4.08Å; F508-L512 HydrophobicContact CE2-CG 4.09Å; F508-L512 HydrophobicContact CZ-CD1 3.93Å; F508-L512 HydrophobicContact CZ-CD2 4.01Å; F508-L512 HydrophobicContact CZ-CG 4.1Å; F508-L512 VanDerWaalsContact O-CG 3.31Å; F508-L512 WeakPolarHBondContact O-CG 3.46Å; F508-L512 PolarHBondContact O-N 3.03Å; F508-V556 HydrophobicContact CE1-CG1 4.21Å; F508-V556 HydrophobicContact CZ-CG1 4.04Å; F508-T558 HydrophobicContact CE1-CG2 4.11Å; F508-F585 HydrophobicContact CB-CD1 3.92Å; F508-F585 HydrophobicContact CB-CE1 3.79Å; F508-F585 HydrophobicContact CB-CZ 4.43Å; F508-F585 HydrophobicContact CD2-CB 3.68Å; F508-F585 AromaticContact CD2-CD1 3.57Å; F508-F585 HydrophobicContact CD2-CD1 3.57Å; F508-F585 HydrophobicContact CD2-CD2 4.11Å; F508-F585 HydrophobicContact CD2-CE1 4.18Å; F508-F585 AromaticContact CD2-CG 3.51Å; F508-F585 HydrophobicContact CD2-CG 3.51Å; F508-F585 HydrophobicContact CE2-CB 3.76Å; F508-F585 HydrophobicContact CE2-CD1 4.48Å; F508-F585 HydrophobicContact CE2-CG 4.11Å; F508-F585 HydrophobicContact CG-CD1 4.08Å; F508-F585 HydrophobicContact CG-CE1 4.43Å; F508-F585 HydrophobicContact CG-CG 4.45Å
509	E	94.4	Very high	93.6	Very high	49 Å²	49	42 Å²	42	23%	0.229	23%	0.229	C	C	.	.	H	α-helix	trans	-59.7	-45.3	172.8	-68	-73.4	113.4	0	0	111.7	S504 G505 P506 F511 L512 D513 R518	S504-E509 WeakPolarHBondContact CB-OE1 3.34Å; S504-E509 VanDerWaalsContact OG-CD 3.26Å; S504-E509 PolarHBondContact OG-OE1 2.79Å; G505-E509 PolarHBondContact O-N 3.23Å; P506-E509 PolarHBondContact O-N 3.13Å; E509-F511 PolarHBondContact O-N 3.24Å; E509-L512 PolarHBondContact O-N 2.77Å; E509-D513 PolarHBondContact O-N 2.92Å; E509-R518 PolarHBondContact O-NH2 2.84Å; E509-R518 IonicContact OE1-NH1 3.53Å; E509-R518 IonicContact OE2-CZ 3.72Å; E509-R518 IonicContact OE2-NH1 3.73Å; E509-R518 PolarHBondContact OE2-NH1 3.01Å; E509-R518 IonicContact OE2-NH2 2.77Å; E509-R518 PolarHBondContact OE2-NH2 2.81Å
510	E	92.6	Very high	93.8	Very high	52 Å²	52	47 Å²	47	24%	0.243	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-40.5	175	176.7	168.4	-141.1	0	0	112.5	P506 D513 L514 R646	P506-E510 PolarHBondContact O-N 2.92Å; E510-D513 PolarHBondContact O-N 3.37Å; E510-L514 PolarHBondContact O-N 2.99Å; E510-R646 VanDerWaalsContact OE1-CD 3.23Å; E510-R646 WeakPolarHBondContact OE1-CD 3.45Å; E510-R646 IonicContact OE1-CZ 3.45Å; E510-R646 IonicContact OE1-NE 3.26Å; E510-R646 PolarHBondContact OE1-NE 3.05Å; E510-R646 IonicContact OE1-NH1 2.72Å; E510-R646 PolarHBondContact OE1-NH1 3.3Å
511	F	95.3	Very high	93.8	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-38.8	174.9	170.5	-100.1	0	0	0	112.7	A507 F508 E509 L514 L515 I583 F585 V609 Y621 F650 L654	A507-F511 WeakPolarHBondContact O-CB 3.41Å; A507-F511 PolarHBondContact O-N 3.49Å; F508-F511 HydrophobicContact CD2-CD1 4.11Å; F508-F511 HydrophobicContact CE2-CD1 4.18Å; F508-F511 PolarHBondContact O-N 3.21Å; E509-F511 PolarHBondContact O-N 3.24Å; F511-L514 PolarHBondContact O-N 2.96Å; F511-L515 HydrophobicContact CE1-CD2 4.13Å; F511-L515 HydrophobicContact CZ-CD2 4.31Å; F511-L515 WeakPolarHBondContact O-CB 3.5Å; F511-L515 PolarHBondContact O-N 3Å; F511-I583 HydrophobicContact CE1-CG2 4.23Å; F511-I583 HydrophobicContact CZ-CG2 4.02Å; F511-F585 HydrophobicContact CB-CD2 3.93Å; F511-F585 HydrophobicContact CB-CE2 3.45Å; F511-F585 VanDerWaalsContact CB-CE2 3.45Å; F511-F585 HydrophobicContact CB-CZ 4.13Å; F511-F585 AromaticContact CD1-CD2 3.5Å; F511-F585 HydrophobicContact CD1-CD2 3.5Å; F511-F585 VanDerWaalsContact CD1-CD2 3.5Å; F511-F585 AromaticContact CD1-CE2 3.96Å; F511-F585 HydrophobicContact CD1-CE2 3.96Å; F511-F585 HydrophobicContact CD1-CG 4.26Å; F511-F585 HydrophobicContact CD2-CD2 4.01Å; F511-F585 AromaticContact CD2-CE2 3.96Å; F511-F585 HydrophobicContact CD2-CE2 3.96Å; F511-F585 AromaticContact CE1-CD2 3.97Å; F511-F585 HydrophobicContact CE1-CD2 3.97Å; F511-F585 HydrophobicContact CE2-CD2 4.44Å; F511-F585 AromaticContact CG-CD2 3.52Å; F511-F585 HydrophobicContact CG-CD2 3.52Å; F511-F585 AromaticContact CG-CE2 3.5Å; F511-F585 HydrophobicContact CG-CE2 3.5Å; F511-F585 HydrophobicContact CZ-CD2 4.41Å; F511-V609 HydrophobicContact CD2-CG1 4.47Å; F511-V609 HydrophobicContact CE2-CG1 3.95Å; F511-V609 HydrophobicContact CZ-CG1 4.48Å; F511-Y621 HydrophobicContact CD2-CE1 4.16Å; F511-F650 HydrophobicContact CE2-CE1 4.23Å; F511-L654 HydrophobicContact CE2-CD2 3.82Å; F511-L654 HydrophobicContact CZ-CD2 3.8Å
512	L	96.3	Very high	93.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-41.6	174.7	-69.3	171.6	0	0	0	111.4	V485 F508 E509 L514 L515 G516 L543 V556 M559	V485-L512 HydrophobicContact CG1-CD2 4.33Å; F508-L512 HydrophobicContact CD1-CD1 4.12Å; F508-L512 HydrophobicContact CD2-CG 4.38Å; F508-L512 HydrophobicContact CE1-CD1 3.79Å; F508-L512 HydrophobicContact CE1-CG 4.4Å; F508-L512 HydrophobicContact CE2-CD1 4.36Å; F508-L512 HydrophobicContact CE2-CD2 4.08Å; F508-L512 HydrophobicContact CE2-CG 4.09Å; F508-L512 HydrophobicContact CZ-CD1 3.93Å; F508-L512 HydrophobicContact CZ-CD2 4.01Å; F508-L512 HydrophobicContact CZ-CG 4.1Å; F508-L512 VanDerWaalsContact O-CG 3.31Å; F508-L512 WeakPolarHBondContact O-CG 3.46Å; F508-L512 PolarHBondContact O-N 3.03Å; E509-L512 PolarHBondContact O-N 2.77Å; L512-L514 VanDerWaalsContact C-N 3.3Å; L512-L514 PolarHBondContact O-N 3.23Å; L512-L515 PolarHBondContact O-N 3.3Å; L512-L515 VanDerWaalsContact O-N 3.11Å; L512-G516 PolarHBondContact O-N 3.38Å; L512-G516 VanDerWaalsContact O-N 3.14Å; L512-L543 HydrophobicContact CB-CD2 4.47Å; L512-L543 HydrophobicContact CD2-CD2 4.1Å; L512-L543 WeakPolarHBondContact O-CD1 3.38Å; L512-L543 WeakPolarHBondContact O-CD2 3.48Å; L512-V556 HydrophobicContact CD1-CG1 3.92Å; L512-V556 HydrophobicContact CD2-CG1 3.97Å; L512-V556 HydrophobicContact CD2-CG2 3.95Å; L512-M559 HydrophobicContact CD1-CE 3.99Å
513	D	94.4	Very high	94.1	Very high	94 Å²	94	47 Å²	47	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-69.5	-26.2	178.5	-66.7	-19.8	0	0	0	112.9	E509 E510 R518	E509-D513 PolarHBondContact O-N 2.92Å; E510-D513 PolarHBondContact O-N 3.37Å; D513-R518 IonicContact OD1-CZ 2.82Å; D513-R518 IonicContact OD1-NE 3.01Å; D513-R518 PolarHBondContact OD1-NE 3.13Å; D513-R518 IonicContact OD1-NH2 2.83Å; D513-R518 PolarHBondContact OD1-NH2 3.34Å; D513-R518 IonicContact OD2-NH2 2.65Å; D513-R518 PolarHBondContact OD2-NH2 2.88Å
514	L	94.2	Very high	94.6	Very high	36 Å²	36	45.2 Å²	45.2	19%	0.188	24%	0.243	C	C	.	.	H	α-helix	trans	-73.1	-34.3	168.3	179.2	60.4	0	0	0	112.6	E510 F511 L512 Y621 R646 F650 R651	E510-L514 PolarHBondContact O-N 2.99Å; F511-L514 PolarHBondContact O-N 2.96Å; L512-L514 VanDerWaalsContact C-N 3.3Å; L512-L514 PolarHBondContact O-N 3.23Å; L514-Y621 HydrophobicContact CD2-CE2 4.03Å; L514-R646 HydrophobicContact CD2-CG 4.1Å; L514-F650 HydrophobicContact CD2-CD1 4.04Å; L514-R651 HydrophobicContact CD1-CB 4.24Å; L514-R651 HydrophobicContact CG-CB 4.38Å; L514-R651 VanDerWaalsContact O-CD 3.32Å; L514-R651 WeakPolarHBondContact O-CD 3.36Å; L514-R651 WeakPolarHBondContact O-CG 3.47Å
515	L	95.3	Very high	94.7	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-78.6	-34.2	-172.8	-177.6	63.9	0	0	0	113	F511 L512 L543 T545 F554 I583 L654 L655	F511-L515 HydrophobicContact CE1-CD2 4.13Å; F511-L515 HydrophobicContact CZ-CD2 4.31Å; F511-L515 WeakPolarHBondContact O-CB 3.5Å; F511-L515 PolarHBondContact O-N 3Å; L512-L515 PolarHBondContact O-N 3.3Å; L512-L515 VanDerWaalsContact O-N 3.11Å; L515-L543 HydrophobicContact CB-CD2 3.84Å; L515-L543 HydrophobicContact CD2-CD2 3.88Å; L515-L543 HydrophobicContact CG-CD2 3.86Å; L515-T545 PolarHBondContact O-OG1 2.88Å; L515-F554 HydrophobicContact CD1-CE1 4.24Å; L515-F554 HydrophobicContact CD1-CZ 3.79Å; L515-F554 HydrophobicContact CD2-CD1 4.14Å; L515-F554 HydrophobicContact CD2-CE1 3.75Å; L515-F554 HydrophobicContact CD2-CE2 4.22Å; L515-F554 HydrophobicContact CD2-CZ 3.79Å; L515-F554 HydrophobicContact CG-CE1 4.1Å; L515-F554 HydrophobicContact CG-CE2 3.94Å; L515-F554 HydrophobicContact CG-CZ 3.61Å; L515-I583 HydrophobicContact CD2-CD1 4.12Å; L515-L654 HydrophobicContact CD1-CD2 4.09Å; L515-L655 HydrophobicContact CD1-CD2 3.74Å; L515-L655 HydrophobicContact CD1-CG 4.43Å
516	G	94.8	Very high	95	Very high	15 Å²	15	56.7 Å²	56.7	16%	0.155	29%	0.288	C	S	.	.			trans	-172.5	-172.7	-177.7	0	0	0	0	0	116.3	L512	L512-G516 PolarHBondContact O-N 3.38Å; L512-G516 VanDerWaalsContact O-N 3.14Å
517	E	95.9	Very high	95.2	Very high	117 Å²	117	53.2 Å²	53.2	55%	0.547	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	132.6	177.1	-174.4	-175.8	-173.9	0	0	109.9	V519 L543 Y544	E517-V519 HydrophobicContact CB-CG1 4.35Å; E517-V519 HydrophobicContact CG-CG1 4.01Å; E517-V519 PolarHBondContact O-N 3.12Å; E517-L543 WeakPolarHBondContact O-CA 3.29Å; E517-Y544 PolarHBondContact N-O 3.37Å; E517-Y544 PolarHBondContact O-N 3.29Å
518	R	97.2	Very high	95.3	Very high	88 Å²	88	57.4 Å²	57.4	33%	0.332	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	115.8	172.6	-61.5	-173	-166.7	-149.4	12	110	E509 D513 L543 M559	E509-R518 PolarHBondContact O-NH2 2.84Å; E509-R518 IonicContact OE1-NH1 3.53Å; E509-R518 IonicContact OE2-CZ 3.72Å; E509-R518 IonicContact OE2-NH1 3.73Å; E509-R518 PolarHBondContact OE2-NH1 3.01Å; E509-R518 IonicContact OE2-NH2 2.77Å; E509-R518 PolarHBondContact OE2-NH2 2.81Å; D513-R518 IonicContact OD1-CZ 2.82Å; D513-R518 IonicContact OD1-NE 3.01Å; D513-R518 PolarHBondContact OD1-NE 3.13Å; D513-R518 IonicContact OD1-NH2 2.83Å; D513-R518 PolarHBondContact OD1-NH2 3.34Å; D513-R518 IonicContact OD2-NH2 2.65Å; D513-R518 PolarHBondContact OD2-NH2 2.88Å; R518-L543 HydrophobicContact CG-CD1 3.83Å; R518-M559 HydrophobicContact CG-CE 4.49Å
519	V	96.9	Very high	95.3	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.03	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.6	-173	-61	0	0	0	0	111.5	E517 L521 W524 H541 S542 M553	E517-V519 HydrophobicContact CB-CG1 4.35Å; E517-V519 HydrophobicContact CG-CG1 4.01Å; E517-V519 PolarHBondContact O-N 3.12Å; V519-L521 PolarHBondContact O-N 2.89Å; V519-W524 HydrophobicContact CB-CD2 4.46Å; V519-W524 HydrophobicContact CB-CE3 4.02Å; V519-W524 HydrophobicContact CB-CH2 3.84Å; V519-W524 HydrophobicContact CB-CZ2 4.29Å; V519-W524 HydrophobicContact CB-CZ3 3.7Å; V519-W524 HydrophobicContact CG1-CE3 4.48Å; V519-W524 HydrophobicContact CG1-CH2 3.46Å; V519-W524 VanDerWaalsContact CG1-CH2 3.46Å; V519-W524 HydrophobicContact CG1-CZ2 4.13Å; V519-W524 HydrophobicContact CG1-CZ3 3.67Å; V519-W524 HydrophobicContact CG2-CD2 4.36Å; V519-W524 HydrophobicContact CG2-CE3 4.41Å; V519-W524 HydrophobicContact CG2-CH2 4.18Å; V519-W524 HydrophobicContact CG2-CZ2 4.12Å; V519-W524 HydrophobicContact CG2-CZ3 4.33Å; V519-H541 CarbonylContact O-C 3.6Å; V519-H541 WeakPolarHBondContact O-CA 3.47Å; V519-H541 WeakPolarHBondContact O-CB 3.37Å; V519-S542 WeakPolarHBondContact CG2-O 3.41Å; V519-S542 PolarHBondContact N-O 3.21Å; V519-S542 PolarHBondContact O-N 2.81Å; V519-M553 HydrophobicContact CG2-CE 4.04Å
520	R	97.1	Very high	95.3	Very high	107 Å²	107	62.2 Å²	62.2	40%	0.404	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.5	172.3	-174.8	73.9	-163.8	-140.4	1.5	108.9	K522 D536 T540 H541	R520-K522 HydrophobicContact CG-CB 4.23Å; R520-D536 IonicContact CZ-OD1 3.56Å; R520-D536 IonicContact NE-OD1 3.51Å; R520-D536 PolarHBondContact NE-OD1 3.18Å; R520-D536 VanDerWaalsContact NH2-CG 3.3Å; R520-D536 IonicContact NH2-OD1 3.19Å; R520-D536 PolarHBondContact NH2-OD1 3.42Å; R520-D536 IonicContact NH2-OD2 2.67Å; R520-D536 PolarHBondContact NH2-OD2 2.74Å; R520-T540 WeakPolarHBondContact CD-O 3.42Å; R520-T540 PolarHBondContact NE-O 3.02Å; R520-T540 VanDerWaalsContact NE-O 3.14Å; R520-H541 VanDerWaalsContact CD-NE2 3.27Å; R520-H541 WeakPolarHBondContact CD-NE2 3.45Å
521	L	96.3	Very high	95.5	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.01	29%	0.285	C	S	.	.	S	Bend	trans	-72.2	-40.1	-179.8	-66	174.8	0	0	0	111.7	V519 G523 W524 L531 D532 N533 T540 M553	V519-L521 PolarHBondContact O-N 2.89Å; L521-G523 PolarHBondContact O-N 2.96Å; L521-W524 WeakPolarHBondContact O-CB 3.24Å; L521-W524 PolarHBondContact O-N 2.73Å; L521-L531 HydrophobicContact CD1-CB 4.19Å; L521-L531 HydrophobicContact CD1-CD1 4.14Å; L521-L531 HydrophobicContact CD2-CB 4.13Å; L521-L531 HydrophobicContact CD2-CD1 3.78Å; L521-D532 WeakPolarHBondContact CB-O 3.37Å; L521-N533 WeakPolarHBondContact O-CA 3.21Å; L521-N533 WeakPolarHBondContact O-CB 3.25Å; L521-T540 PolarHBondContact N-O 3.04Å; L521-M553 HydrophobicContact CD2-CE 4.42Å
522	K	95.9	Very high	95.5	Very high	111 Å²	111	60.7 Å²	60.7	48%	0.483	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	117.8	177.2	-165.5	-177	-146.7	124.8	0	111.6	R520 W524 N533 K534 D536	R520-K522 HydrophobicContact CG-CB 4.23Å; K522-W524 VanDerWaalsContact C-N 3.33Å; K522-N533 WeakPolarHBondContact CA-O 3.25Å; K522-K534 WeakPolarHBondContact CE-O 3.44Å; K522-D536 WeakPolarHBondContact CD-OD2 3.44Å; K522-D536 IonicContact NZ-OD2 2.61Å; K522-D536 PolarHBondContact NZ-OD2 2.81Å
523	G	93.7	Very high	95.4	Very high	58 Å²	58	62.5 Å²	62.5	60%	0.598	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	9.1	-175.8	0	0	0	0	0	114.8	L521 E525 N533	L521-G523 PolarHBondContact O-N 2.96Å; G523-E525 PolarHBondContact O-N 2.88Å; G523-N533 PolarHBondContact N-O 3.21Å
524	W	95.7	Very high	95.4	Very high	34 Å²	34	65.7 Å²	65.7	13%	0.129	31%	0.309	C	S	.	.			trans	-70.8	123.9	176.8	-171.1	-111.5	0	0	0	111.9	V519 L521 K522 K526 Y527 N533 Y544	V519-W524 HydrophobicContact CB-CD2 4.46Å; V519-W524 HydrophobicContact CB-CE3 4.02Å; V519-W524 HydrophobicContact CB-CH2 3.84Å; V519-W524 HydrophobicContact CB-CZ2 4.29Å; V519-W524 HydrophobicContact CB-CZ3 3.7Å; V519-W524 HydrophobicContact CG1-CE3 4.48Å; V519-W524 HydrophobicContact CG1-CH2 3.46Å; V519-W524 VanDerWaalsContact CG1-CH2 3.46Å; V519-W524 HydrophobicContact CG1-CZ2 4.13Å; V519-W524 HydrophobicContact CG1-CZ3 3.67Å; V519-W524 HydrophobicContact CG2-CD2 4.36Å; V519-W524 HydrophobicContact CG2-CE3 4.41Å; V519-W524 HydrophobicContact CG2-CH2 4.18Å; V519-W524 HydrophobicContact CG2-CZ2 4.12Å; V519-W524 HydrophobicContact CG2-CZ3 4.33Å; L521-W524 WeakPolarHBondContact O-CB 3.24Å; L521-W524 PolarHBondContact O-N 2.73Å; K522-W524 VanDerWaalsContact C-N 3.33Å; W524-K526 HydrophobicContact CH2-CD 3.73Å; W524-K526 HydrophobicContact CH2-CG 4.22Å; W524-K526 HydrophobicContact CZ2-CB 3.77Å; W524-K526 HydrophobicContact CZ2-CD 3.58Å; W524-K526 HydrophobicContact CZ2-CG 3.84Å; W524-Y527 PolarHBondContact NE1-O 3.43Å; W524-N533 HydrophobicContact CB-CB 4.46Å; W524-N533 PolarHBondContact O-ND2 3.46Å; W524-Y544 HydrophobicContact CH2-CD1 4.02Å; W524-Y544 HydrophobicContact CH2-CE1 4.3Å; W524-Y544 HydrophobicContact CH2-CG 4.27Å; W524-Y544 AromaticContact CZ2-CD1 3.75Å; W524-Y544 HydrophobicContact CZ2-CD1 3.75Å; W524-Y544 AromaticContact CZ2-CD2 3.78Å; W524-Y544 HydrophobicContact CZ2-CD2 3.78Å; W524-Y544 HydrophobicContact CZ2-CE1 4.02Å; W524-Y544 HydrophobicContact CZ2-CE2 4.01Å; W524-Y544 AromaticContact CZ2-CG 3.63Å; W524-Y544 HydrophobicContact CZ2-CG 3.63Å
525	E	94.3	Very high	95.3	Very high	194 Å²	194	69 Å²	69	91%	0.907	33%	0.331	S	S	*	.			trans	-101.1	-18.2	-175.8	-58.4	-169.9	146.8	0	0	114.3	G523	G523-E525 PolarHBondContact O-N 2.88Å
526	K	95.5	Very high	95.2	Very high	100 Å²	100	70.3 Å²	70.3	44%	0.435	34%	0.338	S	S	.	.	S	Bend	trans	-81	-171.3	178.6	-43.9	-175.1	-161.8	161.9	0	111.1	W524 R528 Y544	W524-K526 HydrophobicContact CH2-CD 3.73Å; W524-K526 HydrophobicContact CH2-CG 4.22Å; W524-K526 HydrophobicContact CZ2-CB 3.77Å; W524-K526 HydrophobicContact CZ2-CD 3.58Å; W524-K526 HydrophobicContact CZ2-CG 3.84Å; K526-R528 PolarHBondContact O-N 2.91Å; K526-Y544 HydrophobicContact CB-CE2 4.33Å; K526-Y544 HydrophobicContact CD-CE1 4.01Å; K526-Y544 HydrophobicContact CD-CE2 4.41Å; K526-Y544 WeakPolarHBondContact CD-OH 3.48Å
527	Y	96.2	Very high	95.1	Very high	41 Å²	41	73.1 Å²	73.1	16%	0.161	36%	0.355	C	S	.	.			trans	-53.8	133.9	174.8	-174.6	-116.1	0	0	0	112.4	Q480 R481 K482 W524 A529 M553	Q480-Y527 HydrophobicContact CB-CD1 4.13Å; Q480-Y527 HydrophobicContact CB-CD2 3.6Å; Q480-Y527 HydrophobicContact CB-CE1 4.15Å; Q480-Y527 HydrophobicContact CB-CE2 3.6Å; Q480-Y527 HydrophobicContact CB-CG 3.85Å; Q480-Y527 HydrophobicContact CG-CD2 3.89Å; Q480-Y527 HydrophobicContact CG-CE2 4.36Å; Q480-Y527 HydrophobicContact CG-CG 4.04Å; Q480-Y527 VanDerWaalsContact OE1-CD2 3.23Å; R481-Y527 WeakPolarHBondContact O-CE1 3.36Å; K482-Y527 HydrophobicContact CB-CE1 4.49Å; W524-Y527 PolarHBondContact NE1-O 3.43Å; Y527-A529 HydrophobicContact CE1-CB 3.76Å; Y527-M553 HydrophobicContact CD1-CB 3.68Å; Y527-M553 HydrophobicContact CE1-CB 3.94Å; Y527-M553 VanDerWaalsContact O-CE 3.32Å; Y527-M553 WeakPolarHBondContact O-CE 3.45Å
528	R	94.2	Very high	95	Very high	99 Å²	99	68.4 Å²	68.4	37%	0.374	33%	0.334	S	S	.	.			trans	-128.1	6.8	-172.8	73.5	-177.8	172.2	95.9	-0.8	115.6	K526 Q530 L531	K526-R528 PolarHBondContact O-N 2.91Å; R528-Q530 PolarHBondContact O-N 3.37Å; R528-L531 WeakPolarHBondContact CD-O 3.32Å; R528-L531 PolarHBondContact NH1-O 3.42Å; R528-L531 VanDerWaalsContact O-CB 3.24Å; R528-L531 WeakPolarHBondContact O-CB 3.24Å; R528-L531 WeakPolarHBondContact O-CG 3.32Å; R528-L531 PolarHBondContact O-N 3.21Å
529	A	95.1	Very high	94.8	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.008	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.7	31.9	177.8	0	0	0	0	0	117	K482 Y527 L531 M553 H555	K482-A529 HydrophobicContact CB-CB 3.7Å; Y527-A529 HydrophobicContact CE1-CB 3.76Å; A529-L531 VanDerWaalsContact C-N 3.29Å; A529-L531 PolarHBondContact O-N 2.64Å; A529-M553 HydrophobicContact CB-CB 3.85Å; A529-M553 HydrophobicContact CB-CG 3.6Å; A529-H555 WeakPolarHBondContact CB-NE2 3.47Å; A529-H555 PolarHBondContact O-CE1 3.26Å; A529-H555 PolarHBondContact O-NE2 3.22Å; A529-H555 VanDerWaalsContact O-NE2 3.11Å
530	Q	95.3	Very high	94.7	Very high	149 Å²	149	67.5 Å²	67.5	70%	0.696	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	2.8	-173.9	-46	173.2	-30.8	0	0	116.2	R528	R528-Q530 PolarHBondContact O-N 3.37Å
531	L	95.6	Very high	94.7	Very high	1 Å²	1	66 Å²	66	1%	0.005	34%	0.338	C	S	.	.			trans	-62.9	148.6	167.9	-61.4	173.1	0	0	0	111.9	L521 R528 A529 T538 M553 L560	L521-L531 HydrophobicContact CD1-CB 4.19Å; L521-L531 HydrophobicContact CD1-CD1 4.14Å; L521-L531 HydrophobicContact CD2-CB 4.13Å; L521-L531 HydrophobicContact CD2-CD1 3.78Å; R528-L531 WeakPolarHBondContact CD-O 3.32Å; R528-L531 PolarHBondContact NH1-O 3.42Å; R528-L531 VanDerWaalsContact O-CB 3.24Å; R528-L531 WeakPolarHBondContact O-CB 3.24Å; R528-L531 WeakPolarHBondContact O-CG 3.32Å; R528-L531 PolarHBondContact O-N 3.21Å; A529-L531 VanDerWaalsContact C-N 3.29Å; A529-L531 PolarHBondContact O-N 2.64Å; L531-T538 HydrophobicContact CD2-CG2 4.48Å; L531-M553 HydrophobicContact CD1-CG 4.12Å; L531-M553 HydrophobicContact CD1-SD 3.98Å; L531-L560 HydrophobicContact CD2-CD2 3.78Å
532	D	95	Very high	94.7	Very high	20 Å²	20	66 Å²	66	11%	0.107	34%	0.338	C	S	.	.			trans	-75.7	123.1	-178.9	172.6	26.1	0	0	0	112.3	L521 K534 T535 D536 S537 T538	L521-D532 WeakPolarHBondContact CB-O 3.37Å; D532-K534 PolarHBondContact OD1-N 2.93Å; D532-T535 PolarHBondContact OD1-N 3.25Å; D532-T535 VanDerWaalsContact OD1-N 3.12Å; D532-T535 VanDerWaalsContact OD2-CA 3.23Å; D532-T535 WeakPolarHBondContact OD2-CA 3.45Å; D532-T535 WeakPolarHBondContact OD2-CB 3.24Å; D532-T535 PolarHBondContact OD2-N 3.31Å; D532-T535 PolarHBondContact OD2-OG1 3.3Å; D532-D536 PolarHBondContact OD2-N 2.96Å; D532-D536 VanDerWaalsContact OD2-N 3.08Å; D532-S537 WeakPolarHBondContact CB-OG 3.33Å; D532-S537 VanDerWaalsContact CG-OG 3.27Å; D532-S537 WeakPolarHBondContact OD2-CB 3.35Å; D532-S537 PolarHBondContact OD2-N 3.05Å; D532-S537 PolarHBondContact OD2-OG 2.79Å; D532-T538 HydrophobicContact CB-CG2 3.97Å; D532-T538 PolarHBondContact N-OG1 3.31Å
533	N	95.4	Very high	94.8	Very high	39 Å²	39	60.8 Å²	60.8	21%	0.209	32%	0.315	C	S	.	.	S	Bend	trans	-105.4	11.8	177.3	70.1	-19.9	0	0	0	114.4	L521 K522 G523 W524	L521-N533 WeakPolarHBondContact O-CA 3.21Å; L521-N533 WeakPolarHBondContact O-CB 3.25Å; K522-N533 WeakPolarHBondContact CA-O 3.25Å; G523-N533 PolarHBondContact N-O 3.21Å; W524-N533 HydrophobicContact CB-CB 4.46Å; W524-N533 PolarHBondContact O-ND2 3.46Å
534	K	94.1	Very high	95	Very high	161 Å²	161	58.2 Å²	58.2	70%	0.7	29%	0.288	S	S	*	.	S	Bend	trans	-117.8	-51.4	-178.8	-61.4	-176.4	179.3	-176.4	0	113.5	K522 D532	K522-K534 WeakPolarHBondContact CE-O 3.44Å; D532-K534 PolarHBondContact OD1-N 2.93Å
535	T	92.1	Very high	95	Very high	105 Å²	105	57 Å²	57	64%	0.644	28%	0.284	S	S	*	.	S	Bend	trans	-112.8	7.5	-167.2	39.2	0	0	0	0	115	D532 S537	D532-T535 PolarHBondContact OD1-N 3.25Å; D532-T535 VanDerWaalsContact OD1-N 3.12Å; D532-T535 VanDerWaalsContact OD2-CA 3.23Å; D532-T535 WeakPolarHBondContact OD2-CA 3.45Å; D532-T535 WeakPolarHBondContact OD2-CB 3.24Å; D532-T535 PolarHBondContact OD2-N 3.31Å; D532-T535 PolarHBondContact OD2-OG1 3.3Å; T535-S537 PolarHBondContact O-N 3.19Å; T535-S537 VanDerWaalsContact O-N 3.11Å
536	D	93	Very high	95	Very high	29 Å²	29	54.4 Å²	54.4	16%	0.155	27%	0.266	C	S	.	.			trans	56	20.2	-176.7	-57.6	-83.4	0	0	0	113.4	R520 K522 D532 T538 G539 T540	R520-D536 IonicContact CZ-OD1 3.56Å; R520-D536 IonicContact NE-OD1 3.51Å; R520-D536 PolarHBondContact NE-OD1 3.18Å; R520-D536 VanDerWaalsContact NH2-CG 3.3Å; R520-D536 IonicContact NH2-OD1 3.19Å; R520-D536 PolarHBondContact NH2-OD1 3.42Å; R520-D536 IonicContact NH2-OD2 2.67Å; R520-D536 PolarHBondContact NH2-OD2 2.74Å; K522-D536 WeakPolarHBondContact CD-OD2 3.44Å; K522-D536 IonicContact NZ-OD2 2.61Å; K522-D536 PolarHBondContact NZ-OD2 2.81Å; D532-D536 PolarHBondContact OD2-N 2.96Å; D532-D536 VanDerWaalsContact OD2-N 3.08Å; D536-T538 VanDerWaalsContact C-N 3.27Å; D536-T538 PolarHBondContact O-N 3.13Å; D536-G539 CarbonylContact C-O 3.59Å; D536-G539 WeakPolarHBondContact CA-O 3.49Å; D536-G539 CarbonylContact O-C 3.44Å; D536-G539 PolarHBondContact O-N 3.22Å; D536-G539 VanDerWaalsContact O-N 3.07Å; D536-T540 HydrophobicContact CB-CG2 4.19Å
537	S	91.6	Very high	94.8	Very high	75 Å²	75	50 Å²	50	52%	0.524	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-12.3	-171.5	64.5	0	0	0	0	114.5	D532 T535	D532-S537 WeakPolarHBondContact CB-OG 3.33Å; D532-S537 VanDerWaalsContact CG-OG 3.27Å; D532-S537 WeakPolarHBondContact OD2-CB 3.35Å; D532-S537 PolarHBondContact OD2-N 3.05Å; D532-S537 PolarHBondContact OD2-OG 2.79Å; T535-S537 PolarHBondContact O-N 3.19Å; T535-S537 VanDerWaalsContact O-N 3.11Å
538	T	93.9	Very high	94.5	Very high	18 Å²	18	49.9 Å²	49.9	11%	0.11	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	29.3	169.3	66.4	0	0	0	0	111.1	L531 D532 D536 P561	L531-T538 HydrophobicContact CD2-CG2 4.48Å; D532-T538 HydrophobicContact CB-CG2 3.97Å; D532-T538 PolarHBondContact N-OG1 3.31Å; D536-T538 VanDerWaalsContact C-N 3.27Å; D536-T538 PolarHBondContact O-N 3.13Å; T538-P561 VanDerWaalsContact C-CD 3.44Å
539	G	93.3	Very high	94.1	Very high	9 Å²	9	48.6 Å²	48.6	9%	0.093	25%	0.248	C	C	.	.			trans	97.9	170.2	-174	0	0	0	0	0	112	D536	D536-G539 CarbonylContact C-O 3.59Å; D536-G539 WeakPolarHBondContact CA-O 3.49Å; D536-G539 CarbonylContact O-C 3.44Å; D536-G539 PolarHBondContact O-N 3.22Å; D536-G539 VanDerWaalsContact O-N 3.07Å
540	T	95.5	Very high	94	Very high	65 Å²	65	49 Å²	49	40%	0.399	25%	0.249	S	C	.	.	S	Bend	trans	-91	-32.6	-177.2	54	0	0	0	0	113	R520 L521 D536	R520-T540 WeakPolarHBondContact CD-O 3.42Å; R520-T540 PolarHBondContact NE-O 3.02Å; R520-T540 VanDerWaalsContact NE-O 3.14Å; L521-T540 PolarHBondContact N-O 3.04Å; D536-T540 HydrophobicContact CB-CG2 4.19Å
541	H	96.3	Very high	94	Very high	76 Å²	76	43.3 Å²	43.3	35%	0.352	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	160.6	-177.3	-56	83.2	0	0	0	109.7	V519 R520	V519-H541 CarbonylContact O-C 3.6Å; V519-H541 WeakPolarHBondContact O-CA 3.47Å; V519-H541 WeakPolarHBondContact O-CB 3.37Å; R520-H541 VanDerWaalsContact CD-NE2 3.27Å; R520-H541 WeakPolarHBondContact CD-NE2 3.45Å
542	S	97.1	Very high	94.1	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	-178.5	161	-159.4	0	0	0	0	109.7	V519 F554	V519-S542 WeakPolarHBondContact CG2-O 3.41Å; V519-S542 PolarHBondContact N-O 3.21Å; V519-S542 PolarHBondContact O-N 2.81Å; S542-F554 PolarHBondContact OG-O 2.97Å
543	L	97.5	Very high	94.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.8	175.3	-158	78.3	0	0	0	110.5	L512 L515 E517 R518 F554 V556	L512-L543 HydrophobicContact CB-CD2 4.47Å; L512-L543 HydrophobicContact CD2-CD2 4.1Å; L512-L543 WeakPolarHBondContact O-CD1 3.38Å; L512-L543 WeakPolarHBondContact O-CD2 3.48Å; L515-L543 HydrophobicContact CB-CD2 3.84Å; L515-L543 HydrophobicContact CD2-CD2 3.88Å; L515-L543 HydrophobicContact CG-CD2 3.86Å; E517-L543 WeakPolarHBondContact O-CA 3.29Å; R518-L543 HydrophobicContact CG-CD1 3.83Å; L543-F554 HydrophobicContact CB-CB 4.14Å; L543-F554 HydrophobicContact CB-CD2 3.88Å; L543-F554 HydrophobicContact CB-CG 4.38Å; L543-F554 HydrophobicContact CD2-CD2 3.77Å; L543-F554 HydrophobicContact CD2-CE2 4.06Å; L543-F554 HydrophobicContact CD2-CG 4.38Å; L543-F554 HydrophobicContact CG-CD2 4.04Å; L543-F554 WeakPolarHBondContact O-CD2 3.45Å; L543-F554 PolarHBondContact O-N 3.5Å; L543-V556 HydrophobicContact CB-CG2 4.07Å
544	Y	97.8	Very high	94.4	Very high	5 Å²	5	40.5 Å²	40.5	2%	0.02	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.1	175.3	167.9	-89.7	0	0	0	109.8	E517 W524 K526 R546 E551 I552 M553	E517-Y544 PolarHBondContact N-O 3.37Å; E517-Y544 PolarHBondContact O-N 3.29Å; W524-Y544 HydrophobicContact CH2-CD1 4.02Å; W524-Y544 HydrophobicContact CH2-CE1 4.3Å; W524-Y544 HydrophobicContact CH2-CG 4.27Å; W524-Y544 AromaticContact CZ2-CD1 3.75Å; W524-Y544 HydrophobicContact CZ2-CD1 3.75Å; W524-Y544 AromaticContact CZ2-CD2 3.78Å; W524-Y544 HydrophobicContact CZ2-CD2 3.78Å; W524-Y544 HydrophobicContact CZ2-CE1 4.02Å; W524-Y544 HydrophobicContact CZ2-CE2 4.01Å; W524-Y544 AromaticContact CZ2-CG 3.63Å; W524-Y544 HydrophobicContact CZ2-CG 3.63Å; K526-Y544 HydrophobicContact CB-CE2 4.33Å; K526-Y544 HydrophobicContact CD-CE1 4.01Å; K526-Y544 HydrophobicContact CD-CE2 4.41Å; K526-Y544 WeakPolarHBondContact CD-OH 3.48Å; Y544-R546 HydrophobicContact CE1-CG 3.97Å; Y544-R546 WeakPolarHBondContact OH-CD 3.4Å; Y544-R546 WeakPolarHBondContact OH-CG 3.5Å; Y544-E551 HydrophobicContact CE2-CB 4.17Å; Y544-E551 HydrophobicContact CE2-CG 4.46Å; Y544-E551 WeakPolarHBondContact CE2-OE1 3.25Å; Y544-E551 PolarHBondContact OH-OE1 2.91Å; Y544-I552 WeakPolarHBondContact CA-O 3.1Å; Y544-M553 HydrophobicContact CD2-CE 4.11Å; Y544-M553 HydrophobicContact CG-CE 4.45Å
545	T	96.8	Very high	94.6	Very high	8 Å²	8	32.8 Å²	32.8	5%	0.049	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	158.8	177.3	-153.2	0	0	0	0	110.1	L515 I552 F554 R651 L655	L515-T545 PolarHBondContact O-OG1 2.88Å; T545-I552 HydrophobicContact CG2-CB 3.87Å; T545-I552 HydrophobicContact CG2-CD1 4.27Å; T545-I552 HydrophobicContact CG2-CG1 4.5Å; T545-I552 HydrophobicContact CG2-CG2 4.42Å; T545-I552 PolarHBondContact N-O 3.04Å; T545-I552 PolarHBondContact O-N 2.85Å; T545-F554 HydrophobicContact CG2-CE2 3.7Å; T545-F554 HydrophobicContact CG2-CZ 4.07Å; T545-R651 PolarHBondContact OG1-NH2 2.99Å; T545-L655 HydrophobicContact CG2-CD1 3.97Å; T545-L655 HydrophobicContact CG2-CD2 3.84Å
546	R	94.6	Very high	94.8	Very high	140 Å²	140	27.8 Å²	27.8	53%	0.528	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139	169.1	-69.7	-170.9	64.9	157.8	-0.9	109.8	Y544 Y550 R651	Y544-R546 HydrophobicContact CE1-CG 3.97Å; Y544-R546 WeakPolarHBondContact OH-CD 3.4Å; Y544-R546 WeakPolarHBondContact OH-CG 3.5Å; R546-Y550 WeakPolarHBondContact CA-O 3.42Å; R546-R651 PolarHBondContact O-NH2 3.48Å
547	Y	91.4	Very high	95	Very high	6 Å²	6	26.4 Å²	26.4	2%	0.024	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	113.3	179.5	-175.8	-102.6	0	0	0	109	S350 I354 D549 Y550 D652 L655 A656	S350-Y547 WeakPolarHBondContact CB-OH 3.26Å; I354-Y547 HydrophobicContact CD1-CE1 4.14Å; Y547-D549 PolarHBondContact O-N 2.9Å; Y547-Y550 PolarHBondContact N-O 3.42Å; Y547-Y550 VanDerWaalsContact N-O 3.09Å; Y547-Y550 WeakPolarHBondContact O-CB 3.3Å; Y547-Y550 PolarHBondContact O-N 3.05Å; Y547-D652 HydrophobicContact CE2-CB 3.89Å; Y547-L655 HydrophobicContact CD1-CB 4.17Å; Y547-L655 HydrophobicContact CD2-CB 3.9Å; Y547-L655 HydrophobicContact CD2-CD1 4.07Å; Y547-L655 HydrophobicContact CE2-CB 4.41Å; Y547-L655 HydrophobicContact CG-CB 3.79Å; Y547-L655 HydrophobicContact CG-CD1 4.29Å; Y547-A656 HydrophobicContact CE1-CB 4.07Å
548	Q	88.3	Confident	95.2	Very high	40 Å²	40	23.7 Å²	23.7	19%	0.187	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-133	-165.4	-47.4	-177.6	3.9	0	0	110.6	Q347 S350 Y352 Y550	Q347-Q548 VanDerWaalsContact O-CG 3.23Å; Q347-Q548 WeakPolarHBondContact O-CG 3.22Å; S350-Q548 WeakPolarHBondContact OG-CG 3.41Å; S350-Q548 PolarHBondContact OG-NE2 3.19Å; Y352-Q548 PolarHBondContact O-NE2 3.4Å; Y352-Q548 VanDerWaalsContact O-NE2 3.13Å; Q548-Y550 VanDerWaalsContact C-N 3.27Å; Q548-Y550 PolarHBondContact O-N 2.98Å
549	D	87.3	Confident	95.2	Very high	71 Å²	71	24.7 Å²	24.7	38%	0.38	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-12.1	173	-75.9	-42	0	0	0	114.2	F479 Y547	F479-D549 HydrophobicContact CD1-CB 4Å; F479-D549 HydrophobicContact CE1-CB 4.3Å; Y547-D549 PolarHBondContact O-N 2.9Å
550	Y	92.2	Very high	95.3	Very high	10 Å²	10	24.5 Å²	24.5	4%	0.039	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	135.3	-174.3	-66.5	-93	0	0	0	113.1	I354 F479 R481 R546 Y547 Q548 V659	I354-Y550 HydrophobicContact CD1-CE2 4.37Å; I354-Y550 HydrophobicContact CG1-CE2 4.22Å; I354-Y550 HydrophobicContact CG2-CE2 4.26Å; F479-Y550 HydrophobicContact CB-CD1 4.3Å; F479-Y550 HydrophobicContact CD1-CD1 4.26Å; F479-Y550 AromaticContact CD1-CE1 3.98Å; F479-Y550 HydrophobicContact CD1-CE1 3.98Å; F479-Y550 HydrophobicContact CD1-CE2 4.22Å; F479-Y550 AromaticContact CD1-CZ 3.95Å; F479-Y550 CarbonylContact O-C 3.53Å; F479-Y550 VanDerWaalsContact O-CA 3.29Å; F479-Y550 WeakPolarHBondContact O-CA 3.44Å; R481-Y550 HydrophobicContact CG-CD1 3.81Å; R481-Y550 HydrophobicContact CG-CE1 4.29Å; R546-Y550 WeakPolarHBondContact CA-O 3.42Å; Y547-Y550 PolarHBondContact N-O 3.42Å; Y547-Y550 VanDerWaalsContact N-O 3.09Å; Y547-Y550 WeakPolarHBondContact O-CB 3.3Å; Y547-Y550 PolarHBondContact O-N 3.05Å; Q548-Y550 VanDerWaalsContact C-N 3.27Å; Q548-Y550 PolarHBondContact O-N 2.98Å; Y550-V659 HydrophobicContact CD1-CG1 4.14Å; Y550-V659 HydrophobicContact CD1-CG2 4.44Å; Y550-V659 HydrophobicContact CD2-CG1 4.06Å; Y550-V659 HydrophobicContact CD2-CG2 4.44Å; Y550-V659 HydrophobicContact CE1-CG1 3.79Å; Y550-V659 HydrophobicContact CE2-CG1 3.71Å; Y550-V659 HydrophobicContact CG-CG1 4.27Å; Y550-V659 HydrophobicContact CG-CG2 4.22Å
551	E	95.9	Very high	95.2	Very high	30 Å²	30	23.3 Å²	23.3	14%	0.14	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.6	160.8	-63.2	-165.2	93.7	0	0	109.1	F479 Q480 R481 Y544	F479-E551 PolarHBondContact O-N 2.96Å; Q480-E551 WeakPolarHBondContact CA-O 3.46Å; Q480-E551 HydrophobicContact CG-CB 4.34Å; Q480-E551 PolarHBondContact NE2-OE2 3.32Å; R481-E551 PolarHBondContact N-O 3.22Å; Y544-E551 HydrophobicContact CE2-CB 4.17Å; Y544-E551 HydrophobicContact CE2-CG 4.46Å; Y544-E551 WeakPolarHBondContact CE2-OE1 3.25Å; Y544-E551 PolarHBondContact OH-OE1 2.91Å
552	I	97.5	Very high	95	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123	-178.7	-52.6	173.8	0	0	0	108.1	R481 V483 Y544 T545 F554 L655 V659	R481-I552 HydrophobicContact CB-CG1 4.34Å; R481-I552 WeakPolarHBondContact O-CA 3.27Å; V483-I552 HydrophobicContact CG2-CG2 3.8Å; Y544-I552 WeakPolarHBondContact CA-O 3.1Å; T545-I552 HydrophobicContact CG2-CB 3.87Å; T545-I552 HydrophobicContact CG2-CD1 4.27Å; T545-I552 HydrophobicContact CG2-CG1 4.5Å; T545-I552 HydrophobicContact CG2-CG2 4.42Å; T545-I552 PolarHBondContact N-O 3.04Å; T545-I552 PolarHBondContact O-N 2.85Å; I552-F554 HydrophobicContact CG2-CD2 4.5Å; I552-F554 HydrophobicContact CG2-CE1 4.02Å; I552-F554 HydrophobicContact CG2-CE2 3.97Å; I552-F554 HydrophobicContact CG2-CZ 3.69Å; I552-L655 HydrophobicContact CD1-CD2 4.06Å; I552-V659 HydrophobicContact CD1-CG2 3.98Å
553	M	98	Very high	94.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.2	173.8	172.1	64	74.2	0	0	108.4	R481 K482 V483 V519 L521 Y527 A529 L531 Y544	R481-M553 PolarHBondContact O-N 2.82Å; R481-M553 VanDerWaalsContact O-N 3.13Å; K482-M553 WeakPolarHBondContact CA-O 3.42Å; V483-M553 PolarHBondContact N-O 2.87Å; V519-M553 HydrophobicContact CG2-CE 4.04Å; L521-M553 HydrophobicContact CD2-CE 4.42Å; Y527-M553 HydrophobicContact CD1-CB 3.68Å; Y527-M553 HydrophobicContact CE1-CB 3.94Å; Y527-M553 VanDerWaalsContact O-CE 3.32Å; Y527-M553 WeakPolarHBondContact O-CE 3.45Å; A529-M553 HydrophobicContact CB-CB 3.85Å; A529-M553 HydrophobicContact CB-CG 3.6Å; L531-M553 HydrophobicContact CD1-CG 4.12Å; L531-M553 HydrophobicContact CD1-SD 3.98Å; Y544-M553 HydrophobicContact CD2-CE 4.11Å; Y544-M553 HydrophobicContact CG-CE 4.45Å
554	F	98.4	Very high	94.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	151.3	-177.4	-61.7	-85.6	0	0	0	111.7	V483 V485 L515 S542 L543 T545 I552 V556 I583 L655	V483-F554 HydrophobicContact CB-CD1 3.66Å; V483-F554 HydrophobicContact CB-CE1 3.87Å; V483-F554 HydrophobicContact CG1-CD1 3.9Å; V483-F554 HydrophobicContact CG1-CE1 3.89Å; V483-F554 HydrophobicContact CG2-CE1 4.37Å; V483-F554 CarbonylContact O-C 3.59Å; V483-F554 VanDerWaalsContact O-CA 3.28Å; V483-F554 WeakPolarHBondContact O-CA 3.42Å; V485-F554 HydrophobicContact CG2-CB 4.03Å; V485-F554 HydrophobicContact CG2-CD1 3.64Å; V485-F554 HydrophobicContact CG2-CG 4.17Å; L515-F554 HydrophobicContact CD1-CE1 4.24Å; L515-F554 HydrophobicContact CD1-CZ 3.79Å; L515-F554 HydrophobicContact CD2-CD1 4.14Å; L515-F554 HydrophobicContact CD2-CE1 3.75Å; L515-F554 HydrophobicContact CD2-CE2 4.22Å; L515-F554 HydrophobicContact CD2-CZ 3.79Å; L515-F554 HydrophobicContact CG-CE1 4.1Å; L515-F554 HydrophobicContact CG-CE2 3.94Å; L515-F554 HydrophobicContact CG-CZ 3.61Å; S542-F554 PolarHBondContact OG-O 2.97Å; L543-F554 HydrophobicContact CB-CB 4.14Å; L543-F554 HydrophobicContact CB-CD2 3.88Å; L543-F554 HydrophobicContact CB-CG 4.38Å; L543-F554 HydrophobicContact CD2-CD2 3.77Å; L543-F554 HydrophobicContact CD2-CE2 4.06Å; L543-F554 HydrophobicContact CD2-CG 4.38Å; L543-F554 HydrophobicContact CG-CD2 4.04Å; L543-F554 WeakPolarHBondContact O-CD2 3.45Å; L543-F554 PolarHBondContact O-N 3.5Å; T545-F554 HydrophobicContact CG2-CE2 3.7Å; T545-F554 HydrophobicContact CG2-CZ 4.07Å; I552-F554 HydrophobicContact CG2-CD2 4.5Å; I552-F554 HydrophobicContact CG2-CE1 4.02Å; I552-F554 HydrophobicContact CG2-CE2 3.97Å; I552-F554 HydrophobicContact CG2-CZ 3.69Å; F554-V556 HydrophobicContact CB-CG2 4Å; F554-I583 HydrophobicContact CE1-CD1 4.13Å; F554-L655 HydrophobicContact CZ-CD2 3.9Å
555	H	98	Very high	93.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	87	167.2	-65.4	144.3	0	0	0	108.4	V483 V485 A529 S557 L560 H575 I576 D579	V483-H555 PolarHBondContact O-N 3.01Å; V485-H555 PolarHBondContact N-O 3.11Å; A529-H555 WeakPolarHBondContact CB-NE2 3.47Å; A529-H555 PolarHBondContact O-CE1 3.26Å; A529-H555 PolarHBondContact O-NE2 3.22Å; A529-H555 VanDerWaalsContact O-NE2 3.11Å; H555-S557 PolarHBondContact O-N 3.14Å; H555-L560 HydrophobicContact CB-CD1 4.36Å; H555-H575 HydrophobicContact CB-CB 4.23Å; H555-H575 AromaticContact NE2-ND1 3.69Å; H555-I576 HydrophobicContact CB-CG1 3.69Å; H555-I576 VanDerWaalsContact O-CD1 3.28Å; H555-I576 WeakPolarHBondContact O-CD1 3.28Å; H555-I576 VanDerWaalsContact O-CG1 3.3Å; H555-I576 WeakPolarHBondContact O-CG1 3.33Å; H555-D579 IonicContact CE1-OD1 3.03Å; H555-D579 PolarHBondContact CE1-OD1 3.46Å; H555-D579 IonicContact CE1-OD2 3.85Å; H555-D579 IonicContact CG-OD2 2.68Å; H555-D579 VanDerWaalsContact ND1-CG 3.3Å; H555-D579 IonicContact ND1-OD1 2.78Å; H555-D579 PolarHBondContact ND1-OD1 2.82Å; H555-D579 VanDerWaalsContact ND1-OD1 3.08Å; H555-D579 IonicContact ND1-OD2 3.62Å; H555-D579 PolarHBondContact ND1-OD2 3.29Å
556	V	97.6	Very high	93.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	117.6	-176.1	-175.4	0	0	0	0	110.2	V485 F508 L512 L543 F554 T558 M559 L560	V485-V556 HydrophobicContact CB-CG2 4.34Å; V485-V556 HydrophobicContact CG2-CG2 4.39Å; F508-V556 HydrophobicContact CE1-CG1 4.21Å; F508-V556 HydrophobicContact CZ-CG1 4.04Å; L512-V556 HydrophobicContact CD1-CG1 3.92Å; L512-V556 HydrophobicContact CD2-CG1 3.97Å; L512-V556 HydrophobicContact CD2-CG2 3.95Å; L543-V556 HydrophobicContact CB-CG2 4.07Å; F554-V556 HydrophobicContact CB-CG2 4Å; V556-T558 VanDerWaalsContact C-N 3.32Å; V556-T558 PolarHBondContact O-N 3.46Å; V556-M559 HydrophobicContact CB-CB 4.1Å; V556-M559 HydrophobicContact CB-CG 3.98Å; V556-M559 HydrophobicContact CB-SD 3.97Å; V556-M559 HydrophobicContact CG1-CB 4.45Å; V556-M559 HydrophobicContact CG1-CG 3.94Å; V556-M559 HydrophobicContact CG1-SD 4.19Å; V556-M559 HydrophobicContact CG2-SD 4.15Å; V556-M559 PolarHBondContact O-N 2.63Å; V556-L560 WeakPolarHBondContact O-CG 3.27Å; V556-L560 PolarHBondContact O-N 3.36Å; V556-L560 VanDerWaalsContact O-N 3.11Å
557	S	96	Very high	92.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-45.1	-175.5	44	0	0	0	0	114	V485 Y487 H555 R572	V485-S557 VanDerWaalsContact O-CB 3.3Å; V485-S557 WeakPolarHBondContact O-CB 3.4Å; V485-S557 PolarHBondContact O-N 3.38Å; V485-S557 PolarHBondContact O-OG 2.95Å; Y487-S557 PolarHBondContact N-OG 2.93Å; H555-S557 PolarHBondContact O-N 3.14Å; S557-R572 PolarHBondContact O-NE 3.33Å; S557-R572 VanDerWaalsContact O-NE 3.08Å; S557-R572 PolarHBondContact O-NH2 2.88Å; S557-R572 VanDerWaalsContact O-NH2 3.17Å
558	T	95.4	Very high	92.6	Very high	18 Å²	18	39.4 Å²	39.4	11%	0.11	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-27.4	179.1	54.7	0	0	0	0	114	Y487 F508 V556 R572	Y487-T558 HydrophobicContact CD1-CG2 3.75Å; Y487-T558 HydrophobicContact CE1-CG2 4.48Å; F508-T558 HydrophobicContact CE1-CG2 4.11Å; V556-T558 VanDerWaalsContact C-N 3.32Å; V556-T558 PolarHBondContact O-N 3.46Å; T558-R572 PolarHBondContact O-NH2 2.82Å
559	M	95.2	Very high	92.8	Very high	38 Å²	38	37.5 Å²	37.5	19%	0.187	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-22.4	179.7	-61.4	-178.2	175.7	0	0	113	L512 R518 V556	L512-M559 HydrophobicContact CD1-CE 3.99Å; R518-M559 HydrophobicContact CG-CE 4.49Å; V556-M559 HydrophobicContact CB-CB 4.1Å; V556-M559 HydrophobicContact CB-CG 3.98Å; V556-M559 HydrophobicContact CB-SD 3.97Å; V556-M559 HydrophobicContact CG1-CB 4.45Å; V556-M559 HydrophobicContact CG1-CG 3.94Å; V556-M559 HydrophobicContact CG1-SD 4.19Å; V556-M559 HydrophobicContact CG2-SD 4.15Å; V556-M559 PolarHBondContact O-N 2.63Å
560	L	95.4	Very high	92.9	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	21%	0.212	C	C	.	.	S	Bend	trans	-74	146	173	-67.9	172.8	0	0	0	111.1	L531 H555 V556 Y562 R572 H575 I576	L531-L560 HydrophobicContact CD2-CD2 3.78Å; H555-L560 HydrophobicContact CB-CD1 4.36Å; V556-L560 WeakPolarHBondContact O-CG 3.27Å; V556-L560 PolarHBondContact O-N 3.36Å; V556-L560 VanDerWaalsContact O-N 3.11Å; L560-Y562 PolarHBondContact O-N 3.04Å; L560-R572 HydrophobicContact CB-CB 4.47Å; L560-R572 HydrophobicContact CB-CG 3.87Å; L560-R572 HydrophobicContact CD1-CB 4.45Å; L560-R572 PolarHBondContact O-NE 3.07Å; L560-R572 PolarHBondContact O-NH2 2.78Å; L560-H575 HydrophobicContact CD1-CB 4.06Å; L560-I576 HydrophobicContact CD1-CD1 3.97Å; L560-I576 HydrophobicContact CD1-CG1 4.05Å
561	P	92.8	Very high	92.8	Very high	41 Å²	41	42 Å²	42	27%	0.266	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-58.8	132.4	-175	-25.4	35	0	0	0	113.4	T538 R572	T538-P561 VanDerWaalsContact C-CD 3.44Å; P561-R572 WeakPolarHBondContact O-CG 3.33Å; P561-R572 PolarHBondContact O-NE 2.93Å
562	Y	92.7	Very high	92.7	Very high	76 Å²	76	40.8 Å²	40.8	30%	0.298	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-81.9	145.3	170	176.6	-108.9	0	0	0	110.8	N500 E502 L560 A564	N500-Y562 HydrophobicContact CB-CE2 4.36Å; E502-Y562 HydrophobicContact CG-CD1 3.66Å; E502-Y562 HydrophobicContact CG-CD2 3.72Å; E502-Y562 HydrophobicContact CG-CE1 3.7Å; E502-Y562 HydrophobicContact CG-CE2 3.74Å; E502-Y562 HydrophobicContact CG-CG 3.68Å; E502-Y562 WeakPolarHBondContact OE1-CE1 3.29Å; E502-Y562 WeakPolarHBondContact OE2-CD1 3.28Å; L560-Y562 PolarHBondContact O-N 3.04Å; Y562-A564 HydrophobicContact CE1-CB 3.71Å
563	T	90.3	Very high	92.5	Very high	44 Å²	44	42.7 Å²	42.7	27%	0.27	23%	0.233	S	C	.	.			trans	-131.6	95.2	176.8	-57	0	0	0	0	109.7	N565 N566 Q569	T563-N565 PolarHBondContact O-N 3Å; T563-N565 VanDerWaalsContact O-N 3.11Å; T563-N566 HydrophobicContact CG2-CB 3.71Å; T563-N566 PolarHBondContact O-N 2.85Å; T563-Q569 PolarHBondContact O-NE2 3.44Å
564	A	86.8	Confident	92.3	Very high	66 Å²	66	51 Å²	51	55%	0.545	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-36.1	-177	0	0	0	0	0	114	Y562 N566	Y562-A564 HydrophobicContact CE1-CB 3.71Å; A564-N566 PolarHBondContact O-N 3.04Å
565	N	85.1	Confident	92.1	Very high	167 Å²	167	52 Å²	52	89%	0.893	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	8.7	-179.5	-63.4	-4.4	0	0	0	114	T563	T563-N565 PolarHBondContact O-N 3Å; T563-N565 VanDerWaalsContact O-N 3.11Å
566	N	88.6	Confident	92	Very high	40 Å²	40	52 Å²	52	21%	0.214	27%	0.269	C	S	.	.			trans	-141	87.7	-175.2	-177.4	-3.2	0	0	0	110.5	T563 A564 Q568 Q569 L570	T563-N566 HydrophobicContact CG2-CB 3.71Å; T563-N566 PolarHBondContact O-N 2.85Å; A564-N566 PolarHBondContact O-N 3.04Å; N566-Q568 PolarHBondContact O-N 3.47Å; N566-Q568 VanDerWaalsContact O-N 3.11Å; N566-Q568 PolarHBondContact OD1-N 2.96Å; N566-Q569 WeakPolarHBondContact O-CA 3.39Å; N566-Q569 VanDerWaalsContact O-CD 3.24Å; N566-Q569 PolarHBondContact O-N 3.46Å; N566-Q569 PolarHBondContact O-NE2 3.01Å; N566-Q569 PolarHBondContact OD1-N 2.93Å; N566-L570 PolarHBondContact ND2-N 2.87Å
567	T	86	Confident	91.8	Very high	89 Å²	89	52.2 Å²	52.2	55%	0.546	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.7	-177.9	57.1	0	0	0	0	113.7	N500 Q569	N500-T567 PolarHBondContact ND2-O 3.47Å; T567-Q569 VanDerWaalsContact C-N 3.26Å; T567-Q569 PolarHBondContact O-N 2.93Å
568	Q	86.8	Confident	91.7	Very high	93 Å²	93	55.3 Å²	55.3	44%	0.435	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.2	175.9	-64.8	-176.5	-4.5	0	0	113.7	N566 L570	N566-Q568 PolarHBondContact O-N 3.47Å; N566-Q568 VanDerWaalsContact O-N 3.11Å; N566-Q568 PolarHBondContact OD1-N 2.96Å; Q568-L570 VanDerWaalsContact C-N 3.26Å; Q568-L570 HydrophobicContact CB-CD2 3.92Å; Q568-L570 HydrophobicContact CB-CG 4.22Å; Q568-L570 PolarHBondContact O-N 2.74Å; Q568-L570 VanDerWaalsContact O-N 3.11Å
569	Q	92.3	Very high	91.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.			trans	42.3	49.9	178	-62.2	-60	-24.9	0	0	113.2	N500 T563 N566 T567 L571 R572 K573	N500-Q569 WeakPolarHBondContact OD1-CG 3.42Å; N500-Q569 PolarHBondContact OD1-NE2 2.93Å; T563-Q569 PolarHBondContact O-NE2 3.44Å; N566-Q569 WeakPolarHBondContact O-CA 3.39Å; N566-Q569 VanDerWaalsContact O-CD 3.24Å; N566-Q569 PolarHBondContact O-N 3.46Å; N566-Q569 PolarHBondContact O-NE2 3.01Å; N566-Q569 PolarHBondContact OD1-N 2.93Å; T567-Q569 VanDerWaalsContact C-N 3.26Å; T567-Q569 PolarHBondContact O-N 2.93Å; Q569-L571 PolarHBondContact O-N 3.41Å; Q569-R572 HydrophobicContact CB-CB 4.2Å; Q569-R572 HydrophobicContact CB-CG 4.28Å; Q569-R572 WeakPolarHBondContact O-CA 3.29Å; Q569-R572 WeakPolarHBondContact O-CB 3.44Å; Q569-R572 PolarHBondContact O-N 3.4Å; Q569-K573 PolarHBondContact O-N 2.91Å
570	L	89.9	Confident	91.7	Very high	92 Å²	92	53.9 Å²	53.9	48%	0.482	28%	0.28	S	S	.	.	H	α-helix	trans	-56	-24.4	-169.9	-62.2	175.7	0	0	0	113.9	N566 Q568 R574	N566-L570 PolarHBondContact ND2-N 2.87Å; Q568-L570 VanDerWaalsContact C-N 3.26Å; Q568-L570 HydrophobicContact CB-CD2 3.92Å; Q568-L570 HydrophobicContact CB-CG 4.22Å; Q568-L570 PolarHBondContact O-N 2.74Å; Q568-L570 VanDerWaalsContact O-N 3.11Å; L570-R574 WeakPolarHBondContact O-CB 3.34Å; L570-R574 PolarHBondContact O-N 3.03Å
571	L	89.8	Confident	91.8	Very high	84 Å²	84	53.6 Å²	53.6	44%	0.44	28%	0.279	S	S	.	.	H	α-helix	trans	-69.3	-43.1	172.2	-63.5	-177.8	0	0	0	112.4	Q569 H575	Q569-L571 PolarHBondContact O-N 3.41Å; L571-H575 PolarHBondContact O-CD2 3.23Å
572	R	94.9	Very high	92	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.011	27%	0.266	C	S	.	.	H	α-helix	trans	-66.9	-48.5	174.3	-60.3	-175.5	158.9	-170.7	-14.4	110.5	Y499 N501 S557 T558 L560 P561 Q569 R574 H575 I576	Y499-R572 HydrophobicContact CD1-CB 3.83Å; Y499-R572 HydrophobicContact CE1-CB 4.2Å; Y499-R572 VanDerWaalsContact O-CD 3.32Å; Y499-R572 WeakPolarHBondContact O-CD 3.45Å; Y499-R572 PolarHBondContact O-NH1 3.38Å; N501-R572 PolarHBondContact O-NH1 3.44Å; S557-R572 PolarHBondContact O-NE 3.33Å; S557-R572 VanDerWaalsContact O-NE 3.08Å; S557-R572 PolarHBondContact O-NH2 2.88Å; S557-R572 VanDerWaalsContact O-NH2 3.17Å; T558-R572 PolarHBondContact O-NH2 2.82Å; L560-R572 HydrophobicContact CB-CB 4.47Å; L560-R572 HydrophobicContact CB-CG 3.87Å; L560-R572 HydrophobicContact CD1-CB 4.45Å; L560-R572 PolarHBondContact O-NE 3.07Å; L560-R572 PolarHBondContact O-NH2 2.78Å; P561-R572 WeakPolarHBondContact O-CG 3.33Å; P561-R572 PolarHBondContact O-NE 2.93Å; Q569-R572 HydrophobicContact CB-CB 4.2Å; Q569-R572 HydrophobicContact CB-CG 4.28Å; Q569-R572 WeakPolarHBondContact O-CA 3.29Å; Q569-R572 WeakPolarHBondContact O-CB 3.44Å; Q569-R572 PolarHBondContact O-N 3.4Å; R572-R574 VanDerWaalsContact C-N 3.29Å; R572-R574 PolarHBondContact O-N 2.9Å; R572-H575 PolarHBondContact O-N 3.36Å; R572-H575 VanDerWaalsContact O-N 3.12Å; R572-I576 PolarHBondContact O-N 3.3Å; R572-I576 VanDerWaalsContact O-N 3.15Å
573	K	93.2	Very high	92.3	Very high	41 Å²	41	48 Å²	48	18%	0.178	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-25.7	179.1	-177.1	161.9	174.3	158.1	0	113.6	E495 Y499 Q569 H575 G577 R599	E495-K573 IonicContact OE1-NZ 3.76Å; E495-K573 PolarHBondContact OE1-NZ 3.4Å; E495-K573 IonicContact OE2-NZ 2.73Å; E495-K573 PolarHBondContact OE2-NZ 3.28Å; Y499-K573 HydrophobicContact CE1-CB 4.19Å; Y499-K573 HydrophobicContact CE2-CB 4.02Å; Y499-K573 HydrophobicContact CE2-CD 3.96Å; Y499-K573 HydrophobicContact CE2-CG 4.08Å; Q569-K573 PolarHBondContact O-N 2.91Å; K573-H575 VanDerWaalsContact C-N 3.26Å; K573-H575 PolarHBondContact O-N 2.68Å; K573-G577 WeakPolarHBondContact O-CA 3.26Å; K573-G577 PolarHBondContact O-N 3.2Å; K573-R599 VanDerWaalsContact CE-O 3.24Å; K573-R599 WeakPolarHBondContact CE-O 3.48Å; K573-R599 PolarHBondContact NZ-O 3.07Å
574	R	93.8	Very high	92.6	Very high	174 Å²	174	46 Å²	46	66%	0.657	24%	0.24	S	C	*	.	H	α-helix	trans	-63.4	-27.9	171.9	174.1	177.4	178.6	179.9	0.8	113.4	L570 R572 N578	L570-R574 WeakPolarHBondContact O-CB 3.34Å; L570-R574 PolarHBondContact O-N 3.03Å; R572-R574 VanDerWaalsContact C-N 3.29Å; R572-R574 PolarHBondContact O-N 2.9Å; R574-N578 PolarHBondContact O-ND2 2.91Å
575	H	94.5	Very high	93.1	Very high	21 Å²	21	42.9 Å²	42.9	10%	0.097	21%	0.214	C	C	.	.	H	α-helix	trans	-92	-67.1	175.8	-71.5	-88	0	0	0	110.1	H555 L560 L571 R572 K573 G577 N578 D579	H555-H575 HydrophobicContact CB-CB 4.23Å; H555-H575 AromaticContact NE2-ND1 3.69Å; L560-H575 HydrophobicContact CD1-CB 4.06Å; L571-H575 PolarHBondContact O-CD2 3.23Å; R572-H575 PolarHBondContact O-N 3.36Å; R572-H575 VanDerWaalsContact O-N 3.12Å; K573-H575 VanDerWaalsContact C-N 3.26Å; K573-H575 PolarHBondContact O-N 2.68Å; H575-G577 PolarHBondContact O-N 3.07Å; H575-N578 PolarHBondContact O-N 3.32Å; H575-D579 PolarHBondContact O-N 3.2Å
576	I	95.8	Very high	93.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-43.8	-174.9	-63	173.2	0	0	0	111.9	M486 Y499 H555 L560 R572 N578 D579 T582	M486-I576 HydrophobicContact CG-CG2 4.04Å; M486-I576 HydrophobicContact SD-CD1 4.39Å; M486-I576 HydrophobicContact SD-CG2 3.93Å; Y499-I576 HydrophobicContact CE1-CB 4.03Å; Y499-I576 HydrophobicContact CE1-CD1 4.08Å; Y499-I576 HydrophobicContact CE1-CG2 4.21Å; H555-I576 HydrophobicContact CB-CG1 3.69Å; H555-I576 VanDerWaalsContact O-CD1 3.28Å; H555-I576 WeakPolarHBondContact O-CD1 3.28Å; H555-I576 VanDerWaalsContact O-CG1 3.3Å; H555-I576 WeakPolarHBondContact O-CG1 3.33Å; L560-I576 HydrophobicContact CD1-CD1 3.97Å; L560-I576 HydrophobicContact CD1-CG1 4.05Å; R572-I576 PolarHBondContact O-N 3.3Å; R572-I576 VanDerWaalsContact O-N 3.15Å; I576-N578 PolarHBondContact O-N 3.3Å; I576-N578 VanDerWaalsContact O-N 3.12Å; I576-D579 WeakPolarHBondContact CA-OD2 3.43Å; I576-D579 WeakPolarHBondContact O-CB 3.23Å; I576-D579 PolarHBondContact O-N 3.09Å; I576-T582 HydrophobicContact CG2-CG2 4.24Å
577	G	92.6	Very high	93.8	Very high	5 Å²	5	34.6 Å²	34.6	5%	0.052	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-6	177.9	0	0	0	0	0	114.7	Y499 K573 H575 S600	Y499-G577 PolarHBondContact OH-N 3.24Å; K573-G577 WeakPolarHBondContact O-CA 3.26Å; K573-G577 PolarHBondContact O-N 3.2Å; H575-G577 PolarHBondContact O-N 3.07Å; G577-S600 PolarHBondContact O-OG 2.99Å
578	N	93.6	Very high	94	Very high	65 Å²	65	33.5 Å²	33.5	35%	0.348	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	5.2	172.7	-75.3	-40.4	0	0	0	112.8	K482 R574 H575 I576 F602	K482-N578 PolarHBondContact NZ-O 2.83Å; R574-N578 PolarHBondContact O-ND2 2.91Å; H575-N578 PolarHBondContact O-N 3.32Å; I576-N578 PolarHBondContact O-N 3.3Å; I576-N578 VanDerWaalsContact O-N 3.12Å; N578-F602 HydrophobicContact CB-CD2 4.48Å; N578-F602 WeakPolarHBondContact OD1-CD2 3.34Å; N578-F602 WeakPolarHBondContact OD1-CE2 3.21Å
579	D	95.8	Very high	94	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.			trans	-85.2	154.3	171.6	-60.8	-34.6	0	0	0	111.2	K482 G484 H555 H575 I576 F602 Q603	K482-D579 WeakPolarHBondContact CG-OD1 3.33Å; K482-D579 IonicContact NZ-OD1 2.87Å; K482-D579 PolarHBondContact NZ-OD1 3.12Å; G484-D579 WeakPolarHBondContact CA-OD2 3.42Å; G484-D579 PolarHBondContact N-OD2 2.7Å; G484-D579 VanDerWaalsContact N-OD2 3.16Å; H555-D579 IonicContact CE1-OD1 3.03Å; H555-D579 PolarHBondContact CE1-OD1 3.46Å; H555-D579 IonicContact CE1-OD2 3.85Å; H555-D579 IonicContact CG-OD2 2.68Å; H555-D579 VanDerWaalsContact ND1-CG 3.3Å; H555-D579 IonicContact ND1-OD1 2.78Å; H555-D579 PolarHBondContact ND1-OD1 2.82Å; H555-D579 VanDerWaalsContact ND1-OD1 3.08Å; H555-D579 IonicContact ND1-OD2 3.62Å; H555-D579 PolarHBondContact ND1-OD2 3.29Å; H575-D579 PolarHBondContact O-N 3.2Å; I576-D579 WeakPolarHBondContact CA-OD2 3.43Å; I576-D579 WeakPolarHBondContact O-CB 3.23Å; I576-D579 PolarHBondContact O-N 3.09Å; D579-F602 CarbonylContact O-C 3.45Å; D579-F602 VanDerWaalsContact O-C 3.23Å; D579-Q603 VanDerWaalsContact O-CA 3.31Å; D579-Q603 WeakPolarHBondContact O-CA 2.99Å; D579-Q603 VanDerWaalsContact O-CG 3.25Å; D579-Q603 WeakPolarHBondContact O-CG 3.04Å; D579-Q603 PolarHBondContact O-N 2.96Å
580	I	94.8	Very high	93.9	Very high	25 Å²	25	32.2 Å²	32.2	13%	0.128	17%	0.173	C	C	.	.	S	Bend	trans	-85.7	-43.9	-177.8	-60.2	175.9	0	0	0	110.6	F602 H604 V605 E662 A665 F671	I580-F602 WeakPolarHBondContact CA-O 3.32Å; I580-H604 PolarHBondContact O-N 2.64Å; I580-H604 VanDerWaalsContact O-N 3.09Å; I580-V605 PolarHBondContact O-N 3.27Å; I580-V605 VanDerWaalsContact O-N 3.13Å; I580-E662 HydrophobicContact CB-CG 4.25Å; I580-E662 HydrophobicContact CD1-CG 4.08Å; I580-E662 HydrophobicContact CG2-CG 4.37Å; I580-A665 HydrophobicContact CG2-CB 3.42Å; I580-A665 VanDerWaalsContact CG2-CB 3.42Å; I580-F671 HydrophobicContact CD1-CD1 4.17Å; I580-F671 HydrophobicContact CD1-CE1 3.56Å; I580-F671 HydrophobicContact CD1-CZ 3.99Å; I580-F671 HydrophobicContact CG1-CE1 3.86Å; I580-F671 HydrophobicContact CG1-CZ 3.9Å; I580-F671 HydrophobicContact CG2-CE2 4.46Å; I580-F671 HydrophobicContact CG2-CZ 4.09Å
581	V	97.5	Very high	94	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.9	177.1	-171.6	0	0	0	0	108.8	G484 V605 I607 V658 A661 E662	G484-V581 PolarHBondContact N-O 3.46Å; G484-V581 VanDerWaalsContact N-O 3.15Å; V581-V605 CarbonylContact C-O 3.56Å; V581-V605 WeakPolarHBondContact CA-O 3.45Å; V581-V605 HydrophobicContact CG1-CG1 4.49Å; V581-V605 HydrophobicContact CG2-CB 4.4Å; V581-I607 HydrophobicContact CG1-CD1 3.98Å; V581-I607 HydrophobicContact CG1-CG1 4.44Å; V581-V658 HydrophobicContact CG1-CG1 4.43Å; V581-V658 HydrophobicContact CG1-CG2 4.47Å; V581-A661 HydrophobicContact CG1-CB 4.18Å; V581-A661 HydrophobicContact CG2-CB 3.7Å; V581-E662 HydrophobicContact CG2-CB 3.98Å; V581-E662 HydrophobicContact CG2-CG 4.46Å
582	T	97.9	Very high	94	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	123.9	175.1	-63.9	0	0	0	0	110.4	G484 M486 I576 V584 Q603 V605 F606 I607	G484-T582 CarbonylContact O-C 3.23Å; G484-T582 WeakPolarHBondContact O-CA 3.37Å; M486-T582 HydrophobicContact CB-CG2 4.29Å; M486-T582 HydrophobicContact CG-CG2 3.58Å; I576-T582 HydrophobicContact CG2-CG2 4.24Å; T582-V584 HydrophobicContact CG2-CG2 4.37Å; T582-Q603 PolarHBondContact OG1-NE2 2.87Å; T582-V605 PolarHBondContact N-O 2.95Å; T582-F606 HydrophobicContact CG2-CD1 4.19Å; T582-F606 HydrophobicContact CG2-CE1 4.46Å; T582-F606 CarbonylContact O-C 3.58Å; T582-F606 VanDerWaalsContact O-CA 3.24Å; T582-F606 WeakPolarHBondContact O-CA 3.42Å; T582-I607 PolarHBondContact O-N 3.09Å
583	I	98.2	Very high	94	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.1	168.4	-57.5	173.3	0	0	0	107.8	V483 G484 V485 M486 F511 L515 F554 I607 V609 L654 V658	V483-I583 HydrophobicContact CG1-CD1 4.16Å; V483-I583 HydrophobicContact CG1-CG1 4.13Å; G484-I583 PolarHBondContact O-N 3.09Å; V485-I583 WeakPolarHBondContact CA-O 3.3Å; V485-I583 HydrophobicContact CG1-CB 4.49Å; V485-I583 HydrophobicContact CG2-CB 4.46Å; M486-I583 PolarHBondContact N-O 3.2Å; F511-I583 HydrophobicContact CE1-CG2 4.23Å; F511-I583 HydrophobicContact CZ-CG2 4.02Å; L515-I583 HydrophobicContact CD2-CD1 4.12Å; F554-I583 HydrophobicContact CE1-CD1 4.13Å; I583-I607 CarbonylContact C-O 3.56Å; I583-I607 VanDerWaalsContact CA-O 3.31Å; I583-I607 WeakPolarHBondContact CA-O 3.5Å; I583-V609 HydrophobicContact CG2-CG2 4.17Å; I583-L654 HydrophobicContact CD1-CD2 4.44Å; I583-V658 HydrophobicContact CD1-CG2 4.12Å; I583-V658 HydrophobicContact CG1-CG2 4.27Å
584	V	97.2	Very high	93.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	105.1	174.3	-175.9	0	0	0	0	107.6	M486 C488 M498 T582 F593 F606 I607 I608 V609	M486-V584 HydrophobicContact CB-CG2 4.29Å; C488-V584 HydrophobicContact CB-CG1 4.29Å; M498-V584 HydrophobicContact SD-CG1 4.29Å; T582-V584 HydrophobicContact CG2-CG2 4.37Å; V584-F593 HydrophobicContact CG1-CD2 4.06Å; V584-F593 HydrophobicContact CG1-CE2 4.45Å; V584-F593 HydrophobicContact CG2-CD2 4.32Å; V584-F593 HydrophobicContact CG2-CE2 4.02Å; V584-F593 HydrophobicContact CG2-CZ 4.16Å; V584-F606 HydrophobicContact CG2-CB 4.45Å; V584-F606 HydrophobicContact CG2-CD1 4.16Å; V584-I607 PolarHBondContact N-O 2.93Å; V584-I608 HydrophobicContact CB-CG1 4.45Å; V584-I608 WeakPolarHBondContact O-CA 3.3Å; V584-V609 PolarHBondContact O-N 3.2Å
585	F	97.2	Very high	93.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.5	175.4	-174.1	-90.7	0	0	0	110	M486 Y487 C488 A507 F508 F511 E587 V609 V611 Y621	M486-F585 PolarHBondContact O-N 2.94Å; Y487-F585 HydrophobicContact CD2-CD1 4.07Å; Y487-F585 HydrophobicContact CE2-CD1 4.33Å; C488-F585 WeakPolarHBondContact CA-O 3.36Å; C488-F585 WeakPolarHBondContact CB-O 3.5Å; C488-F585 PolarHBondContact N-O 3.4Å; A507-F585 HydrophobicContact CB-CZ 4.3Å; A507-F585 WeakPolarHBondContact O-CZ 3.38Å; F508-F585 HydrophobicContact CB-CD1 3.92Å; F508-F585 HydrophobicContact CB-CE1 3.79Å; F508-F585 HydrophobicContact CB-CZ 4.43Å; F508-F585 HydrophobicContact CD2-CB 3.68Å; F508-F585 AromaticContact CD2-CD1 3.57Å; F508-F585 HydrophobicContact CD2-CD1 3.57Å; F508-F585 HydrophobicContact CD2-CD2 4.11Å; F508-F585 HydrophobicContact CD2-CE1 4.18Å; F508-F585 AromaticContact CD2-CG 3.51Å; F508-F585 HydrophobicContact CD2-CG 3.51Å; F508-F585 HydrophobicContact CE2-CB 3.76Å; F508-F585 HydrophobicContact CE2-CD1 4.48Å; F508-F585 HydrophobicContact CE2-CG 4.11Å; F508-F585 HydrophobicContact CG-CD1 4.08Å; F508-F585 HydrophobicContact CG-CE1 4.43Å; F508-F585 HydrophobicContact CG-CG 4.45Å; F511-F585 HydrophobicContact CB-CD2 3.93Å; F511-F585 HydrophobicContact CB-CE2 3.45Å; F511-F585 VanDerWaalsContact CB-CE2 3.45Å; F511-F585 HydrophobicContact CB-CZ 4.13Å; F511-F585 AromaticContact CD1-CD2 3.5Å; F511-F585 HydrophobicContact CD1-CD2 3.5Å; F511-F585 VanDerWaalsContact CD1-CD2 3.5Å; F511-F585 AromaticContact CD1-CE2 3.96Å; F511-F585 HydrophobicContact CD1-CE2 3.96Å; F511-F585 HydrophobicContact CD1-CG 4.26Å; F511-F585 HydrophobicContact CD2-CD2 4.01Å; F511-F585 AromaticContact CD2-CE2 3.96Å; F511-F585 HydrophobicContact CD2-CE2 3.96Å; F511-F585 AromaticContact CE1-CD2 3.97Å; F511-F585 HydrophobicContact CE1-CD2 3.97Å; F511-F585 HydrophobicContact CE2-CD2 4.44Å; F511-F585 AromaticContact CG-CD2 3.52Å; F511-F585 HydrophobicContact CG-CD2 3.52Å; F511-F585 AromaticContact CG-CE2 3.5Å; F511-F585 HydrophobicContact CG-CE2 3.5Å; F511-F585 HydrophobicContact CZ-CD2 4.41Å; F585-E587 HydrophobicContact CE1-CG 4.16Å; F585-V609 CarbonylContact C-O 3.55Å; F585-V609 WeakPolarHBondContact CA-O 3.41Å; F585-V611 HydrophobicContact CE1-CG1 4.1Å; F585-V611 HydrophobicContact CE2-CB 4.24Å; F585-V611 HydrophobicContact CE2-CG1 4.48Å; F585-V611 HydrophobicContact CZ-CB 3.83Å; F585-V611 HydrophobicContact CZ-CG1 3.63Å; F585-Y621 HydrophobicContact CE2-CE1 4.12Å
586	Q	95.7	Very high	93.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.1	177.3	-82	173.3	-31.4	0	0	110.7	L294 C488 A590 L591 I608 V609 Q610 V611	L294-Q586 PolarHBondContact O-NE2 3.44Å; L294-Q586 VanDerWaalsContact O-NE2 3.1Å; C488-Q586 HydrophobicContact CB-CG 4.22Å; C488-Q586 WeakPolarHBondContact O-CA 3.27Å; Q586-A590 HydrophobicContact CB-CB 3.92Å; Q586-A590 HydrophobicContact CG-CB 3.88Å; Q586-L591 PolarHBondContact NE2-O 3.06Å; Q586-L591 VanDerWaalsContact NE2-O 3.1Å; Q586-I608 HydrophobicContact CG-CG2 4.27Å; Q586-V609 PolarHBondContact N-O 3.06Å; Q586-Q610 HydrophobicContact CB-CB 3.93Å; Q586-Q610 HydrophobicContact CB-CG 3.99Å; Q586-Q610 WeakPolarHBondContact O-CA 3.3Å; Q586-V611 PolarHBondContact O-N 3.38Å
587	E	92.8	Very high	93	Very high	33 Å²	33	25.3 Å²	25.3	15%	0.154	15%	0.154	C	C	.	.			trans	-77.8	162	165.4	-72.3	179.3	156.6	0	0	111.8	Y487 C488 R489 F585 G589 A590	Y487-E587 HydrophobicContact CE2-CG 3.92Å; Y487-E587 WeakPolarHBondContact CE2-OE1 3.5Å; Y487-E587 PolarHBondContact OH-OE1 3.09Å; Y487-E587 PolarHBondContact OH-OE2 3.05Å; C488-E587 PolarHBondContact O-N 3.28Å; R489-E587 WeakPolarHBondContact CA-OE2 3.37Å; F585-E587 HydrophobicContact CE1-CG 4.16Å; E587-G589 PolarHBondContact O-N 3.23Å; E587-A590 WeakPolarHBondContact O-CB 3.32Å; E587-A590 PolarHBondContact O-N 2.89Å
588	P	89.5	Confident	92.7	Very high	65 Å²	65	25.1 Å²	25.1	42%	0.422	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	131.4	169.3	-25.4	35	0	0	0	111.2	A590 P614	P588-A590 VanDerWaalsContact C-N 3.31Å; P588-A590 PolarHBondContact O-N 2.92Å; P588-P614 HydrophobicContact CG-CG 4.03Å
589	G	87.3	Confident	92.4	Very high	56 Å²	56	29.1 Å²	29.1	58%	0.577	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	7.1	-175.7	0	0	0	0	0	115.5	A490 G491 E587	A490-G589 WeakPolarHBondContact CA-O 3.34Å; G491-G589 PolarHBondContact N-O 2.93Å; E587-G589 PolarHBondContact O-N 3.23Å
590	A	90.8	Very high	91.9	Very high	10 Å²	10	29.3 Å²	29.3	8%	0.083	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-62.6	149	163.4	0	0	0	0	0	110.1	R489 Q586 E587 P588	R489-A590 WeakPolarHBondContact O-CA 3.16Å; R489-A590 WeakPolarHBondContact O-CB 3.36Å; Q586-A590 HydrophobicContact CB-CB 3.92Å; Q586-A590 HydrophobicContact CG-CB 3.88Å; E587-A590 WeakPolarHBondContact O-CB 3.32Å; E587-A590 PolarHBondContact O-N 2.89Å; P588-A590 VanDerWaalsContact C-N 3.31Å; P588-A590 PolarHBondContact O-N 2.92Å
591	L	91.1	Very high	91.4	Very high	81 Å²	81	32.4 Å²	32.4	42%	0.424	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-81.6	156.2	179.8	-67.5	173.5	0	0	0	111.2	G491 Q492 Q586 F593	G491-L591 WeakPolarHBondContact O-CD1 3.37Å; Q492-L591 WeakPolarHBondContact O-CB 3.31Å; Q492-L591 PolarHBondContact O-N 3.39Å; Q492-L591 VanDerWaalsContact O-N 3.17Å; Q586-L591 PolarHBondContact NE2-O 3.06Å; Q586-L591 VanDerWaalsContact NE2-O 3.1Å; L591-F593 PolarHBondContact O-N 2.93Å
592	P	91	Very high	90.8	Very high	43 Å²	43	36.1 Å²	36.1	28%	0.279	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-53.8	128.5	177.4	-26.7	33.6	0	0	0	112.5	E293 L296	E293-P592 WeakPolarHBondContact O-CG 3.36Å; L296-P592 HydrophobicContact CD1-CB 4.18Å; L296-P592 HydrophobicContact CD2-CB 3.67Å; L296-P592 HydrophobicContact CD2-CG 4.31Å; L296-P592 HydrophobicContact CG-CB 3.67Å
593	F	93.6	Very high	90.6	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-74.2	152.2	179.9	177.7	-98.2	0	0	0	111.3	L294 L295 L296 M498 V584 L591 P595 I598 F606 I608 T626	L294-F593 PolarHBondContact O-N 3.18Å; L295-F593 WeakPolarHBondContact CA-O 3.46Å; L295-F593 HydrophobicContact CD1-CD1 4.17Å; L296-F593 PolarHBondContact N-O 3.45Å; M498-F593 HydrophobicContact CE-CD2 4.35Å; M498-F593 HydrophobicContact CE-CE2 4.19Å; V584-F593 HydrophobicContact CG1-CD2 4.06Å; V584-F593 HydrophobicContact CG1-CE2 4.45Å; V584-F593 HydrophobicContact CG2-CD2 4.32Å; V584-F593 HydrophobicContact CG2-CE2 4.02Å; V584-F593 HydrophobicContact CG2-CZ 4.16Å; L591-F593 PolarHBondContact O-N 2.93Å; F593-P595 HydrophobicContact CE1-CG 4.26Å; F593-I598 HydrophobicContact CE2-CD1 4.14Å; F593-I598 HydrophobicContact CE2-CG1 3.98Å; F593-I598 HydrophobicContact CZ-CD1 4.48Å; F593-I598 HydrophobicContact CZ-CG1 3.84Å; F593-F606 HydrophobicContact CE1-CB 3.78Å; F593-F606 HydrophobicContact CE1-CD1 4Å; F593-F606 HydrophobicContact CE1-CD2 4.07Å; F593-F606 AromaticContact CE1-CG 3.68Å; F593-F606 HydrophobicContact CE1-CG 3.68Å; F593-F606 HydrophobicContact CZ-CB 4.24Å; F593-F606 AromaticContact CZ-CD1 3.58Å; F593-F606 HydrophobicContact CZ-CD1 3.58Å; F593-F606 HydrophobicContact CZ-CD2 4.26Å; F593-F606 AromaticContact CZ-CE1 3.93Å; F593-F606 HydrophobicContact CZ-CE1 3.93Å; F593-F606 AromaticContact CZ-CG 3.77Å; F593-F606 HydrophobicContact CZ-CG 3.77Å; F593-F606 HydrophobicContact CZ-CZ 4.4Å; F593-I608 HydrophobicContact CB-CG1 4.09Å; F593-I608 HydrophobicContact CD1-CD1 3.89Å; F593-I608 HydrophobicContact CD1-CG1 3.88Å; F593-I608 HydrophobicContact CE1-CD1 4.4Å; F593-I608 HydrophobicContact CG-CG1 4.17Å; F593-T626 HydrophobicContact CE1-CG2 4.24Å
594	T	91.4	Very high	90.4	Very high	22 Å²	22	36.1 Å²	36.1	14%	0.135	19%	0.194	C	C	.	.			trans	-149.9	135.3	169.3	-174.4	0	0	0	0	111.6	K596 S597	T594-K596 HydrophobicContact CG2-CB 3.95Å; T594-K596 PolarHBondContact O-N 3.43Å; T594-S597 PolarHBondContact O-N 2.86Å; T594-S597 VanDerWaalsContact O-N 3.08Å; T594-S597 PolarHBondContact O-OG 2.76Å; T594-S597 VanDerWaalsContact O-OG 3.11Å
595	P	90.6	Very high	90.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-56.5	-21.8	174.4	-27	35.4	0	0	0	114.2	C298 F301 F593 S597 I598 F606 T626	C298-P595 HydrophobicContact CB-CG 4.4Å; F301-P595 HydrophobicContact CB-CG 4.36Å; F301-P595 HydrophobicContact CD1-CB 3.98Å; F301-P595 HydrophobicContact CD1-CG 3.63Å; F301-P595 HydrophobicContact CD2-CB 3.91Å; F301-P595 HydrophobicContact CD2-CG 4.28Å; F301-P595 HydrophobicContact CE1-CB 3.93Å; F301-P595 HydrophobicContact CE1-CG 3.93Å; F301-P595 HydrophobicContact CE2-CB 3.86Å; F301-P595 HydrophobicContact CG-CB 3.98Å; F301-P595 HydrophobicContact CG-CG 3.83Å; F301-P595 HydrophobicContact CZ-CB 3.87Å; F301-P595 HydrophobicContact CZ-CG 4.38Å; F593-P595 HydrophobicContact CE1-CG 4.26Å; P595-S597 PolarHBondContact O-N 3.09Å; P595-I598 PolarHBondContact O-N 2.79Å; P595-I598 VanDerWaalsContact O-N 3.15Å; P595-F606 HydrophobicContact CB-CD2 4.41Å; P595-F606 HydrophobicContact CB-CE2 4.07Å; P595-F606 HydrophobicContact CG-CD2 4.14Å; P595-F606 HydrophobicContact CG-CE2 4.3Å; P595-T626 HydrophobicContact CG-CG2 3.56Å
596	K	88.1	Confident	90.4	Very high	90 Å²	90	36.1 Å²	36.1	39%	0.391	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-55.5	-30.5	174.2	-63.2	166.5	177.4	152.8	0	113.2	A251 S297 T594	A251-K596 HydrophobicContact CB-CG 4.45Å; S297-K596 PolarHBondContact O-NZ 2.98Å; T594-K596 HydrophobicContact CG2-CB 3.95Å; T594-K596 PolarHBondContact O-N 3.43Å
597	S	85.9	Confident	90.5	Very high	31 Å²	31	36.1 Å²	36.1	22%	0.217	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-78.2	-23.2	-178.6	71.7	0	0	0	0	113	S493 E495 T594 P595	S493-S597 PolarHBondContact O-OG 3.48Å; E495-S597 VanDerWaalsContact CB-O 3.28Å; E495-S597 WeakPolarHBondContact CB-O 3.33Å; T594-S597 PolarHBondContact O-N 2.86Å; T594-S597 VanDerWaalsContact O-N 3.08Å; T594-S597 PolarHBondContact O-OG 2.76Å; T594-S597 VanDerWaalsContact O-OG 3.11Å; P595-S597 PolarHBondContact O-N 3.09Å
598	I	87.9	Confident	90.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.186	C	C	.	.			trans	-92	132.2	-174.3	-54	-55.8	0	0	0	110.9	A248 M486 E495 M498 F593 P595 Q603 F606	A248-I598 CarbonylContact C-O 3.57Å; A248-I598 HydrophobicContact CB-CB 3.93Å; A248-I598 HydrophobicContact CB-CG2 3.96Å; A248-I598 WeakPolarHBondContact CB-O 3.31Å; M486-I598 HydrophobicContact CE-CD1 4.34Å; E495-I598 HydrophobicContact CB-CD1 3.89Å; E495-I598 HydrophobicContact CG-CD1 4.09Å; M498-I598 HydrophobicContact CE-CD1 4.07Å; F593-I598 HydrophobicContact CE2-CD1 4.14Å; F593-I598 HydrophobicContact CE2-CG1 3.98Å; F593-I598 HydrophobicContact CZ-CD1 4.48Å; F593-I598 HydrophobicContact CZ-CG1 3.84Å; P595-I598 PolarHBondContact O-N 2.79Å; P595-I598 VanDerWaalsContact O-N 3.15Å; I598-Q603 VanDerWaalsContact CG2-OE1 3.23Å; I598-F606 HydrophobicContact CB-CE1 4.43Å; I598-F606 HydrophobicContact CB-CZ 4.03Å; I598-F606 HydrophobicContact CG1-CE1 3.97Å; I598-F606 HydrophobicContact CG1-CZ 3.99Å; I598-F606 HydrophobicContact CG2-CE1 4.18Å; I598-F606 HydrophobicContact CG2-CZ 3.89Å
599	R	86.1	Confident	91	Very high	149 Å²	149	31.4 Å²	31.4	56%	0.562	17%	0.166	S	C	*	.			trans	-110.1	80.1	177.9	-66.1	179.4	-178.3	147.4	2.6	110.7	E495 K573	E495-R599 PolarHBondContact OE1-N 2.95Å; K573-R599 VanDerWaalsContact CE-O 3.24Å; K573-R599 WeakPolarHBondContact CE-O 3.48Å; K573-R599 PolarHBondContact NZ-O 3.07Å
600	S	86.6	Confident	91.4	Very high	5 Å²	5	29.5 Å²	29.5	4%	0.035	14%	0.142	C	C	.	.			trans	-136.5	139.2	176.7	171.8	0	0	0	0	113	A248 S249 G577 F602 Q603	A248-S600 PolarHBondContact N-O 3.38Å; S249-S600 WeakPolarHBondContact CB-O 3.39Å; S249-S600 PolarHBondContact N-O 3.34Å; S249-S600 PolarHBondContact OG-N 2.73Å; S249-S600 PolarHBondContact OG-O 2.85Å; G577-S600 PolarHBondContact O-OG 2.99Å; S600-F602 PolarHBondContact OG-N 2.8Å; S600-Q603 PolarHBondContact OG-N 3.07Å
601	H	82.9	Confident	91.5	Very high	89 Å²	89	29.1 Å²	29.1	41%	0.412	14%	0.138	S	C	.	.	S	Bend	trans	-85	-8	169.8	-67.9	-60.8	0	0	0	113.8	S249 H604 K670	S249-H601 WeakPolarHBondContact CB-ND1 3.41Å; S249-H601 PolarHBondContact OG-N 3.3Å; S249-H601 PolarHBondContact OG-ND1 2.84Å; H601-H604 PolarHBondContact O-CE1 3Å; H601-K670 WeakPolarHBondContact O-CE 3.49Å; H601-K670 PolarHBondContact O-NZ 3.46Å
602	F	85.8	Confident	91.5	Very high	79 Å²	79	27.3 Å²	27.3	35%	0.346	13%	0.128	S	C	.	.	S	Bend	trans	-110.7	-32.7	-175.7	-69.1	-80.6	0	0	0	112.9	N578 D579 I580 S600 H604	N578-F602 HydrophobicContact CB-CD2 4.48Å; N578-F602 WeakPolarHBondContact OD1-CD2 3.34Å; N578-F602 WeakPolarHBondContact OD1-CE2 3.21Å; D579-F602 CarbonylContact O-C 3.45Å; D579-F602 VanDerWaalsContact O-C 3.23Å; I580-F602 WeakPolarHBondContact CA-O 3.32Å; S600-F602 PolarHBondContact OG-N 2.8Å; F602-H604 PolarHBondContact O-N 3.05Å; F602-H604 PolarHBondContact O-ND1 2.86Å
603	Q	93.3	Very high	91.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.138	C	C	.	.			trans	-72.2	111.9	175.4	-62.6	171.1	-73.9	0	0	109.5	G247 A248 D579 T582 I598 S600 F606	G247-Q603 WeakPolarHBondContact CA-O 3.2Å; A248-Q603 PolarHBondContact N-O 2.82Å; D579-Q603 VanDerWaalsContact O-CA 3.31Å; D579-Q603 WeakPolarHBondContact O-CA 2.99Å; D579-Q603 VanDerWaalsContact O-CG 3.25Å; D579-Q603 WeakPolarHBondContact O-CG 3.04Å; D579-Q603 PolarHBondContact O-N 2.96Å; T582-Q603 PolarHBondContact OG1-NE2 2.87Å; I598-Q603 VanDerWaalsContact CG2-OE1 3.23Å; S600-Q603 PolarHBondContact OG-N 3.07Å; Q603-F606 HydrophobicContact CB-CE1 4.07Å; Q603-F606 HydrophobicContact CB-CE2 4.36Å; Q603-F606 HydrophobicContact CB-CZ 3.64Å
604	H	93.8	Very high	90.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.			trans	-121.3	-12.9	177.4	-63.7	71.6	0	0	0	112.6	G247 F301 I580 H601 F602 R627 S628 I631 K670 F671	G247-H604 VanDerWaalsContact CA-CD2 3.43Å; G247-H604 WeakPolarHBondContact CA-CD2 3.47Å; G247-H604 WeakPolarHBondContact CA-NE2 3.29Å; G247-H604 PolarHBondContact N-CD2 2.86Å; G247-H604 PolarHBondContact N-NE2 2.81Å; F301-H604 WeakPolarHBondContact CE1-O 3.48Å; I580-H604 PolarHBondContact O-N 2.64Å; I580-H604 VanDerWaalsContact O-N 3.09Å; H601-H604 PolarHBondContact O-CE1 3Å; F602-H604 PolarHBondContact O-N 3.05Å; F602-H604 PolarHBondContact O-ND1 2.86Å; H604-R627 CarbonylContact O-C 3.4Å; H604-R627 VanDerWaalsContact O-CA 3.31Å; H604-R627 WeakPolarHBondContact O-CA 3.49Å; H604-S628 WeakPolarHBondContact CB-OG 3.31Å; H604-S628 PolarHBondContact CD2-OG 3.24Å; H604-S628 PolarHBondContact O-N 3.18Å; H604-S628 PolarHBondContact O-OG 2.89Å; H604-I631 HydrophobicContact CB-CD1 3.52Å; H604-K670 WeakPolarHBondContact NE2-CD 3.45Å; H604-F671 AromaticContact CE1-CE2 3.48Å; H604-F671 VanDerWaalsContact CE1-CE2 3.48Å; H604-F671 WeakPolarHBondContact CE1-CE2 3.34Å; H604-F671 AromaticContact CE1-CZ 3.57Å; H604-F671 AromaticContact CG-CE2 3.91Å; H604-F671 AromaticContact ND1-CE2 3.51Å; H604-F671 AromaticContact ND1-CZ 3.56Å; H604-F671 AromaticContact NE2-CE2 3.87Å
605	V	96.9	Very high	90.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.4	174.4	-174	0	0	0	0	110.1	I580 V581 T582 I607 V625 T626 R627 I631 F634 A661	I580-V605 PolarHBondContact O-N 3.27Å; I580-V605 VanDerWaalsContact O-N 3.13Å; V581-V605 CarbonylContact C-O 3.56Å; V581-V605 WeakPolarHBondContact CA-O 3.45Å; V581-V605 HydrophobicContact CG1-CG1 4.49Å; V581-V605 HydrophobicContact CG2-CB 4.4Å; T582-V605 PolarHBondContact N-O 2.95Å; V605-I607 HydrophobicContact CG1-CG1 4.41Å; V605-V625 HydrophobicContact CG1-CG1 3.95Å; V605-T626 CarbonylContact C-O 3.55Å; V605-T626 WeakPolarHBondContact CA-O 3.41Å; V605-R627 HydrophobicContact CG1-CB 4.46Å; V605-R627 HydrophobicContact CG2-CB 4.02Å; V605-I631 HydrophobicContact CG2-CD1 3.74Å; V605-F634 HydrophobicContact CG1-CE1 4.34Å; V605-F634 HydrophobicContact CG1-CZ 3.8Å; V605-F634 HydrophobicContact CG2-CE1 4.43Å; V605-A661 HydrophobicContact CB-CB 4.45Å; V605-A661 HydrophobicContact CG1-CB 4.01Å; V605-A661 HydrophobicContact CG2-CB 4.43Å
606	F	97.1	Very high	89.8	Confident	1 Å²	1	38 Å²	38	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.2	169.6	-55.3	-93.5	0	0	0	109.7	A248 F301 T582 V584 F593 P595 I598 Q603 I608 V625 T626	A248-F606 HydrophobicContact CB-CE2 4.15Å; A248-F606 HydrophobicContact CB-CZ 3.99Å; F301-F606 HydrophobicContact CE1-CD2 4.09Å; F301-F606 AromaticContact CE1-CE2 3.99Å; F301-F606 HydrophobicContact CE1-CE2 3.99Å; F301-F606 HydrophobicContact CZ-CE2 4.18Å; T582-F606 HydrophobicContact CG2-CD1 4.19Å; T582-F606 HydrophobicContact CG2-CE1 4.46Å; T582-F606 CarbonylContact O-C 3.58Å; T582-F606 VanDerWaalsContact O-CA 3.24Å; T582-F606 WeakPolarHBondContact O-CA 3.42Å; V584-F606 HydrophobicContact CG2-CB 4.45Å; V584-F606 HydrophobicContact CG2-CD1 4.16Å; F593-F606 HydrophobicContact CE1-CB 3.78Å; F593-F606 HydrophobicContact CE1-CD1 4Å; F593-F606 HydrophobicContact CE1-CD2 4.07Å; F593-F606 AromaticContact CE1-CG 3.68Å; F593-F606 HydrophobicContact CE1-CG 3.68Å; F593-F606 HydrophobicContact CZ-CB 4.24Å; F593-F606 AromaticContact CZ-CD1 3.58Å; F593-F606 HydrophobicContact CZ-CD1 3.58Å; F593-F606 HydrophobicContact CZ-CD2 4.26Å; F593-F606 AromaticContact CZ-CE1 3.93Å; F593-F606 HydrophobicContact CZ-CE1 3.93Å; F593-F606 AromaticContact CZ-CG 3.77Å; F593-F606 HydrophobicContact CZ-CG 3.77Å; F593-F606 HydrophobicContact CZ-CZ 4.4Å; P595-F606 HydrophobicContact CB-CD2 4.41Å; P595-F606 HydrophobicContact CB-CE2 4.07Å; P595-F606 HydrophobicContact CG-CD2 4.14Å; P595-F606 HydrophobicContact CG-CE2 4.3Å; I598-F606 HydrophobicContact CB-CE1 4.43Å; I598-F606 HydrophobicContact CB-CZ 4.03Å; I598-F606 HydrophobicContact CG1-CE1 3.97Å; I598-F606 HydrophobicContact CG1-CZ 3.99Å; I598-F606 HydrophobicContact CG2-CE1 4.18Å; I598-F606 HydrophobicContact CG2-CZ 3.89Å; Q603-F606 HydrophobicContact CB-CE1 4.07Å; Q603-F606 HydrophobicContact CB-CE2 4.36Å; Q603-F606 HydrophobicContact CB-CZ 3.64Å; F606-I608 HydrophobicContact CB-CD1 4.09Å; F606-V625 CarbonylContact O-C 3.54Å; F606-V625 WeakPolarHBondContact O-CA 3.23Å; F606-V625 WeakPolarHBondContact O-CG1 3.27Å; F606-T626 HydrophobicContact CB-CG2 3.8Å; F606-T626 HydrophobicContact CD2-CG2 4.06Å; F606-T626 HydrophobicContact CG-CG2 4.38Å; F606-T626 PolarHBondContact N-O 2.79Å; F606-T626 PolarHBondContact O-N 3.28Å
607	I	97.5	Very high	89.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	107.1	174.7	-61.2	172.7	0	0	0	107	V581 T582 I583 V584 V605 V609 V623 V625 L654 K657 V658	V581-I607 HydrophobicContact CG1-CD1 3.98Å; V581-I607 HydrophobicContact CG1-CG1 4.44Å; T582-I607 PolarHBondContact O-N 3.09Å; I583-I607 CarbonylContact C-O 3.56Å; I583-I607 VanDerWaalsContact CA-O 3.31Å; I583-I607 WeakPolarHBondContact CA-O 3.5Å; V584-I607 PolarHBondContact N-O 2.93Å; V605-I607 HydrophobicContact CG1-CG1 4.41Å; I607-V609 HydrophobicContact CG2-CG2 4.25Å; I607-V623 HydrophobicContact CG2-CG1 4.16Å; I607-V625 HydrophobicContact CB-CG2 4.49Å; I607-V625 HydrophobicContact CG1-CG1 4.08Å; I607-V625 HydrophobicContact CG1-CG2 4.07Å; I607-V625 HydrophobicContact CG2-CG2 4.24Å; I607-L654 HydrophobicContact CG2-CD1 3.77Å; I607-K657 HydrophobicContact CD1-CG 4.09Å; I607-V658 HydrophobicContact CD1-CG2 3.66Å
608	I	96.4	Very high	89.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.6	-177.7	-59.8	71.4	0	0	0	107.5	L294 L295 V584 Q586 F593 F606 V623 A624 T626	L294-I608 HydrophobicContact CB-CG2 4.11Å; L295-I608 HydrophobicContact CD1-CD1 4.19Å; L295-I608 HydrophobicContact CD2-CD1 4.38Å; V584-I608 HydrophobicContact CB-CG1 4.45Å; V584-I608 WeakPolarHBondContact O-CA 3.3Å; Q586-I608 HydrophobicContact CG-CG2 4.27Å; F593-I608 HydrophobicContact CB-CG1 4.09Å; F593-I608 HydrophobicContact CD1-CD1 3.89Å; F593-I608 HydrophobicContact CD1-CG1 3.88Å; F593-I608 HydrophobicContact CE1-CD1 4.4Å; F593-I608 HydrophobicContact CG-CG1 4.17Å; F606-I608 HydrophobicContact CB-CD1 4.09Å; I608-V623 WeakPolarHBondContact O-CA 3.31Å; I608-A624 HydrophobicContact CB-CB 4.49Å; I608-A624 PolarHBondContact N-O 2.75Å; I608-A624 PolarHBondContact O-N 3.21Å; I608-T626 HydrophobicContact CD1-CG2 4.05Å
609	V	96.6	Very high	89.2	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	109.4	178.4	-177.6	0	0	0	0	108.1	F511 I583 V584 F585 Q586 I607 Y621 V623 F650 L654	F511-V609 HydrophobicContact CD2-CG1 4.47Å; F511-V609 HydrophobicContact CE2-CG1 3.95Å; F511-V609 HydrophobicContact CZ-CG1 4.48Å; I583-V609 HydrophobicContact CG2-CG2 4.17Å; V584-V609 PolarHBondContact O-N 3.2Å; F585-V609 CarbonylContact C-O 3.55Å; F585-V609 WeakPolarHBondContact CA-O 3.41Å; Q586-V609 PolarHBondContact N-O 3.06Å; I607-V609 HydrophobicContact CG2-CG2 4.25Å; V609-Y621 HydrophobicContact CG1-CD1 3.9Å; V609-Y621 HydrophobicContact CG1-CG 4.16Å; V609-V623 HydrophobicContact CG2-CG2 4.5Å; V609-F650 HydrophobicContact CG1-CE1 4.41Å; V609-F650 HydrophobicContact CG1-CZ 3.95Å; V609-L654 HydrophobicContact CG2-CD1 4.39Å; V609-L654 HydrophobicContact CG2-CD2 4.48Å
610	Q	95	Very high	89.5	Confident	15 Å²	15	42.2 Å²	42.2	7%	0.07	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130	175.6	-174.7	-178.6	68.3	0	0	110	L294 Q586 H612 Y621 R622	L294-Q610 HydrophobicContact CD2-CB 3.63Å; L294-Q610 VanDerWaalsContact CD2-CD 3.42Å; L294-Q610 HydrophobicContact CD2-CG 4.15Å; Q586-Q610 HydrophobicContact CB-CB 3.93Å; Q586-Q610 HydrophobicContact CB-CG 3.99Å; Q586-Q610 WeakPolarHBondContact O-CA 3.3Å; Q610-H612 PolarHBondContact OE1-NE2 3.3Å; Q610-Y621 CarbonylContact O-C 3.6Å; Q610-Y621 VanDerWaalsContact O-CA 3.31Å; Q610-Y621 WeakPolarHBondContact O-CA 3.4Å; Q610-R622 PolarHBondContact N-O 3.18Å; Q610-R622 PolarHBondContact O-N 2.76Å
611	V	94.6	Very high	89.9	Confident	2 Å²	2	42 Å²	42	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	139.8	173.8	68	0	0	0	0	111.1	A507 F585 Q586 P614 Y621	A507-V611 HydrophobicContact CB-CG1 4.07Å; F585-V611 HydrophobicContact CE1-CG1 4.1Å; F585-V611 HydrophobicContact CE2-CB 4.24Å; F585-V611 HydrophobicContact CE2-CG1 4.48Å; F585-V611 HydrophobicContact CZ-CB 3.83Å; F585-V611 HydrophobicContact CZ-CG1 3.63Å; Q586-V611 PolarHBondContact O-N 3.38Å; V611-P614 HydrophobicContact CG1-CB 4.25Å; V611-P614 HydrophobicContact CG2-CB 4.06Å; V611-Y621 HydrophobicContact CB-CD1 3.92Å; V611-Y621 HydrophobicContact CB-CE1 3.85Å; V611-Y621 HydrophobicContact CG2-CD1 4.03Å; V611-Y621 HydrophobicContact CG2-CE1 3.66Å
612	H	90.6	Very high	90.4	Very high	44 Å²	44	40.7 Å²	40.7	20%	0.204	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.9	171.2	-74.9	-103.7	0	0	0	109.2	Q610 P614 A619 Y620 R622	Q610-H612 PolarHBondContact OE1-NE2 3.3Å; H612-P614 VanDerWaalsContact C-CD 3.46Å; H612-P614 VanDerWaalsContact C-N 3.35Å; H612-A619 WeakPolarHBondContact O-CA 3.35Å; H612-Y620 HydrophobicContact CB-CD1 4.01Å; H612-Y620 HydrophobicContact CB-CD2 3.92Å; H612-Y620 HydrophobicContact CB-CE1 3.59Å; H612-Y620 HydrophobicContact CB-CE2 3.48Å; H612-Y620 VanDerWaalsContact CB-CE2 3.48Å; H612-Y620 HydrophobicContact CB-CG 4.16Å; H612-Y620 AromaticContact CD2-CE2 3.97Å; H612-Y620 AromaticContact CG-CE2 3.54Å; H612-Y620 AromaticContact CG-CZ 3.59Å; H612-Y620 PolarHBondContact N-O 2.95Å; H612-Y620 AromaticContact ND1-CZ 3.94Å; H612-Y620 PolarHBondContact ND1-OH 3.24Å; H612-Y620 PolarHBondContact O-N 2.94Å; H612-R622 VanDerWaalsContact NE2-CD 3.33Å; H612-R622 WeakPolarHBondContact NE2-CD 3.27Å
613	E	86.7	Confident	90.8	Very high	106 Å²	106	37.3 Å²	37.3	50%	0.495	20%	0.204	S	C	.	.	S	Bend	trans	45.9	45.7	-177.8	-52.4	-169.3	124.3	0	0	115.3	T616 H618 A619 Y620	E613-T616 HydrophobicContact CB-CG2 4.44Å; E613-T616 WeakPolarHBondContact O-CB 3.45Å; E613-T616 WeakPolarHBondContact O-CG2 3.4Å; E613-T616 PolarHBondContact O-N 3.13Å; E613-T616 PolarHBondContact O-OG1 3.37Å; E613-H618 VanDerWaalsContact OE2-CB 3.29Å; E613-H618 WeakPolarHBondContact OE2-CB 3.44Å; E613-A619 WeakPolarHBondContact O-CB 3.32Å; E613-Y620 HydrophobicContact CG-CE1 4.5Å
614	P	85.1	Confident	90.9	Very high	55 Å²	55	37.3 Å²	37.3	36%	0.357	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	137.7	-171	26.4	-35.5	0	0	0	113	A507 P588 V611 H612	A507-P614 HydrophobicContact CB-CB 3.6Å; P588-P614 HydrophobicContact CG-CG 4.03Å; V611-P614 HydrophobicContact CG1-CB 4.25Å; V611-P614 HydrophobicContact CG2-CB 4.06Å; H612-P614 VanDerWaalsContact C-CD 3.46Å; H612-P614 VanDerWaalsContact C-N 3.35Å
615	G	75.5	Confident	90.9	Very high	70 Å²	70	37.3 Å²	37.3	72%	0.722	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.8	11.5	-177.6	0	0	0	0	0	114.7
616	T	83.4	Confident	90.8	Very high	61 Å²	61	37.3 Å²	37.3	37%	0.374	20%	0.204	S	C	.	.	S	Bend	trans	-111.3	162.6	172	75.2	0	0	0	0	111.3	E613 H618 A619	E613-T616 HydrophobicContact CB-CG2 4.44Å; E613-T616 WeakPolarHBondContact O-CB 3.45Å; E613-T616 WeakPolarHBondContact O-CG2 3.4Å; E613-T616 PolarHBondContact O-N 3.13Å; E613-T616 PolarHBondContact O-OG1 3.37Å; T616-H618 PolarHBondContact O-N 3.32Å; T616-H618 PolarHBondContact OG1-N 2.61Å; T616-A619 WeakPolarHBondContact O-CB 3.44Å; T616-A619 PolarHBondContact O-N 2.98Å; T616-A619 PolarHBondContact OG1-N 3.33Å
617	D	78.9	Confident	90.7	Very high	158 Å²	158	38.6 Å²	38.6	85%	0.845	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-13.3	171.7	-74.4	-46.5	0	0	0	113.3
618	H	82.1	Confident	90.4	Very high	149 Å²	149	38.8 Å²	38.8	69%	0.69	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-6.4	177.5	-62.5	-80.1	0	0	0	113.4	E613 T616 Y620	E613-H618 VanDerWaalsContact OE2-CB 3.29Å; E613-H618 WeakPolarHBondContact OE2-CB 3.44Å; T616-H618 PolarHBondContact O-N 3.32Å; T616-H618 PolarHBondContact OG1-N 2.61Å; H618-Y620 PolarHBondContact O-N 2.92Å
619	A	88.3	Confident	90.1	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.033	23%	0.233	C	C	.	.			trans	-49.1	120.4	-175.4	0	0	0	0	0	113.7	H612 E613 T616 R646	H612-A619 WeakPolarHBondContact O-CA 3.35Å; E613-A619 WeakPolarHBondContact O-CB 3.32Å; T616-A619 WeakPolarHBondContact O-CB 3.44Å; T616-A619 PolarHBondContact O-N 2.98Å; T616-A619 PolarHBondContact OG1-N 3.33Å; A619-R646 WeakPolarHBondContact O-CB 3.44Å; A619-R646 PolarHBondContact O-N 2.7Å
620	Y	92.1	Very high	89.7	Confident	49 Å²	49	47.2 Å²	47.2	19%	0.192	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	161.5	179.1	67.8	-91.8	0	0	0	111.8	H612 E613 H618 R622 R643 F644	H612-Y620 HydrophobicContact CB-CD1 4.01Å; H612-Y620 HydrophobicContact CB-CD2 3.92Å; H612-Y620 HydrophobicContact CB-CE1 3.59Å; H612-Y620 HydrophobicContact CB-CE2 3.48Å; H612-Y620 VanDerWaalsContact CB-CE2 3.48Å; H612-Y620 HydrophobicContact CB-CG 4.16Å; H612-Y620 AromaticContact CD2-CE2 3.97Å; H612-Y620 AromaticContact CG-CE2 3.54Å; H612-Y620 AromaticContact CG-CZ 3.59Å; H612-Y620 PolarHBondContact N-O 2.95Å; H612-Y620 AromaticContact ND1-CZ 3.94Å; H612-Y620 PolarHBondContact ND1-OH 3.24Å; H612-Y620 PolarHBondContact O-N 2.94Å; E613-Y620 HydrophobicContact CG-CE1 4.5Å; H618-Y620 PolarHBondContact O-N 2.92Å; Y620-R622 HydrophobicContact CD2-CG 4.44Å; Y620-R622 HydrophobicContact CE2-CG 4.08Å; Y620-R643 HydrophobicContact CD2-CB 3.9Å; Y620-R643 HydrophobicContact CD2-CG 4.15Å; Y620-R643 HydrophobicContact CE2-CB 4.35Å; Y620-R643 HydrophobicContact CE2-CG 4.07Å; Y620-R643 HydrophobicContact CG-CB 4.36Å; Y620-F644 CarbonylContact C-O 3.4Å; Y620-F644 WeakPolarHBondContact CA-O 3.48Å
621	Y	94.3	Very high	89.5	Confident	1 Å²	1	46.6 Å²	46.6	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.9	177.8	-54.6	-76.4	0	0	0	110.7	F511 L514 F585 V609 Q610 V611 F644 R646 F650	F511-Y621 HydrophobicContact CD2-CE1 4.16Å; L514-Y621 HydrophobicContact CD2-CE2 4.03Å; F585-Y621 HydrophobicContact CE2-CE1 4.12Å; V609-Y621 HydrophobicContact CG1-CD1 3.9Å; V609-Y621 HydrophobicContact CG1-CG 4.16Å; Q610-Y621 CarbonylContact O-C 3.6Å; Q610-Y621 VanDerWaalsContact O-CA 3.31Å; Q610-Y621 WeakPolarHBondContact O-CA 3.4Å; V611-Y621 HydrophobicContact CB-CD1 3.92Å; V611-Y621 HydrophobicContact CB-CE1 3.85Å; V611-Y621 HydrophobicContact CG2-CD1 4.03Å; V611-Y621 HydrophobicContact CG2-CE1 3.66Å; Y621-F644 PolarHBondContact N-O 3.37Å; Y621-F644 PolarHBondContact O-N 3.41Å; Y621-R646 HydrophobicContact CE2-CB 4.03Å; Y621-R646 HydrophobicContact CE2-CG 4.12Å; Y621-F650 HydrophobicContact CD1-CE1 4.42Å; Y621-F650 AromaticContact CD2-CD1 3.42Å; Y621-F650 HydrophobicContact CD2-CD1 3.42Å; Y621-F650 VanDerWaalsContact CD2-CD1 3.42Å; Y621-F650 AromaticContact CD2-CE1 3.25Å; Y621-F650 HydrophobicContact CD2-CE1 3.25Å; Y621-F650 HydrophobicContact CD2-CG 4.27Å; Y621-F650 AromaticContact CD2-CZ 3.99Å; Y621-F650 HydrophobicContact CD2-CZ 3.99Å; Y621-F650 AromaticContact CE2-CD1 3.81Å; Y621-F650 HydrophobicContact CE2-CD1 3.81Å; Y621-F650 AromaticContact CE2-CE1 3.79Å; Y621-F650 HydrophobicContact CE2-CE1 3.79Å; Y621-F650 HydrophobicContact CG-CD1 4.23Å; Y621-F650 AromaticContact CG-CE1 3.61Å; Y621-F650 HydrophobicContact CG-CE1 3.61Å; Y621-F650 AromaticContact CG-CZ 3.97Å; Y621-F650 HydrophobicContact CG-CZ 3.97Å
622	R	93.9	Very high	89.3	Confident	61 Å²	61	47.9 Å²	47.9	23%	0.23	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	142.7	163.4	-64.5	169	80.1	-160.1	12.3	108.4	E293 L294 Q610 H612 Y620	E293-R622 IonicContact OE2-CZ 3.84Å; E293-R622 IonicContact OE2-NH1 3.49Å; E293-R622 PolarHBondContact OE2-NH1 3.3Å; E293-R622 IonicContact OE2-NH2 2.79Å; E293-R622 PolarHBondContact OE2-NH2 3.42Å; L294-R622 HydrophobicContact CD1-CB 3.97Å; Q610-R622 PolarHBondContact N-O 3.18Å; Q610-R622 PolarHBondContact O-N 2.76Å; H612-R622 VanDerWaalsContact NE2-CD 3.33Å; H612-R622 WeakPolarHBondContact NE2-CD 3.27Å; Y620-R622 HydrophobicContact CD2-CG 4.44Å; Y620-R622 HydrophobicContact CE2-CG 4.08Å
623	V	94.5	Very high	89.3	Confident	8 Å²	8	47.6 Å²	47.6	5%	0.048	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.7	-178.3	-178.6	0	0	0	0	110.5	I607 I608 V609 V625 F638 F644 F650 Y653	I607-V623 HydrophobicContact CG2-CG1 4.16Å; I608-V623 WeakPolarHBondContact O-CA 3.31Å; V609-V623 HydrophobicContact CG2-CG2 4.5Å; V623-V625 HydrophobicContact CG1-CG2 4.36Å; V623-F638 WeakPolarHBondContact O-CE2 3.38Å; V623-F644 HydrophobicContact CB-CE2 4.19Å; V623-F644 HydrophobicContact CG2-CD2 3.93Å; V623-F644 HydrophobicContact CG2-CE2 3.98Å; V623-F650 HydrophobicContact CG2-CE2 3.75Å; V623-F650 HydrophobicContact CG2-CZ 4.12Å; V623-Y653 HydrophobicContact CG2-CE1 4.45Å
624	A	94.6	Very high	89.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.9	162.1	0	0	0	0	0	109.5	L294 L295 E304 I608	L294-A624 HydrophobicContact CB-CB 4.23Å; L294-A624 HydrophobicContact CD1-CB 3.97Å; L295-A624 HydrophobicContact CB-CB 4.21Å; L295-A624 HydrophobicContact CD2-CB 3.85Å; E304-A624 CarbonylContact O-C 3.49Å; E304-A624 WeakPolarHBondContact O-CA 3.35Å; I608-A624 HydrophobicContact CB-CB 4.49Å; I608-A624 PolarHBondContact N-O 2.75Å; I608-A624 PolarHBondContact O-N 3.21Å
625	V	95.4	Very high	89.7	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.4	178.8	-176.3	0	0	0	0	109.1	L295 N303 E304 V605 F606 I607 V623 F634	L295-V625 WeakPolarHBondContact CD2-O 3.36Å; N303-V625 CarbonylContact C-O 3.47Å; N303-V625 WeakPolarHBondContact CA-O 3.2Å; E304-V625 HydrophobicContact CB-CB 4.18Å; E304-V625 PolarHBondContact N-O 3.34Å; E304-V625 PolarHBondContact O-N 3.03Å; V605-V625 HydrophobicContact CG1-CG1 3.95Å; F606-V625 CarbonylContact O-C 3.54Å; F606-V625 WeakPolarHBondContact O-CA 3.23Å; F606-V625 WeakPolarHBondContact O-CG1 3.27Å; I607-V625 HydrophobicContact CB-CG2 4.49Å; I607-V625 HydrophobicContact CG1-CG1 4.08Å; I607-V625 HydrophobicContact CG1-CG2 4.07Å; I607-V625 HydrophobicContact CG2-CG2 4.24Å; V623-V625 HydrophobicContact CG1-CG2 4.36Å; V625-F634 HydrophobicContact CG1-CE2 4.46Å; V625-F634 HydrophobicContact CG1-CZ 3.87Å
626	T	94.9	Very high	90.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.6	170.4	-175.9	0	0	0	0	110	L295 R302 N303 F593 P595 V605 F606 I608	L295-T626 HydrophobicContact CD1-CG2 3.68Å; L295-T626 HydrophobicContact CD2-CG2 4.46Å; R302-T626 WeakPolarHBondContact O-CA 3.26Å; N303-T626 WeakPolarHBondContact OD1-CB 3.46Å; N303-T626 PolarHBondContact OD1-OG1 3.16Å; F593-T626 HydrophobicContact CE1-CG2 4.24Å; P595-T626 HydrophobicContact CG-CG2 3.56Å; V605-T626 CarbonylContact C-O 3.55Å; V605-T626 WeakPolarHBondContact CA-O 3.41Å; F606-T626 HydrophobicContact CB-CG2 3.8Å; F606-T626 HydrophobicContact CD2-CG2 4.06Å; F606-T626 HydrophobicContact CG-CG2 4.38Å; F606-T626 PolarHBondContact N-O 2.79Å; F606-T626 PolarHBondContact O-N 3.28Å; I608-T626 HydrophobicContact CD1-CG2 4.05Å
627	R	94.5	Very high	90.6	Very high	28 Å²	28	37.2 Å²	37.2	11%	0.106	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.9	-175	58.3	175.7	166.1	68.7	22	111.1	F301 R302 E304 H604 V605 I631 L633 F634	F301-R627 CarbonylContact C-O 3.5Å; F301-R627 WeakPolarHBondContact CA-O 3.48Å; F301-R627 WeakPolarHBondContact CD1-O 3.22Å; R302-R627 PolarHBondContact N-O 2.8Å; R302-R627 PolarHBondContact O-N 3.45Å; E304-R627 WeakPolarHBondContact OE1-CD 3.43Å; E304-R627 IonicContact OE1-CZ 2.7Å; E304-R627 IonicContact OE1-NE 2.84Å; E304-R627 PolarHBondContact OE1-NE 3.42Å; E304-R627 IonicContact OE1-NH2 3.29Å; H604-R627 CarbonylContact O-C 3.4Å; H604-R627 VanDerWaalsContact O-CA 3.31Å; H604-R627 WeakPolarHBondContact O-CA 3.49Å; V605-R627 HydrophobicContact CG1-CB 4.46Å; V605-R627 HydrophobicContact CG2-CB 4.02Å; R627-I631 HydrophobicContact CB-CB 4.37Å; R627-I631 HydrophobicContact CB-CG2 4.42Å; R627-I631 PolarHBondContact NH1-O 3.17Å; R627-L633 VanDerWaalsContact NH2-CD2 3.26Å; R627-F634 HydrophobicContact CB-CE1 4.35Å
628	S	92.1	Very high	90.9	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.028	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	145.5	172.4	-60.4	0	0	0	0	111.3	H300 F301 H604 D630 I631	H300-S628 CarbonylContact O-C 3.46Å; H300-S628 WeakPolarHBondContact O-CA 3.33Å; F301-S628 VanDerWaalsContact CZ-OG 3.31Å; F301-S628 WeakPolarHBondContact CZ-OG 3.26Å; H604-S628 WeakPolarHBondContact CB-OG 3.31Å; H604-S628 PolarHBondContact CD2-OG 3.24Å; H604-S628 PolarHBondContact O-N 3.18Å; H604-S628 PolarHBondContact O-OG 2.89Å; S628-D630 VanDerWaalsContact CB-OD1 3.31Å; S628-D630 WeakPolarHBondContact CB-OD1 3.45Å; S628-D630 PolarHBondContact O-N 3.4Å; S628-I631 WeakPolarHBondContact O-CB 3.42Å; S628-I631 PolarHBondContact O-N 2.72Å
629	K	89.4	Confident	90.9	Very high	112 Å²	112	25.7 Å²	25.7	49%	0.487	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.2	-169.3	66.1	170	169.8	-168.5	0	115.3	D285 H300 R302	D285-K629 VanDerWaalsContact OD2-CD 3.29Å; D285-K629 WeakPolarHBondContact OD2-CD 3.25Å; D285-K629 WeakPolarHBondContact OD2-CE 3.29Å; D285-K629 IonicContact OD2-NZ 3.48Å; D285-K629 PolarHBondContact OD2-NZ 3.47Å; H300-K629 PolarHBondContact O-N 2.81Å; R302-K629 HydrophobicContact CG-CB 4.35Å
630	D	87.3	Confident	90.5	Very high	65 Å²	65	32.7 Å²	32.7	35%	0.348	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.7	179.9	64.3	-41	0	0	0	113.4	S628 S668	S628-D630 VanDerWaalsContact CB-OD1 3.31Å; S628-D630 WeakPolarHBondContact CB-OD1 3.45Å; S628-D630 PolarHBondContact O-N 3.4Å; D630-S668 WeakPolarHBondContact OD2-CB 3.38Å; D630-S668 PolarHBondContact OD2-OG 3.43Å
631	I	91.6	Very high	90.1	Very high	2 Å²	2	32 Å²	32	1%	0.01	16%	0.161	C	C	.	.	S	Bend	trans	-92.2	126.7	172.2	-60.3	-178.4	0	0	0	108.6	H604 V605 R627 S628 F634 A664 A665	H604-I631 HydrophobicContact CB-CD1 3.52Å; V605-I631 HydrophobicContact CG2-CD1 3.74Å; R627-I631 HydrophobicContact CB-CB 4.37Å; R627-I631 HydrophobicContact CB-CG2 4.42Å; R627-I631 PolarHBondContact NH1-O 3.17Å; S628-I631 WeakPolarHBondContact O-CB 3.42Å; S628-I631 PolarHBondContact O-N 2.72Å; I631-F634 HydrophobicContact CG2-CD1 4.36Å; I631-F634 HydrophobicContact CG2-CE1 4.33Å; I631-A664 HydrophobicContact CG2-CB 3.83Å; I631-A665 HydrophobicContact CD1-CB 3.78Å
632	P	90.3	Very high	89.7	Confident	28 Å²	28	32.2 Å²	32.2	18%	0.182	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-67.6	163.8	178.2	29.5	-35.3	0	0	0	112	F634 A664 K667	P632-F634 WeakPolarHBondContact O-CD1 3.14Å; P632-A664 HydrophobicContact CG-CB 4.1Å; P632-K667 HydrophobicContact CG-CB 4.5Å
633	L	90	Very high	89.5	Confident	38 Å²	38	32.7 Å²	32.7	20%	0.199	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-55.3	142.7	165.5	-73.4	166.3	0	0	0	110.5	E304 H356 R627	E304-L633 HydrophobicContact CG-CD2 4.16Å; E304-L633 WeakPolarHBondContact OE1-CD2 3.2Å; H356-L633 PolarHBondContact NE2-O 2.91Å; H356-L633 VanDerWaalsContact NE2-O 3.11Å; R627-L633 VanDerWaalsContact NH2-CD2 3.26Å
634	F	93.4	Very high	89.3	Confident	1 Å²	1	33 Å²	33	0%	0.004	17%	0.166	C	C	.	.			trans	-140.9	138.5	178.3	56.4	-97.6	0	0	0	111.7	E355 V605 V625 R627 I631 P632 K657 N660 A661 A664	E355-F634 WeakPolarHBondContact OE2-CA 3.33Å; V605-F634 HydrophobicContact CG1-CE1 4.34Å; V605-F634 HydrophobicContact CG1-CZ 3.8Å; V605-F634 HydrophobicContact CG2-CE1 4.43Å; V625-F634 HydrophobicContact CG1-CE2 4.46Å; V625-F634 HydrophobicContact CG1-CZ 3.87Å; R627-F634 HydrophobicContact CB-CE1 4.35Å; I631-F634 HydrophobicContact CG2-CD1 4.36Å; I631-F634 HydrophobicContact CG2-CE1 4.33Å; P632-F634 WeakPolarHBondContact O-CD1 3.14Å; F634-K657 HydrophobicContact CD2-CD 3.93Å; F634-K657 HydrophobicContact CE2-CD 3.75Å; F634-K657 HydrophobicContact CE2-CG 4.08Å; F634-K657 PolarHBondContact O-NZ 3.17Å; F634-N660 HydrophobicContact CB-CB 4.2Å; F634-N660 HydrophobicContact CD2-CB 4.27Å; F634-A661 HydrophobicContact CD2-CB 4.07Å; F634-A661 HydrophobicContact CE1-CB 4.04Å; F634-A661 HydrophobicContact CE2-CB 3.48Å; F634-A661 VanDerWaalsContact CE2-CB 3.48Å; F634-A661 HydrophobicContact CZ-CB 3.48Å; F634-A661 VanDerWaalsContact CZ-CB 3.48Å; F634-A664 HydrophobicContact CB-CB 3.93Å; F634-A664 HydrophobicContact CD1-CB 3.69Å; F634-A664 HydrophobicContact CG-CB 4.11Å
635	G	87.7	Confident	89.1	Confident	1 Å²	1	36 Å²	36	1%	0.01	19%	0.185	C	C	.	.	S	Bend	trans	-78.4	174.2	178.9	0	0	0	0	0	114.1	E355 N660	E355-G635 PolarHBondContact OE2-N 3.33Å; G635-N660 WeakPolarHBondContact O-CB 3.45Å; G635-N660 PolarHBondContact O-ND2 3.32Å
636	P	89.9	Confident	88.6	Confident	18 Å²	18	41.6 Å²	41.6	12%	0.117	21%	0.206	C	C	.	.			cis	-60.8	149.8	-10.8	25.1	-34.1	0	0	0	112.5	Y352 Y653 A656 K657	Y352-P636 HydrophobicContact CD1-CB 3.87Å; Y352-P636 HydrophobicContact CD1-CG 4.11Å; Y352-P636 HydrophobicContact CE1-CB 4.06Å; Y352-P636 HydrophobicContact CE1-CG 4.37Å; P636-Y653 HydrophobicContact CB-CD2 3.88Å; P636-Y653 HydrophobicContact CB-CE2 3.79Å; P636-Y653 HydrophobicContact CG-CD2 3.37Å; P636-Y653 HydrophobicContact CG-CE2 3.45Å; P636-Y653 VanDerWaalsContact CG-CE2 3.45Å; P636-Y653 HydrophobicContact CG-CG 4.24Å; P636-A656 HydrophobicContact CG-CB 4.42Å; P636-K657 HydrophobicContact CG-CB 4.36Å; P636-K657 VanDerWaalsContact O-CD 3.28Å; P636-K657 WeakPolarHBondContact O-CD 3.37Å; P636-K657 PolarHBondContact O-NZ 2.88Å
637	L	86.4	Confident	88.3	Confident	54 Å²	54	43 Å²	43	28%	0.283	22%	0.215	S	C	.	.			trans	-99.1	157.5	170.9	-60.4	175	0	0	0	108.4	Q310	Q310-L637 HydrophobicContact CB-CD1 3.88Å
638	F	85.4	Confident	88	Confident	13 Å²	13	46.3 Å²	46.3	6%	0.057	24%	0.24	C	C	.	.			trans	-137.5	150.3	-172.3	57.7	-78.8	0	0	0	110.5	G306 G307 V623 A642 F644 Y653	G306-F638 CarbonylContact C-O 3.54Å; G306-F638 WeakPolarHBondContact CA-O 3.43Å; G307-F638 PolarHBondContact N-O 2.22Å; V623-F638 WeakPolarHBondContact O-CE2 3.38Å; F638-A642 HydrophobicContact CB-CB 4.33Å; F638-A642 HydrophobicContact CD2-CB 4.09Å; F638-F644 HydrophobicContact CB-CZ 3.92Å; F638-F644 HydrophobicContact CG-CZ 4.4Å; F638-Y653 HydrophobicContact CB-CE2 4.48Å; F638-Y653 WeakPolarHBondContact CD1-OH 3.36Å; F638-Y653 WeakPolarHBondContact CG-OH 3.36Å
639	P	82.1	Confident	87.8	Confident	52 Å²	52	48 Å²	48	34%	0.338	25%	0.254	S	S	.	.			trans	-69.5	160.2	178	28	-33	0	0	0	111.6	G306 G641 A642 V944	G306-P639 WeakPolarHBondContact CA-O 3.47Å; P639-G641 PolarHBondContact O-N 2.86Å; P639-A642 HydrophobicContact CG-CB 4.05Å; P639-A642 WeakPolarHBondContact O-CB 3.17Å; P639-A642 PolarHBondContact O-N 3.27Å; P639-V944 HydrophobicContact CB-CG2 3.87Å; P639-V944 HydrophobicContact CG-CG2 3.57Å
640	R	81.2	Confident	87.9	Confident	152 Å²	152	42.7 Å²	42.7	57%	0.574	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	135.3	173.3	-172.1	160.1	-67.9	-103.7	-14.6	109.4	T305 G306 A642	T305-R640 PolarHBondContact OG1-NH2 3.12Å; G306-R640 WeakPolarHBondContact O-CB 3.34Å; G306-R640 PolarHBondContact O-NE 2.89Å; G306-R640 VanDerWaalsContact O-NE 3.16Å; G306-R640 PolarHBondContact O-NH2 2.75Å; R640-A642 VanDerWaalsContact C-N 3.31Å; R640-A642 PolarHBondContact O-N 2.9Å
641	G	82.3	Confident	88.2	Confident	34 Å²	34	42.3 Å²	42.3	35%	0.351	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	8.2	-179.4	0	0	0	0	0	115.9	P639 R643	P639-G641 PolarHBondContact O-N 2.86Å; G641-R643 PolarHBondContact O-N 2.67Å; G641-R643 VanDerWaalsContact O-N 3.12Å
642	A	86.5	Confident	88.2	Confident	6 Å²	6	44.2 Å²	44.2	5%	0.05	24%	0.235	C	C	.	.			trans	-51.1	116.6	-176.7	0	0	0	0	0	113.8	F638 P639 R640 F644	F638-A642 HydrophobicContact CB-CB 4.33Å; F638-A642 HydrophobicContact CD2-CB 4.09Å; P639-A642 HydrophobicContact CG-CB 4.05Å; P639-A642 WeakPolarHBondContact O-CB 3.17Å; P639-A642 PolarHBondContact O-N 3.27Å; R640-A642 VanDerWaalsContact C-N 3.31Å; R640-A642 PolarHBondContact O-N 2.9Å; A642-F644 HydrophobicContact CB-CD2 4.37Å; A642-F644 HydrophobicContact CB-CE2 3.73Å; A642-F644 HydrophobicContact CB-CZ 4.1Å
643	R	89.6	Confident	88.3	Confident	71 Å²	71	43.1 Å²	43.1	27%	0.268	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-94.2	116.4	171.7	-55.5	-177.3	-168.5	171.2	6.1	108.4	Y620 G641 D950	Y620-R643 HydrophobicContact CD2-CB 3.9Å; Y620-R643 HydrophobicContact CD2-CG 4.15Å; Y620-R643 HydrophobicContact CE2-CB 4.35Å; Y620-R643 HydrophobicContact CE2-CG 4.07Å; Y620-R643 HydrophobicContact CG-CB 4.36Å; G641-R643 PolarHBondContact O-N 2.67Å; G641-R643 VanDerWaalsContact O-N 3.12Å; R643-D950 IonicContact CZ-OD2 3.08Å; R643-D950 IonicContact NH1-OD2 3.83Å; R643-D950 PolarHBondContact NH1-OD2 3.17Å; R643-D950 VanDerWaalsContact NH1-OD2 3.07Å; R643-D950 IonicContact NH2-OD2 3.53Å; R643-D950 PolarHBondContact NH2-OD2 2.97Å
644	F	90.5	Very high	88.6	Confident	15 Å²	15	41.3 Å²	41.3	7%	0.066	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	111.4	-178.9	-67.8	-90.5	0	0	0	111.1	Y620 Y621 V623 F638 A642 F650 Y653	Y620-F644 CarbonylContact C-O 3.4Å; Y620-F644 WeakPolarHBondContact CA-O 3.48Å; Y621-F644 PolarHBondContact N-O 3.37Å; Y621-F644 PolarHBondContact O-N 3.41Å; V623-F644 HydrophobicContact CB-CE2 4.19Å; V623-F644 HydrophobicContact CG2-CD2 3.93Å; V623-F644 HydrophobicContact CG2-CE2 3.98Å; F638-F644 HydrophobicContact CB-CZ 3.92Å; F638-F644 HydrophobicContact CG-CZ 4.4Å; A642-F644 HydrophobicContact CB-CD2 4.37Å; A642-F644 HydrophobicContact CB-CE2 3.73Å; A642-F644 HydrophobicContact CB-CZ 4.1Å; F644-F650 HydrophobicContact CB-CB 4.42Å; F644-F650 HydrophobicContact CB-CD2 3.45Å; F644-F650 VanDerWaalsContact CB-CD2 3.45Å; F644-F650 HydrophobicContact CB-CE2 3.87Å; F644-F650 HydrophobicContact CB-CG 4.01Å; F644-F650 AromaticContact CD1-CD2 3.71Å; F644-F650 HydrophobicContact CD1-CD2 3.71Å; F644-F650 HydrophobicContact CD1-CE2 4.31Å; F644-F650 HydrophobicContact CD2-CD2 4.44Å; F644-F650 HydrophobicContact CD2-CE2 4.31Å; F644-F650 AromaticContact CG-CD2 3.63Å; F644-F650 HydrophobicContact CG-CD2 3.63Å; F644-F650 AromaticContact CG-CE2 3.93Å; F644-F650 HydrophobicContact CG-CE2 3.93Å; F644-Y653 HydrophobicContact CD1-CD1 4.34Å; F644-Y653 AromaticContact CE1-CD1 3.85Å; F644-Y653 HydrophobicContact CE1-CD1 3.85Å; F644-Y653 HydrophobicContact CE1-CD2 4.02Å; F644-Y653 AromaticContact CE1-CE1 3.82Å; F644-Y653 HydrophobicContact CE1-CE1 3.82Å; F644-Y653 AromaticContact CE1-CE2 3.98Å; F644-Y653 HydrophobicContact CE1-CE2 3.98Å; F644-Y653 AromaticContact CE1-CG 3.98Å; F644-Y653 HydrophobicContact CE1-CG 3.98Å; F644-Y653 AromaticContact CE1-CZ 3.9Å; F644-Y653 HydrophobicContact CE2-CE1 4.25Å; F644-Y653 HydrophobicContact CZ-CD1 4.18Å; F644-Y653 HydrophobicContact CZ-CD2 4.42Å; F644-Y653 AromaticContact CZ-CE1 3.64Å; F644-Y653 HydrophobicContact CZ-CE1 3.64Å; F644-Y653 AromaticContact CZ-CE2 3.91Å; F644-Y653 HydrophobicContact CZ-CE2 3.91Å; F644-Y653 AromaticContact CZ-CZ 3.51Å
645	P	89.7	Confident	88.7	Confident	62 Å²	62	41.3 Å²	41.3	40%	0.403	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	145.6	178.7	29	-34.9	0	0	0	111.3	S647	P645-S647 WeakPolarHBondContact O-CB 3.49Å; P645-S647 PolarHBondContact O-N 2.84Å; P645-S647 PolarHBondContact O-OG 2.99Å
646	R	86.8	Confident	89	Confident	118 Å²	118	41.2 Å²	41.2	45%	0.445	22%	0.218	S	C	.	.	S	Bend	trans	-57.9	97.6	177.6	-172.3	-168.6	69.9	123.5	-8.8	111.6	E510 L514 A619 Y621	E510-R646 VanDerWaalsContact OE1-CD 3.23Å; E510-R646 WeakPolarHBondContact OE1-CD 3.45Å; E510-R646 IonicContact OE1-CZ 3.45Å; E510-R646 IonicContact OE1-NE 3.26Å; E510-R646 PolarHBondContact OE1-NE 3.05Å; E510-R646 IonicContact OE1-NH1 2.72Å; E510-R646 PolarHBondContact OE1-NH1 3.3Å; L514-R646 HydrophobicContact CD2-CG 4.1Å; A619-R646 WeakPolarHBondContact O-CB 3.44Å; A619-R646 PolarHBondContact O-N 2.7Å; Y621-R646 HydrophobicContact CE2-CB 4.03Å; Y621-R646 HydrophobicContact CE2-CG 4.12Å
647	S	88.1	Confident	89.3	Confident	28 Å²	28	40.4 Å²	40.4	20%	0.196	21%	0.212	C	C	.	.	S	Bend	trans	-155.6	157.5	-166.7	62.5	0	0	0	0	112.9	P645 A649 F650 R651	P645-S647 WeakPolarHBondContact O-CB 3.49Å; P645-S647 PolarHBondContact O-N 2.84Å; P645-S647 PolarHBondContact O-OG 2.99Å; S647-A649 PolarHBondContact O-N 2.76Å; S647-F650 PolarHBondContact O-N 3.35Å; S647-F650 VanDerWaalsContact O-N 3.09Å; S647-F650 PolarHBondContact OG-N 3.27Å; S647-R651 PolarHBondContact O-N 2.9Å
648	P	87.9	Confident	89.8	Confident	98 Å²	98	37.9 Å²	37.9	64%	0.636	20%	0.199	S	C	*	.	H	α-helix	trans	-58.7	-27.6	170.4	-24.9	35.2	0	0	0	113.5	R651 D652	P648-R651 WeakPolarHBondContact O-CB 3.48Å; P648-R651 PolarHBondContact O-N 3.07Å; P648-D652 PolarHBondContact O-N 2.87Å
649	A	87.9	Confident	90.2	Very high	39 Å²	39	37.2 Å²	37.2	32%	0.322	20%	0.196	S	C	.	.	H	α-helix	trans	-64.9	-40.9	174.1	0	0	0	0	0	111.8	S647 D652 Y653	S647-A649 PolarHBondContact O-N 2.76Å; A649-D652 PolarHBondContact O-N 3.07Å; A649-Y653 WeakPolarHBondContact O-CB 3.29Å; A649-Y653 PolarHBondContact O-N 3.37Å
650	F	91.8	Very high	90.8	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-40.1	173.7	177.2	-118.6	0	0	0	112.5	F511 L514 V609 Y621 V623 F644 S647 Y653 L654	F511-F650 HydrophobicContact CE2-CE1 4.23Å; L514-F650 HydrophobicContact CD2-CD1 4.04Å; V609-F650 HydrophobicContact CG1-CE1 4.41Å; V609-F650 HydrophobicContact CG1-CZ 3.95Å; Y621-F650 HydrophobicContact CD1-CE1 4.42Å; Y621-F650 AromaticContact CD2-CD1 3.42Å; Y621-F650 HydrophobicContact CD2-CD1 3.42Å; Y621-F650 VanDerWaalsContact CD2-CD1 3.42Å; Y621-F650 AromaticContact CD2-CE1 3.25Å; Y621-F650 HydrophobicContact CD2-CE1 3.25Å; Y621-F650 HydrophobicContact CD2-CG 4.27Å; Y621-F650 AromaticContact CD2-CZ 3.99Å; Y621-F650 HydrophobicContact CD2-CZ 3.99Å; Y621-F650 AromaticContact CE2-CD1 3.81Å; Y621-F650 HydrophobicContact CE2-CD1 3.81Å; Y621-F650 AromaticContact CE2-CE1 3.79Å; Y621-F650 HydrophobicContact CE2-CE1 3.79Å; Y621-F650 HydrophobicContact CG-CD1 4.23Å; Y621-F650 AromaticContact CG-CE1 3.61Å; Y621-F650 HydrophobicContact CG-CE1 3.61Å; Y621-F650 AromaticContact CG-CZ 3.97Å; Y621-F650 HydrophobicContact CG-CZ 3.97Å; V623-F650 HydrophobicContact CG2-CE2 3.75Å; V623-F650 HydrophobicContact CG2-CZ 4.12Å; F644-F650 HydrophobicContact CB-CB 4.42Å; F644-F650 HydrophobicContact CB-CD2 3.45Å; F644-F650 VanDerWaalsContact CB-CD2 3.45Å; F644-F650 HydrophobicContact CB-CE2 3.87Å; F644-F650 HydrophobicContact CB-CG 4.01Å; F644-F650 AromaticContact CD1-CD2 3.71Å; F644-F650 HydrophobicContact CD1-CD2 3.71Å; F644-F650 HydrophobicContact CD1-CE2 4.31Å; F644-F650 HydrophobicContact CD2-CD2 4.44Å; F644-F650 HydrophobicContact CD2-CE2 4.31Å; F644-F650 AromaticContact CG-CD2 3.63Å; F644-F650 HydrophobicContact CG-CD2 3.63Å; F644-F650 AromaticContact CG-CE2 3.93Å; F644-F650 HydrophobicContact CG-CE2 3.93Å; S647-F650 PolarHBondContact O-N 3.35Å; S647-F650 VanDerWaalsContact O-N 3.09Å; S647-F650 PolarHBondContact OG-N 3.27Å; F650-Y653 HydrophobicContact CD2-CD1 4.01Å; F650-Y653 HydrophobicContact CE2-CD1 4.1Å; F650-Y653 HydrophobicContact CE2-CE1 4.43Å; F650-Y653 PolarHBondContact O-N 2.83Å; F650-L654 HydrophobicContact CE1-CD2 4.46Å; F650-L654 HydrophobicContact CZ-CD2 4.29Å; F650-L654 WeakPolarHBondContact O-CB 3.49Å; F650-L654 PolarHBondContact O-N 3.16Å
651	R	93.4	Very high	91.5	Very high	57 Å²	57	27.5 Å²	27.5	22%	0.215	15%	0.153	C	C	.	.	H	α-helix	trans	-54.8	-53.6	171.5	174.9	-161.8	173.7	-93.9	1.1	110.7	L514 T545 R546 S647 P648 Y653 L654 L655	L514-R651 HydrophobicContact CD1-CB 4.24Å; L514-R651 HydrophobicContact CG-CB 4.38Å; L514-R651 VanDerWaalsContact O-CD 3.32Å; L514-R651 WeakPolarHBondContact O-CD 3.36Å; L514-R651 WeakPolarHBondContact O-CG 3.47Å; T545-R651 PolarHBondContact OG1-NH2 2.99Å; R546-R651 PolarHBondContact O-NH2 3.48Å; S647-R651 PolarHBondContact O-N 2.9Å; P648-R651 WeakPolarHBondContact O-CB 3.48Å; P648-R651 PolarHBondContact O-N 3.07Å; R651-Y653 VanDerWaalsContact C-N 3.34Å; R651-Y653 PolarHBondContact O-N 3.2Å; R651-L654 PolarHBondContact O-N 2.87Å; R651-L655 HydrophobicContact CG-CD1 3.79Å; R651-L655 HydrophobicContact CG-CG 4.37Å; R651-L655 VanDerWaalsContact CZ-CD1 3.47Å; R651-L655 VanDerWaalsContact O-CG 3.3Å; R651-L655 WeakPolarHBondContact O-CG 3.44Å; R651-L655 PolarHBondContact O-N 3.17Å
652	D	91.7	Very high	92.1	Very high	41 Å²	41	26.4 Å²	26.4	22%	0.219	14%	0.139	C	C	.	.	H	α-helix	trans	-66.8	-36	-176	-76.5	9.3	0	0	0	112.2	Y352 Y547 P648 A649 A656	Y352-D652 HydrophobicContact CD2-CB 4.33Å; Y352-D652 HydrophobicContact CE2-CB 4.29Å; Y547-D652 HydrophobicContact CE2-CB 3.89Å; P648-D652 PolarHBondContact O-N 2.87Å; A649-D652 PolarHBondContact O-N 3.07Å; D652-A656 VanDerWaalsContact O-CB 3.3Å; D652-A656 WeakPolarHBondContact O-CB 3.33Å; D652-A656 PolarHBondContact O-N 2.64Å
653	Y	92.9	Very high	92.4	Very high	5 Å²	5	26.2 Å²	26.2	2%	0.02	14%	0.137	C	C	.	.	H	α-helix	trans	-57.8	-50.7	170.2	166	-92.8	0	0	0	111.8	Y352 V623 P636 F638 F644 A649 F650 R651 A656 K657	Y352-Y653 HydrophobicContact CE1-CD2 4.37Å; Y352-Y653 VanDerWaalsContact CE2-CA 3.43Å; Y352-Y653 VanDerWaalsContact CE2-N 3.34Å; V623-Y653 HydrophobicContact CG2-CE1 4.45Å; P636-Y653 HydrophobicContact CB-CD2 3.88Å; P636-Y653 HydrophobicContact CB-CE2 3.79Å; P636-Y653 HydrophobicContact CG-CD2 3.37Å; P636-Y653 HydrophobicContact CG-CE2 3.45Å; P636-Y653 VanDerWaalsContact CG-CE2 3.45Å; P636-Y653 HydrophobicContact CG-CG 4.24Å; F638-Y653 HydrophobicContact CB-CE2 4.48Å; F638-Y653 WeakPolarHBondContact CD1-OH 3.36Å; F638-Y653 WeakPolarHBondContact CG-OH 3.36Å; F644-Y653 HydrophobicContact CD1-CD1 4.34Å; F644-Y653 AromaticContact CE1-CD1 3.85Å; F644-Y653 HydrophobicContact CE1-CD1 3.85Å; F644-Y653 HydrophobicContact CE1-CD2 4.02Å; F644-Y653 AromaticContact CE1-CE1 3.82Å; F644-Y653 HydrophobicContact CE1-CE1 3.82Å; F644-Y653 AromaticContact CE1-CE2 3.98Å; F644-Y653 HydrophobicContact CE1-CE2 3.98Å; F644-Y653 AromaticContact CE1-CG 3.98Å; F644-Y653 HydrophobicContact CE1-CG 3.98Å; F644-Y653 AromaticContact CE1-CZ 3.9Å; F644-Y653 HydrophobicContact CE2-CE1 4.25Å; F644-Y653 HydrophobicContact CZ-CD1 4.18Å; F644-Y653 HydrophobicContact CZ-CD2 4.42Å; F644-Y653 AromaticContact CZ-CE1 3.64Å; F644-Y653 HydrophobicContact CZ-CE1 3.64Å; F644-Y653 AromaticContact CZ-CE2 3.91Å; F644-Y653 HydrophobicContact CZ-CE2 3.91Å; F644-Y653 AromaticContact CZ-CZ 3.51Å; A649-Y653 WeakPolarHBondContact O-CB 3.29Å; A649-Y653 PolarHBondContact O-N 3.37Å; F650-Y653 HydrophobicContact CD2-CD1 4.01Å; F650-Y653 HydrophobicContact CE2-CD1 4.1Å; F650-Y653 HydrophobicContact CE2-CE1 4.43Å; F650-Y653 PolarHBondContact O-N 2.83Å; R651-Y653 VanDerWaalsContact C-N 3.34Å; R651-Y653 PolarHBondContact O-N 3.2Å; Y653-A656 PolarHBondContact O-N 3.14Å; Y653-K657 WeakPolarHBondContact O-CB 3.44Å; Y653-K657 PolarHBondContact O-N 2.97Å
654	L	95.5	Very high	92.6	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-67.1	-41.9	-177	-179.8	57.9	0	0	0	111.5	F511 L515 I583 I607 V609 F650 R651 K657 V658	F511-L654 HydrophobicContact CE2-CD2 3.82Å; F511-L654 HydrophobicContact CZ-CD2 3.8Å; L515-L654 HydrophobicContact CD1-CD2 4.09Å; I583-L654 HydrophobicContact CD1-CD2 4.44Å; I607-L654 HydrophobicContact CG2-CD1 3.77Å; V609-L654 HydrophobicContact CG2-CD1 4.39Å; V609-L654 HydrophobicContact CG2-CD2 4.48Å; F650-L654 HydrophobicContact CE1-CD2 4.46Å; F650-L654 HydrophobicContact CZ-CD2 4.29Å; F650-L654 WeakPolarHBondContact O-CB 3.49Å; F650-L654 PolarHBondContact O-N 3.16Å; R651-L654 PolarHBondContact O-N 2.87Å; L654-K657 PolarHBondContact O-N 3.24Å; L654-V658 HydrophobicContact CD1-CG2 4.34Å; L654-V658 WeakPolarHBondContact O-CB 3.35Å; L654-V658 VanDerWaalsContact O-CG2 3.22Å; L654-V658 WeakPolarHBondContact O-CG2 3.3Å; L654-V658 PolarHBondContact O-N 2.83Å
655	L	95.8	Very high	92.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.1	-38.7	176.6	-65.4	177.2	0	0	0	111.9	L515 T545 Y547 I552 F554 R651 V658 V659	L515-L655 HydrophobicContact CD1-CD2 3.74Å; L515-L655 HydrophobicContact CD1-CG 4.43Å; T545-L655 HydrophobicContact CG2-CD1 3.97Å; T545-L655 HydrophobicContact CG2-CD2 3.84Å; Y547-L655 HydrophobicContact CD1-CB 4.17Å; Y547-L655 HydrophobicContact CD2-CB 3.9Å; Y547-L655 HydrophobicContact CD2-CD1 4.07Å; Y547-L655 HydrophobicContact CE2-CB 4.41Å; Y547-L655 HydrophobicContact CG-CB 3.79Å; Y547-L655 HydrophobicContact CG-CD1 4.29Å; I552-L655 HydrophobicContact CD1-CD2 4.06Å; F554-L655 HydrophobicContact CZ-CD2 3.9Å; R651-L655 HydrophobicContact CG-CD1 3.79Å; R651-L655 HydrophobicContact CG-CG 4.37Å; R651-L655 VanDerWaalsContact CZ-CD1 3.47Å; R651-L655 VanDerWaalsContact O-CG 3.3Å; R651-L655 WeakPolarHBondContact O-CG 3.44Å; R651-L655 PolarHBondContact O-N 3.17Å; L655-V658 PolarHBondContact O-N 2.7Å; L655-V659 WeakPolarHBondContact O-CG2 3.42Å; L655-V659 PolarHBondContact O-N 2.9Å
656	A	93.9	Very high	92.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-47	171.6	0	0	0	0	0	112	Y352 Y547 P636 D652 Y653 V658 V659 N660	Y352-A656 HydrophobicContact CD2-CB 4.24Å; Y352-A656 HydrophobicContact CG-CB 4.05Å; Y547-A656 HydrophobicContact CE1-CB 4.07Å; P636-A656 HydrophobicContact CG-CB 4.42Å; D652-A656 VanDerWaalsContact O-CB 3.3Å; D652-A656 WeakPolarHBondContact O-CB 3.33Å; D652-A656 PolarHBondContact O-N 2.64Å; Y653-A656 PolarHBondContact O-N 3.14Å; A656-V658 VanDerWaalsContact C-N 3.31Å; A656-V658 PolarHBondContact O-N 2.94Å; A656-V659 PolarHBondContact O-N 3.06Å; A656-N660 VanDerWaalsContact O-CB 3.31Å; A656-N660 WeakPolarHBondContact O-CB 3.22Å; A656-N660 VanDerWaalsContact O-CG 3.25Å; A656-N660 PolarHBondContact O-N 3.43Å; A656-N660 PolarHBondContact O-ND2 2.89Å
657	K	95.4	Very high	92.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.4	-39.1	178.4	-168.1	70.9	172.7	178.6	0	111.8	E304 I607 F634 P636 Y653 L654 A661	E304-K657 IonicContact OE2-NZ 2.77Å; E304-K657 PolarHBondContact OE2-NZ 3.37Å; I607-K657 HydrophobicContact CD1-CG 4.09Å; F634-K657 HydrophobicContact CD2-CD 3.93Å; F634-K657 HydrophobicContact CE2-CD 3.75Å; F634-K657 HydrophobicContact CE2-CG 4.08Å; F634-K657 PolarHBondContact O-NZ 3.17Å; P636-K657 HydrophobicContact CG-CB 4.36Å; P636-K657 VanDerWaalsContact O-CD 3.28Å; P636-K657 WeakPolarHBondContact O-CD 3.37Å; P636-K657 PolarHBondContact O-NZ 2.88Å; Y653-K657 WeakPolarHBondContact O-CB 3.44Å; Y653-K657 PolarHBondContact O-N 2.97Å; L654-K657 PolarHBondContact O-N 3.24Å; K657-A661 VanDerWaalsContact O-CB 3.23Å; K657-A661 WeakPolarHBondContact O-CB 3.46Å; K657-A661 PolarHBondContact O-N 3.1Å
658	V	96.8	Very high	92.7	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-66.3	-46.5	175.7	166.2	0	0	0	0	112.5	V483 V581 I583 I607 L654 L655 A656 A661 E662	V483-V658 HydrophobicContact CB-CG1 4.42Å; V483-V658 HydrophobicContact CG1-CG1 3.97Å; V483-V658 HydrophobicContact CG2-CG1 3.53Å; V581-V658 HydrophobicContact CG1-CG1 4.43Å; V581-V658 HydrophobicContact CG1-CG2 4.47Å; I583-V658 HydrophobicContact CD1-CG2 4.12Å; I583-V658 HydrophobicContact CG1-CG2 4.27Å; I607-V658 HydrophobicContact CD1-CG2 3.66Å; L654-V658 HydrophobicContact CD1-CG2 4.34Å; L654-V658 WeakPolarHBondContact O-CB 3.35Å; L654-V658 VanDerWaalsContact O-CG2 3.22Å; L654-V658 WeakPolarHBondContact O-CG2 3.3Å; L654-V658 PolarHBondContact O-N 2.83Å; L655-V658 PolarHBondContact O-N 2.7Å; A656-V658 VanDerWaalsContact C-N 3.31Å; A656-V658 PolarHBondContact O-N 2.94Å; V658-A661 WeakPolarHBondContact O-CB 3.19Å; V658-A661 PolarHBondContact O-N 3.23Å; V658-E662 PolarHBondContact O-N 3.48Å
659	V	95.3	Very high	92.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66	-43	178.3	172.2	0	0	0	0	110.9	I354 Y550 I552 L655 A656 A661 E662 N663	I354-V659 HydrophobicContact CD1-CB 4.39Å; I354-V659 HydrophobicContact CD1-CG1 4Å; I354-V659 HydrophobicContact CG2-CG1 4.2Å; Y550-V659 HydrophobicContact CD1-CG1 4.14Å; Y550-V659 HydrophobicContact CD1-CG2 4.44Å; Y550-V659 HydrophobicContact CD2-CG1 4.06Å; Y550-V659 HydrophobicContact CD2-CG2 4.44Å; Y550-V659 HydrophobicContact CE1-CG1 3.79Å; Y550-V659 HydrophobicContact CE2-CG1 3.71Å; Y550-V659 HydrophobicContact CG-CG1 4.27Å; Y550-V659 HydrophobicContact CG-CG2 4.22Å; I552-V659 HydrophobicContact CD1-CG2 3.98Å; L655-V659 WeakPolarHBondContact O-CG2 3.42Å; L655-V659 PolarHBondContact O-N 2.9Å; A656-V659 PolarHBondContact O-N 3.06Å; V659-A661 VanDerWaalsContact C-N 3.34Å; V659-A661 PolarHBondContact O-N 3.11Å; V659-E662 PolarHBondContact O-N 3.07Å; V659-N663 VanDerWaalsContact O-CG 3.22Å; V659-N663 PolarHBondContact O-N 3.34Å; V659-N663 PolarHBondContact O-OD1 3.25Å
660	N	94.9	Very high	92.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.5	-33.8	178.6	-69.5	-13.7	0	0	0	112.2	F353 I354 E355 F634 G635 A656 N663 A664	F353-N660 PolarHBondContact O-ND2 3.45Å; F353-N660 VanDerWaalsContact O-ND2 3.09Å; I354-N660 VanDerWaalsContact CA-OD1 3.31Å; I354-N660 WeakPolarHBondContact CA-OD1 3.39Å; E355-N660 PolarHBondContact N-OD1 3.43Å; F634-N660 HydrophobicContact CB-CB 4.2Å; F634-N660 HydrophobicContact CD2-CB 4.27Å; G635-N660 WeakPolarHBondContact O-CB 3.45Å; G635-N660 PolarHBondContact O-ND2 3.32Å; A656-N660 VanDerWaalsContact O-CB 3.31Å; A656-N660 WeakPolarHBondContact O-CB 3.22Å; A656-N660 VanDerWaalsContact O-CG 3.25Å; A656-N660 PolarHBondContact O-N 3.43Å; A656-N660 PolarHBondContact O-ND2 2.89Å; N660-N663 PolarHBondContact O-N 3.43Å; N660-A664 VanDerWaalsContact O-CB 3.24Å; N660-A664 WeakPolarHBondContact O-CB 3.21Å; N660-A664 PolarHBondContact O-N 2.95Å
661	A	95.6	Very high	92	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.1	-45.3	171	0	0	0	0	0	112.6	V581 V605 F634 K657 V658 V659 A664 A665	V581-A661 HydrophobicContact CG1-CB 4.18Å; V581-A661 HydrophobicContact CG2-CB 3.7Å; V605-A661 HydrophobicContact CB-CB 4.45Å; V605-A661 HydrophobicContact CG1-CB 4.01Å; V605-A661 HydrophobicContact CG2-CB 4.43Å; F634-A661 HydrophobicContact CD2-CB 4.07Å; F634-A661 HydrophobicContact CE1-CB 4.04Å; F634-A661 HydrophobicContact CE2-CB 3.48Å; F634-A661 VanDerWaalsContact CE2-CB 3.48Å; F634-A661 HydrophobicContact CZ-CB 3.48Å; F634-A661 VanDerWaalsContact CZ-CB 3.48Å; K657-A661 VanDerWaalsContact O-CB 3.23Å; K657-A661 WeakPolarHBondContact O-CB 3.46Å; K657-A661 PolarHBondContact O-N 3.1Å; V658-A661 WeakPolarHBondContact O-CB 3.19Å; V658-A661 PolarHBondContact O-N 3.23Å; V659-A661 VanDerWaalsContact C-N 3.34Å; V659-A661 PolarHBondContact O-N 3.11Å; A661-A664 PolarHBondContact O-N 2.95Å; A661-A665 WeakPolarHBondContact O-CB 3.42Å; A661-A665 PolarHBondContact O-N 3.28Å
662	E	94.2	Very high	91.6	Very high	11 Å²	11	19.3 Å²	19.3	5%	0.051	9%	0.086	C	C	.	.	H	α-helix	trans	-71.8	-40.6	179.3	-154.3	176.4	127.9	0	0	111.3	R481 I580 V581 V658 V659 A664 A665 E666	R481-E662 WeakPolarHBondContact CD-OE1 3.02Å; R481-E662 WeakPolarHBondContact CD-OE2 3.49Å; R481-E662 IonicContact CZ-OE1 3.31Å; R481-E662 IonicContact NE-OE1 2.78Å; R481-E662 IonicContact NH1-OE1 2.93Å; R481-E662 PolarHBondContact NH1-OE1 3.15Å; I580-E662 HydrophobicContact CB-CG 4.25Å; I580-E662 HydrophobicContact CD1-CG 4.08Å; I580-E662 HydrophobicContact CG2-CG 4.37Å; V581-E662 HydrophobicContact CG2-CB 3.98Å; V581-E662 HydrophobicContact CG2-CG 4.46Å; V658-E662 PolarHBondContact O-N 3.48Å; V659-E662 PolarHBondContact O-N 3.07Å; E662-A664 VanDerWaalsContact C-N 3.27Å; E662-A664 PolarHBondContact O-N 3.1Å; E662-A665 PolarHBondContact O-N 2.86Å; E662-E666 WeakPolarHBondContact O-CG 3.46Å; E662-E666 PolarHBondContact O-N 2.88Å
663	N	93.2	Very high	91.3	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.011	9%	0.09	C	C	.	.	H	α-helix	trans	-60.6	-35.2	173.4	-64.7	-8.7	0	0	0	112.4	I354 E355 H356 R481 V659 N660 K667	I354-N663 WeakPolarHBondContact CG2-ND2 3.02Å; E355-N663 WeakPolarHBondContact O-CB 3.31Å; E355-N663 PolarHBondContact O-ND2 2.96Å; H356-N663 HydrophobicContact CB-CB 3.84Å; R481-N663 PolarHBondContact NH2-OD1 2.83Å; V659-N663 VanDerWaalsContact O-CG 3.22Å; V659-N663 PolarHBondContact O-N 3.34Å; V659-N663 PolarHBondContact O-OD1 3.25Å; N660-N663 PolarHBondContact O-N 3.43Å; N663-K667 PolarHBondContact O-NZ 2.83Å
664	A	93.1	Very high	90.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-74	-39.6	174.5	0	0	0	0	0	111.9	I631 P632 F634 N660 A661 E662 E666 K667	I631-A664 HydrophobicContact CG2-CB 3.83Å; P632-A664 HydrophobicContact CG-CB 4.1Å; F634-A664 HydrophobicContact CB-CB 3.93Å; F634-A664 HydrophobicContact CD1-CB 3.69Å; F634-A664 HydrophobicContact CG-CB 4.11Å; N660-A664 VanDerWaalsContact O-CB 3.24Å; N660-A664 WeakPolarHBondContact O-CB 3.21Å; N660-A664 PolarHBondContact O-N 2.95Å; A661-A664 PolarHBondContact O-N 2.95Å; E662-A664 VanDerWaalsContact C-N 3.27Å; E662-A664 PolarHBondContact O-N 3.1Å; A664-E666 VanDerWaalsContact C-N 3.27Å; A664-E666 PolarHBondContact O-N 3.16Å; A664-K667 VanDerWaalsContact O-CB 3.25Å; A664-K667 WeakPolarHBondContact O-CB 3.48Å; A664-K667 WeakPolarHBondContact O-CG 3.47Å; A664-K667 PolarHBondContact O-N 2.79Å
665	A	92.5	Very high	90.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.3	-32	175.4	0	0	0	0	0	112.7	I580 I631 A661 E662 K667 S668 F671	I580-A665 HydrophobicContact CG2-CB 3.42Å; I580-A665 VanDerWaalsContact CG2-CB 3.42Å; I631-A665 HydrophobicContact CD1-CB 3.78Å; A661-A665 WeakPolarHBondContact O-CB 3.42Å; A661-A665 PolarHBondContact O-N 3.28Å; E662-A665 PolarHBondContact O-N 2.86Å; A665-K667 PolarHBondContact O-N 3.34Å; A665-K667 VanDerWaalsContact O-N 3.07Å; A665-S668 WeakPolarHBondContact O-CB 3.49Å; A665-S668 PolarHBondContact O-N 2.91Å; A665-S668 VanDerWaalsContact O-N 3.08Å; A665-F671 WeakPolarHBondContact O-CD2 3.33Å
666	E	89.1	Confident	90.2	Very high	49 Å²	49	24 Å²	24	23%	0.229	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.4	170.6	-72.3	170.9	-169.1	0	0	114	R481 E662 A664	R481-E666 IonicContact CZ-OE1 2.8Å; R481-E666 VanDerWaalsContact CZ-OE1 3.23Å; R481-E666 IonicContact NH1-OE1 2.76Å; R481-E666 PolarHBondContact NH1-OE1 3.43Å; R481-E666 IonicContact NH2-OE1 3.32Å; R481-E666 PolarHBondContact NH2-OE1 2.89Å; R481-E666 IonicContact NH2-OE2 3.44Å; E662-E666 WeakPolarHBondContact O-CG 3.46Å; E662-E666 PolarHBondContact O-N 2.88Å; A664-E666 VanDerWaalsContact C-N 3.27Å; A664-E666 PolarHBondContact O-N 3.16Å
667	K	87.3	Confident	89.9	Confident	83 Å²	83	30.3 Å²	30.3	36%	0.361	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-16.9	176.3	-46.8	-57.9	177.7	-82.1	0	113.4	H356 P632 N663 A664 A665	H356-K667 WeakPolarHBondContact O-CE 3.49Å; H356-K667 PolarHBondContact O-NZ 2.91Å; P632-K667 HydrophobicContact CG-CB 4.5Å; N663-K667 PolarHBondContact O-NZ 2.83Å; A664-K667 VanDerWaalsContact O-CB 3.25Å; A664-K667 WeakPolarHBondContact O-CB 3.48Å; A664-K667 WeakPolarHBondContact O-CG 3.47Å; A664-K667 PolarHBondContact O-N 2.79Å; A665-K667 PolarHBondContact O-N 3.34Å; A665-K667 VanDerWaalsContact O-N 3.07Å
668	S	88	Confident	89.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-57.5	146.6	175	143.6	0	0	0	0	110.9	D630 A665 K670 F671 R672	D630-S668 WeakPolarHBondContact OD2-CB 3.38Å; D630-S668 PolarHBondContact OD2-OG 3.43Å; A665-S668 WeakPolarHBondContact O-CB 3.49Å; A665-S668 PolarHBondContact O-N 2.91Å; A665-S668 VanDerWaalsContact O-N 3.08Å; S668-K670 PolarHBondContact O-N 3.19Å; S668-K670 PolarHBondContact OG-N 2.83Å; S668-F671 PolarHBondContact O-N 2.99Å; S668-R672 WeakPolarHBondContact O-CB 3.44Å; S668-R672 PolarHBondContact O-N 3.23Å
669	E	84.6	Confident	89.4	Confident	76 Å²	76	33.6 Å²	33.6	36%	0.355	16%	0.161	S	C	.	.	H	α-helix	trans	-58.5	-35.5	-177.2	178.9	167.9	-140.2	0	0	112.1	K241 S673	K241-E669 IonicContact NZ-OE1 2.76Å; K241-E669 PolarHBondContact NZ-OE1 2.89Å; E669-S673 VanDerWaalsContact O-CB 3.22Å; E669-S673 WeakPolarHBondContact O-CB 3.31Å; E669-S673 PolarHBondContact O-N 3.27Å; E669-S673 PolarHBondContact O-OG 3.17Å
670	K	83.7	Confident	89.3	Confident	41 Å²	41	36.3 Å²	36.3	18%	0.178	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-53.5	178.8	-172.2	-163.4	-170	127.7	0	111.3	S246 H601 H604 S668 S673 M674	S246-K670 PolarHBondContact O-NZ 2.91Å; S246-K670 WeakPolarHBondContact OG-CD 3.32Å; S246-K670 WeakPolarHBondContact OG-CE 3Å; S246-K670 PolarHBondContact OG-NZ 3.42Å; H601-K670 WeakPolarHBondContact O-CE 3.49Å; H601-K670 PolarHBondContact O-NZ 3.46Å; H604-K670 WeakPolarHBondContact NE2-CD 3.45Å; S668-K670 PolarHBondContact O-N 3.19Å; S668-K670 PolarHBondContact OG-N 2.83Å; K670-S673 PolarHBondContact O-N 3.33Å; K670-M674 HydrophobicContact CG-CE 4.27Å; K670-M674 WeakPolarHBondContact O-CG 3.14Å; K670-M674 PolarHBondContact O-N 3.3Å; K670-M674 VanDerWaalsContact O-N 3.15Å
671	F	84.9	Confident	89.1	Confident	23 Å²	23	40.6 Å²	40.6	10%	0.101	19%	0.193	C	C	.	.	H	α-helix	trans	-70.4	-40.2	-177.2	-66.1	-81.4	0	0	0	111.3	I580 H604 A665 S668 S673 M674 A675	I580-F671 HydrophobicContact CD1-CD1 4.17Å; I580-F671 HydrophobicContact CD1-CE1 3.56Å; I580-F671 HydrophobicContact CD1-CZ 3.99Å; I580-F671 HydrophobicContact CG1-CE1 3.86Å; I580-F671 HydrophobicContact CG1-CZ 3.9Å; I580-F671 HydrophobicContact CG2-CE2 4.46Å; I580-F671 HydrophobicContact CG2-CZ 4.09Å; H604-F671 AromaticContact CE1-CE2 3.48Å; H604-F671 VanDerWaalsContact CE1-CE2 3.48Å; H604-F671 WeakPolarHBondContact CE1-CE2 3.34Å; H604-F671 AromaticContact CE1-CZ 3.57Å; H604-F671 AromaticContact CG-CE2 3.91Å; H604-F671 AromaticContact ND1-CE2 3.51Å; H604-F671 AromaticContact ND1-CZ 3.56Å; H604-F671 AromaticContact NE2-CE2 3.87Å; A665-F671 WeakPolarHBondContact O-CD2 3.33Å; S668-F671 PolarHBondContact O-N 2.99Å; F671-S673 PolarHBondContact O-N 3.04Å; F671-M674 HydrophobicContact CD1-CE 3.53Å; F671-M674 HydrophobicContact CE1-CE 3.94Å; F671-M674 HydrophobicContact CG-CE 4.16Å; F671-M674 PolarHBondContact O-N 3.4Å; F671-A675 WeakPolarHBondContact O-CB 3.28Å; F671-A675 PolarHBondContact O-N 3.31Å
672	R	84.9	Confident	89	Confident	72 Å²	72	45.6 Å²	45.6	27%	0.272	21%	0.213	S	C	.	.	H	α-helix	trans	-56	-47.6	171.5	-171.7	175.3	73	96.8	-4	111.7	E413 M414 S668 M674 A675 T676	E413-R672 IonicContact OE1-NH1 3.4Å; E413-R672 PolarHBondContact OE1-NH1 2.7Å; E413-R672 IonicContact OE2-NH1 3.91Å; E413-R672 PolarHBondContact OE2-NH1 3.07Å; M414-R672 HydrophobicContact CG-CG 4.41Å; S668-R672 WeakPolarHBondContact O-CB 3.44Å; S668-R672 PolarHBondContact O-N 3.23Å; R672-M674 PolarHBondContact O-N 3.12Å; R672-A675 PolarHBondContact O-N 3.48Å; R672-T676 VanDerWaalsContact O-CB 3.3Å; R672-T676 WeakPolarHBondContact O-CB 3.33Å; R672-T676 PolarHBondContact O-N 2.97Å; R672-T676 PolarHBondContact O-OG1 2.96Å; R672-T676 VanDerWaalsContact O-OG1 3.13Å
673	S	85.4	Confident	89	Confident	42 Å²	42	45.2 Å²	45.2	29%	0.294	21%	0.211	S	C	.	.	H	α-helix	trans	-63.9	-38.1	-179.1	-61.4	0	0	0	0	113	E669 K670 F671 R677	E669-S673 VanDerWaalsContact O-CB 3.22Å; E669-S673 WeakPolarHBondContact O-CB 3.31Å; E669-S673 PolarHBondContact O-N 3.27Å; E669-S673 PolarHBondContact O-OG 3.17Å; K670-S673 PolarHBondContact O-N 3.33Å; F671-S673 PolarHBondContact O-N 3.04Å; S673-R677 PolarHBondContact O-N 2.78Å
674	M	84.9	Confident	89.1	Confident	78 Å²	78	48.8 Å²	48.8	38%	0.384	23%	0.227	S	C	.	.	H	α-helix	trans	-66.3	-46.5	173.7	-68.2	-173.2	-63.9	0	0	111.4	K670 F671 R672 R677 T678	K670-M674 HydrophobicContact CG-CE 4.27Å; K670-M674 WeakPolarHBondContact O-CG 3.14Å; K670-M674 PolarHBondContact O-N 3.3Å; K670-M674 VanDerWaalsContact O-N 3.15Å; F671-M674 HydrophobicContact CD1-CE 3.53Å; F671-M674 HydrophobicContact CE1-CE 3.94Å; F671-M674 HydrophobicContact CG-CE 4.16Å; F671-M674 PolarHBondContact O-N 3.4Å; R672-M674 PolarHBondContact O-N 3.12Å; M674-R677 PolarHBondContact O-N 3.42Å; M674-T678 PolarHBondContact O-N 3.27Å
675	A	88.1	Confident	89.2	Confident	23 Å²	23	51.3 Å²	51.3	19%	0.19	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-43.7	179.9	0	0	0	0	0	112.5	M414 Q475 F671 R672 R677 T678 R679	M414-A675 HydrophobicContact CE-CB 3.85Å; M414-A675 HydrophobicContact CG-CB 4.19Å; M414-A675 HydrophobicContact SD-CB 3.56Å; M414-A675 VanDerWaalsContact SD-CB 3.56Å; Q475-A675 PolarHBondContact NE2-O 2.84Å; F671-A675 WeakPolarHBondContact O-CB 3.28Å; F671-A675 PolarHBondContact O-N 3.31Å; R672-A675 PolarHBondContact O-N 3.48Å; A675-R677 VanDerWaalsContact C-N 3.32Å; A675-R677 PolarHBondContact O-N 3.16Å; A675-T678 PolarHBondContact O-N 2.86Å; A675-R679 WeakPolarHBondContact O-CB 3.42Å; A675-R679 PolarHBondContact O-N 3.41Å
676	T	89.1	Confident	89.3	Confident	4 Å²	4	51.3 Å²	51.3	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-56	-41.1	173.2	-74	0	0	0	0	112	I238 T412 R672 R679 Q680	I238-T676 HydrophobicContact CD1-CG2 3.68Å; T412-T676 WeakPolarHBondContact O-CG2 3.26Å; R672-T676 VanDerWaalsContact O-CB 3.3Å; R672-T676 WeakPolarHBondContact O-CB 3.33Å; R672-T676 PolarHBondContact O-N 2.97Å; R672-T676 PolarHBondContact O-OG1 2.96Å; R672-T676 VanDerWaalsContact O-OG1 3.13Å; T676-R679 PolarHBondContact O-N 2.92Å; T676-Q680 WeakPolarHBondContact O-CB 3.22Å; T676-Q680 PolarHBondContact O-N 2.85Å
677	R	87	Confident	89.5	Confident	131 Å²	131	49.6 Å²	49.6	49%	0.494	23%	0.234	S	C	.	.	H	α-helix	trans	-64.6	-46.3	176.2	-172.4	-178.3	-64.6	157.3	1.9	112	S673 M674 A675 R679 Q680 E681	S673-R677 PolarHBondContact O-N 2.78Å; M674-R677 PolarHBondContact O-N 3.42Å; A675-R677 VanDerWaalsContact C-N 3.32Å; A675-R677 PolarHBondContact O-N 3.16Å; R677-R679 VanDerWaalsContact C-N 3.33Å; R677-R679 PolarHBondContact O-N 2.96Å; R677-Q680 PolarHBondContact O-N 3.41Å; R677-E681 PolarHBondContact O-N 3.48Å
678	T	89.7	Confident	89.8	Confident	68 Å²	68	50.5 Å²	50.5	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-40.2	175.7	-61.7	0	0	0	0	111.9	M674 A675 E681 Y682	M674-T678 PolarHBondContact O-N 3.27Å; A675-T678 PolarHBondContact O-N 2.86Å; T678-E681 PolarHBondContact O-N 3.07Å; T678-Y682 HydrophobicContact CG2-CD2 3.96Å; T678-Y682 HydrophobicContact CG2-CE2 3.59Å; T678-Y682 WeakPolarHBondContact O-CD2 3.46Å; T678-Y682 PolarHBondContact O-N 3.39Å
679	R	92.4	Very high	90.1	Very high	3 Å²	3	56 Å²	56	1%	0.011	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-42.8	176	-177.2	172.3	-167.1	75.5	-1.6	112.1	T411 T412 E413 M414 T416 L472 D473 A675 T676 R677 Y682 L683	T411-R679 PolarHBondContact O-NE 2.73Å; T411-R679 VanDerWaalsContact O-NE 3.15Å; T412-R679 WeakPolarHBondContact O-CD 3.18Å; E413-R679 WeakPolarHBondContact O-CD 3.14Å; E413-R679 PolarHBondContact O-NE 2.76Å; M414-R679 HydrophobicContact SD-CB 4.24Å; T416-R679 PolarHBondContact OG1-NH2 3.01Å; L472-R679 PolarHBondContact O-NH1 3.35Å; D473-R679 IonicContact OD1-NH2 3.51Å; A675-R679 WeakPolarHBondContact O-CB 3.42Å; A675-R679 PolarHBondContact O-N 3.41Å; T676-R679 PolarHBondContact O-N 2.92Å; R677-R679 VanDerWaalsContact C-N 3.33Å; R677-R679 PolarHBondContact O-N 2.96Å; R679-Y682 PolarHBondContact O-N 3.14Å; R679-L683 HydrophobicContact CG-CD1 4.19Å; R679-L683 WeakPolarHBondContact O-CG 3.23Å; R679-L683 PolarHBondContact O-N 2.96Å
680	Q	92.1	Very high	90.5	Very high	56 Å²	56	54.6 Å²	54.6	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-57.7	-49.3	176.5	178	-175.5	-69.4	0	0	112	P385 T412 T676 R677 Y682 L683 K684	P385-Q680 HydrophobicContact CG-CG 4.25Å; T412-Q680 HydrophobicContact CG2-CB 3.88Å; T412-Q680 HydrophobicContact CG2-CG 3.81Å; T676-Q680 WeakPolarHBondContact O-CB 3.22Å; T676-Q680 PolarHBondContact O-N 2.85Å; R677-Q680 PolarHBondContact O-N 3.41Å; Q680-Y682 PolarHBondContact O-N 3.44Å; Q680-L683 PolarHBondContact O-N 3.01Å; Q680-K684 WeakPolarHBondContact O-CB 3.12Å; Q680-K684 PolarHBondContact O-N 3.25Å
681	E	91.9	Very high	90.9	Very high	90 Å²	90	54.9 Å²	54.9	42%	0.421	27%	0.266	S	S	.	.	H	α-helix	trans	-67.4	-36	-177.8	-62	-50	125.8	0	0	112.2	R677 T678 K684 D685	R677-E681 PolarHBondContact O-N 3.48Å; T678-E681 PolarHBondContact O-N 3.07Å; E681-K684 PolarHBondContact O-N 3.11Å; E681-D685 PolarHBondContact O-N 3.33Å
682	Y	93.2	Very high	91.2	Very high	106 Å²	106	55.8 Å²	55.8	42%	0.416	27%	0.274	S	S	.	.	H	α-helix	trans	-65.8	-38.8	171.9	-73.9	-50.3	0	0	0	113.2	T468 T678 R679 Q680 K684 L686	T468-Y682 HydrophobicContact CG2-CD1 4.43Å; T678-Y682 HydrophobicContact CG2-CD2 3.96Å; T678-Y682 HydrophobicContact CG2-CE2 3.59Å; T678-Y682 WeakPolarHBondContact O-CD2 3.46Å; T678-Y682 PolarHBondContact O-N 3.39Å; R679-Y682 PolarHBondContact O-N 3.14Å; Q680-Y682 PolarHBondContact O-N 3.44Å; Y682-K684 VanDerWaalsContact C-N 3.34Å; Y682-L686 WeakPolarHBondContact O-CG 3.23Å; Y682-L686 PolarHBondContact O-N 2.96Å; Y682-L686 VanDerWaalsContact O-N 3.15Å
683	L	95.1	Very high	91.3	Very high	2 Å²	2	59 Å²	59	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-67.5	-36.3	174.7	-71.7	173.6	0	0	0	111.9	P385 A387 R410 T411 L472 R679 Q680 L686 A687	P385-L683 HydrophobicContact CB-CB 3.85Å; P385-L683 HydrophobicContact CG-CB 3.93Å; A387-L683 HydrophobicContact CB-CD2 3.62Å; R410-L683 HydrophobicContact CB-CD2 4.27Å; T411-L683 WeakPolarHBondContact O-CD1 3.43Å; L472-L683 HydrophobicContact CD1-CD2 3.64Å; L472-L683 HydrophobicContact CD1-CG 3.84Å; L472-L683 HydrophobicContact CD2-CD2 4.39Å; R679-L683 HydrophobicContact CG-CD1 4.19Å; R679-L683 WeakPolarHBondContact O-CG 3.23Å; R679-L683 PolarHBondContact O-N 2.96Å; Q680-L683 PolarHBondContact O-N 3.01Å; L683-L686 PolarHBondContact O-N 2.87Å; L683-A687 WeakPolarHBondContact O-CB 3.48Å; L683-A687 PolarHBondContact O-N 2.93Å
684	K	94.5	Very high	91.5	Very high	78 Å²	78	59.4 Å²	59.4	34%	0.339	30%	0.302	S	S	.	.	H	α-helix	trans	-65.6	-49.6	176.6	-175.7	-174.9	166.6	-163.2	0	111.5	P385 Q680 E681 Y682 L686 A687 E688	P385-K684 HydrophobicContact CB-CB 4.42Å; P385-K684 HydrophobicContact CG-CB 4.36Å; Q680-K684 WeakPolarHBondContact O-CB 3.12Å; Q680-K684 PolarHBondContact O-N 3.25Å; E681-K684 PolarHBondContact O-N 3.11Å; Y682-K684 VanDerWaalsContact C-N 3.34Å; K684-L686 VanDerWaalsContact C-N 3.3Å; K684-L686 PolarHBondContact O-N 3.32Å; K684-A687 PolarHBondContact O-N 3.28Å; K684-A687 VanDerWaalsContact O-N 3.08Å; K684-E688 VanDerWaalsContact CE-CD 3.44Å; K684-E688 WeakPolarHBondContact CE-OE1 3.46Å; K684-E688 WeakPolarHBondContact CE-OE2 3.31Å; K684-E688 VanDerWaalsContact CG-CD 3.5Å; K684-E688 HydrophobicContact CG-CG 4.26Å; K684-E688 WeakPolarHBondContact CG-OE1 3.41Å; K684-E688 WeakPolarHBondContact O-CB 3.37Å; K684-E688 WeakPolarHBondContact O-CG 3.43Å; K684-E688 PolarHBondContact O-N 2.92Å
685	D	94.5	Very high	91.7	Very high	52 Å²	52	58.3 Å²	58.3	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-54.8	-45	173.9	174.6	52.5	0	0	0	111.7	E681 A687 N689 Y690	E681-D685 PolarHBondContact O-N 3.33Å; D685-A687 PolarHBondContact O-N 2.91Å; D685-N689 WeakPolarHBondContact O-CB 3.24Å; D685-N689 PolarHBondContact O-N 3.11Å; D685-N689 PolarHBondContact OD1-ND2 2.54Å; D685-Y690 WeakPolarHBondContact OD2-CE2 3.4Å
686	L	95.2	Very high	91.4	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-42.3	175.4	-73.7	173.3	0	0	0	112.9	F377 V465 T468 L469 L472 Y682 L683 K684 Y690	F377-L686 HydrophobicContact CD2-CB 4.07Å; F377-L686 VanDerWaalsContact CD2-O 3.23Å; F377-L686 WeakPolarHBondContact CD2-O 3.45Å; F377-L686 HydrophobicContact CE2-CB 4.06Å; F377-L686 HydrophobicContact CE2-CD2 4.06Å; F377-L686 HydrophobicContact CG-CB 4.43Å; F377-L686 HydrophobicContact CZ-CB 4.45Å; F377-L686 HydrophobicContact CZ-CD2 4.27Å; V465-L686 HydrophobicContact CB-CD2 4.49Å; V465-L686 HydrophobicContact CG1-CD2 4.21Å; V465-L686 HydrophobicContact CG2-CD2 4.32Å; T468-L686 HydrophobicContact CG2-CD1 4.1Å; T468-L686 HydrophobicContact CG2-CD2 4.17Å; T468-L686 HydrophobicContact CG2-CG 4.17Å; L469-L686 HydrophobicContact CD2-CD1 3.74Å; L469-L686 HydrophobicContact CG-CD1 4.21Å; L472-L686 HydrophobicContact CD1-CD1 4.33Å; Y682-L686 WeakPolarHBondContact O-CG 3.23Å; Y682-L686 PolarHBondContact O-N 2.96Å; Y682-L686 VanDerWaalsContact O-N 3.15Å; L683-L686 PolarHBondContact O-N 2.87Å; K684-L686 VanDerWaalsContact C-N 3.3Å; K684-L686 PolarHBondContact O-N 3.32Å; L686-Y690 HydrophobicContact CD2-CD2 4.25Å; L686-Y690 HydrophobicContact CD2-CG 4.45Å; L686-Y690 PolarHBondContact O-N 3.37Å
687	A	94.1	Very high	90.4	Very high	12 Å²	12	60.5 Å²	60.5	10%	0.099	31%	0.309	C	S	.	.	H	α-helix	trans	-74.3	-31.1	-179	0	0	0	0	0	113.9	F377 I379 L683 K684 D685 V691	F377-A687 HydrophobicContact CB-CB 4.31Å; I379-A687 HydrophobicContact CG1-CB 4.07Å; L683-A687 WeakPolarHBondContact O-CB 3.48Å; L683-A687 PolarHBondContact O-N 2.93Å; K684-A687 PolarHBondContact O-N 3.28Å; K684-A687 VanDerWaalsContact O-N 3.08Å; D685-A687 PolarHBondContact O-N 2.91Å; A687-V691 VanDerWaalsContact O-CG2 3.23Å; A687-V691 WeakPolarHBondContact O-CG2 3.48Å
688	E	92.5	Very high	88.9	Confident	103 Å²	103	57.6 Å²	57.6	48%	0.481	31%	0.309	S	S	.	.	H	α-helix	trans	-90.1	-48.5	-178.4	-68.1	175.9	175.7	0	0	111.9	I379 K684	I379-E688 HydrophobicContact CD1-CG 4.22Å; K684-E688 VanDerWaalsContact CE-CD 3.44Å; K684-E688 WeakPolarHBondContact CE-OE1 3.46Å; K684-E688 WeakPolarHBondContact CE-OE2 3.31Å; K684-E688 VanDerWaalsContact CG-CD 3.5Å; K684-E688 HydrophobicContact CG-CG 4.26Å; K684-E688 WeakPolarHBondContact CG-OE1 3.41Å; K684-E688 WeakPolarHBondContact O-CB 3.37Å; K684-E688 WeakPolarHBondContact O-CG 3.43Å; K684-E688 PolarHBondContact O-N 2.92Å
689	N	93.6	Very high	87.1	Confident	116 Å²	116	58.3 Å²	58.3	62%	0.62	32%	0.317	S	S	*	.	H	α-helix	trans	-98.6	-18.9	-168.5	-65.2	-46.1	0	0	0	115.2	D685	D685-N689 WeakPolarHBondContact O-CB 3.24Å; D685-N689 PolarHBondContact O-N 3.11Å; D685-N689 PolarHBondContact OD1-ND2 2.54Å
690	Y	93.3	Very high	84.8	Confident	45 Å²	45	63 Å²	63	18%	0.176	35%	0.346	C	S	.	.	S	Bend	trans	-117.1	14.4	-171.3	-67.1	-84	0	0	0	115	S460 K464 V465 D685 L686	S460-Y690 WeakPolarHBondContact CB-O 3.35Å; S460-Y690 PolarHBondContact N-O 3.48Å; S460-Y690 PolarHBondContact OG-O 2.88Å; K464-Y690 HydrophobicContact CB-CE1 4.08Å; K464-Y690 HydrophobicContact CD-CE1 4.07Å; K464-Y690 WeakPolarHBondContact CD-OH 3.43Å; V465-Y690 HydrophobicContact CG2-CD1 3.51Å; V465-Y690 HydrophobicContact CG2-CE1 4.43Å; V465-Y690 HydrophobicContact CG2-CG 3.7Å; D685-Y690 WeakPolarHBondContact OD2-CE2 3.4Å; L686-Y690 HydrophobicContact CD2-CD2 4.25Å; L686-Y690 HydrophobicContact CD2-CG 4.45Å; L686-Y690 PolarHBondContact O-N 3.37Å
691	V	92.4	Very high	82.4	Confident	48 Å²	48	69 Å²	69	29%	0.291	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	147.6	-178.8	155.3	0	0	0	0	113	F377 R457 A687	F377-V691 HydrophobicContact CB-CG2 3.75Å; F377-V691 HydrophobicContact CD2-CG2 4.11Å; F377-V691 HydrophobicContact CG-CG2 4.43Å; R457-V691 HydrophobicContact CB-CG1 3.45Å; R457-V691 VanDerWaalsContact CB-CG1 3.45Å; R457-V691 HydrophobicContact CB-CG2 4.42Å; R457-V691 HydrophobicContact CG-CG1 3.81Å; A687-V691 VanDerWaalsContact O-CG2 3.23Å; A687-V691 WeakPolarHBondContact O-CG2 3.48Å
692	T	91.1	Very high	80	Confident	42 Å²	42	73 Å²	73	26%	0.258	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	163.1	167.3	75.4	0	0	0	0	111.7	R457 L458 T694	R457-T692 WeakPolarHBondContact CB-O 3.38Å; L458-T692 WeakPolarHBondContact O-CB 3.44Å; L458-T692 WeakPolarHBondContact O-CG2 3.48Å; L458-T692 PolarHBondContact O-N 2.89Å; L458-T692 PolarHBondContact O-OG1 2.97Å; T692-T694 PolarHBondContact O-N 2.98Å; T692-T694 WeakPolarHBondContact OG1-CB 3.34Å; T692-T694 PolarHBondContact OG1-N 2.68Å; T692-T694 PolarHBondContact OG1-OG1 3.18Å
693	T	87.8	Confident	77.4	Confident	138 Å²	138	73.8 Å²	73.8	85%	0.847	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	-1.5	174.4	51.5	0	0	0	0	114.4	P695	T693-P695 WeakPolarHBondContact O-CD 3.1Å
694	T	89.8	Confident	75.2	Confident	51 Å²	51	80.4 Å²	80.4	31%	0.313	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	116.4	-174.9	-49.3	0	0	0	0	111.4	R457 L458 T692	R457-T694 WeakPolarHBondContact CA-O 3.46Å; L458-T694 HydrophobicContact CB-CG2 4.4Å; L458-T694 PolarHBondContact N-O 3.04Å; T692-T694 PolarHBondContact O-N 2.98Å; T692-T694 WeakPolarHBondContact OG1-CB 3.34Å; T692-T694 PolarHBondContact OG1-N 2.68Å; T692-T694 PolarHBondContact OG1-OG1 3.18Å
695	P	87.7	Confident	73.1	Confident	56 Å²	56	84.8 Å²	84.8	36%	0.364	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	161.2	173.5	33.7	-35.8	0	0	0	111.7	T693 D697 S698	T693-P695 WeakPolarHBondContact O-CD 3.1Å; P695-D697 PolarHBondContact O-N 3.17Å; P695-S698 WeakPolarHBondContact O-CB 3.1Å; P695-S698 PolarHBondContact O-N 2.93Å; P695-S698 PolarHBondContact O-OG 2.91Å; P695-S698 VanDerWaalsContact O-OG 3.1Å
696	I	83.1	Confident	70.3	Confident	11 Å²	11	88.2 Å²	88.2	6%	0.056	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.5	176.2	-161.9	168	0	0	0	114.1	F376 P440 K441 L444 L456 S698	F376-I696 HydrophobicContact CD1-CB 4.28Å; F376-I696 HydrophobicContact CD1-CD1 4.36Å; F376-I696 HydrophobicContact CD1-CG1 4.2Å; F376-I696 HydrophobicContact CE1-CB 4.14Å; F376-I696 HydrophobicContact CE1-CD1 4.44Å; F376-I696 HydrophobicContact CE1-CG1 3.89Å; F376-I696 HydrophobicContact CZ-CG1 4.24Å; P440-I696 HydrophobicContact CB-CD1 4.2Å; P440-I696 HydrophobicContact CB-CG1 4.33Å; K441-I696 HydrophobicContact CB-CD1 4.5Å; K441-I696 HydrophobicContact CB-CG1 4.22Å; K441-I696 HydrophobicContact CG-CG2 4.45Å; L444-I696 HydrophobicContact CD1-CD1 3.49Å; L444-I696 VanDerWaalsContact CD1-CD1 3.49Å; L456-I696 HydrophobicContact CD1-CD1 4.13Å; I696-S698 PolarHBondContact O-N 3.14Å
697	D	67.6	Low	67.8	Low	61 Å²	61	96.7 Å²	96.7	33%	0.326	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	5.8	178.1	-83.3	56.9	0	0	0	114.8	K441 P695 S699	K441-D697 WeakPolarHBondContact CD-OD1 3.48Å; K441-D697 WeakPolarHBondContact CE-OD1 3.4Å; K441-D697 IonicContact NZ-OD1 2.61Å; K441-D697 PolarHBondContact NZ-OD1 2.75Å; K441-D697 IonicContact NZ-OD2 2.88Å; K441-D697 PolarHBondContact NZ-OD2 3.04Å; P695-D697 PolarHBondContact O-N 3.17Å; D697-S699 PolarHBondContact O-N 3.3Å
698	S	55.4	Low	65.5	Low	70 Å²	70	99.3 Å²	99.3	49%	0.49	57%	0.567	S	S	.	*			trans	-69	17.4	-169.1	53.4	0	0	0	0	116.6	P695 I696 T700	P695-S698 WeakPolarHBondContact O-CB 3.1Å; P695-S698 PolarHBondContact O-N 2.93Å; P695-S698 PolarHBondContact O-OG 2.91Å; P695-S698 VanDerWaalsContact O-OG 3.1Å; I696-S698 PolarHBondContact O-N 3.14Å; S698-T700 PolarHBondContact O-N 3.47Å
699	S	52.3	Low	62.8	Low	84 Å²	84	100.5 Å²	100.5	59%	0.587	59%	0.587	S	S	*	*	S	Bend	trans	-66.1	105.4	166.3	63	0	0	0	0	110.1	D697 K701	D697-S699 PolarHBondContact O-N 3.3Å; S699-K701 PolarHBondContact O-N 3.24Å
700	T	43.4	Very low	60.5	Low	102 Å²	102	104.4 Å²	104.4	63%	0.626	60%	0.598	S	S	*	*			trans	-44.7	105.6	-170.5	51.2	0	0	0	0	114.9	S698 F702	S698-T700 PolarHBondContact O-N 3.47Å; T700-F702 PolarHBondContact O-N 3.42Å
701	K	41.8	Very low	58.3	Low	182 Å²	182	113.7 Å²	113.7	79%	0.791	63%	0.633	S	S	*	*			trans	-77.6	80.5	171.4	-68.6	179.7	-177	170.3	0	111.2	S699 P703	S699-K701 PolarHBondContact O-N 3.24Å; K701-P703 VanDerWaalsContact O-CD 3.25Å; K701-P703 WeakPolarHBondContact O-CD 3.14Å
702	F	41.7	Very low	55.8	Low	173 Å²	173	118.8 Å²	118.8	76%	0.759	65%	0.651	S	S	*	*			trans	-101.4	93.8	159.5	-83.7	-73.6	0	0	0	109.6	T700 L704	T700-F702 PolarHBondContact O-N 3.42Å; F702-L704 PolarHBondContact O-N 3.38Å
703	P	39.1	Very low	53.1	Low	122 Å²	122	123.5 Å²	123.5	79%	0.792	68%	0.675	S	S	*	*			trans	-79.4	63.7	-179.6	34.4	-37	0	0	0	111.8	K701 L705	K701-P703 VanDerWaalsContact O-CD 3.25Å; K701-P703 WeakPolarHBondContact O-CD 3.14Å; P703-L705 PolarHBondContact O-N 3.43Å; P703-L705 VanDerWaalsContact O-N 3.1Å
704	L	48.1	Very low	50.8	Low	142 Å²	142	126.2 Å²	126.2	74%	0.743	68%	0.675	S	S	*	*			trans	-75.8	97.6	172.2	-83.9	169.8	0	0	0	110.8	F702 S706	F702-L704 PolarHBondContact O-N 3.38Å; L704-S706 PolarHBondContact O-N 2.88Å; L704-S706 VanDerWaalsContact O-N 3.14Å
705	L	49.7	Very low	48.6	Very low	169 Å²	169	129.3 Å²	129.3	89%	0.885	69%	0.687	S	S	*	*			trans	23.5	74.6	153.5	-59.4	177.9	0	0	0	116.9	P703	P703-L705 PolarHBondContact O-N 3.43Å; P703-L705 VanDerWaalsContact O-N 3.1Å
706	S	36.8	Very low	46.8	Very low	124 Å²	124	134.8 Å²	134.8	87%	0.867	71%	0.705	S	S	*	*			trans	-94.8	91.4	166	-68.8	0	0	0	0	110.6	L704 G708	L704-S706 PolarHBondContact O-N 2.88Å; L704-S706 VanDerWaalsContact O-N 3.14Å; S706-G708 PolarHBondContact O-N 3.34Å
707	L	42.3	Very low	45.5	Very low	179 Å²	179	134.9 Å²	134.9	94%	0.937	71%	0.709	S	S	*	*			trans	-79.9	103.2	-176	-164.1	77.6	0	0	0	111.9
708	G	45.1	Very low	45.2	Very low	68 Å²	68	134.5 Å²	134.5	70%	0.701	71%	0.714	S	S	*	*			trans	73	100.3	156.2	0	0	0	0	0	118.1	S706	S706-G708 PolarHBondContact O-N 3.34Å
709	S	36.9	Very low	45.6	Very low	127 Å²	127	139.6 Å²	139.6	89%	0.888	73%	0.728	S	S	*	*			trans	-151.2	167.4	146.6	-108.8	0	0	0	0	114.4
710	K	45.8	Very low	46.6	Very low	199 Å²	199	136.5 Å²	136.5	87%	0.865	71%	0.709	S	S	*	*			trans	-68.1	172.9	-156.6	-65.3	173.3	-179	172.6	0	114.6	K712	K710-K712 PolarHBondContact O-N 3.48Å
711	R	47.3	Very low	48.3	Very low	240 Å²	240	132.1 Å²	132.1	91%	0.906	68%	0.683	S	S	*	*			trans	-38.1	124.8	179.4	-65.4	179.9	-176.6	170.3	1.6	111.9	D713	R711-D713 PolarHBondContact O-N 3.48Å
712	K	38.2	Very low	50.3	Low	154 Å²	154	124.4 Å²	124.4	67%	0.67	65%	0.649	S	S	*	*			trans	-88.4	98.8	179.9	-173.4	-179.9	-172.3	-174.6	0	109.3	A429 K710 K714	A429-K712 WeakPolarHBondContact O-CE 3.48Å; A429-K712 PolarHBondContact O-NZ 3.04Å; K710-K712 PolarHBondContact O-N 3.48Å; K712-K714 PolarHBondContact O-N 3.27Å
713	D	35.8	Very low	52.3	Low	142 Å²	142	116.6 Å²	116.6	76%	0.759	62%	0.616	S	S	*	*			trans	-60.4	135.7	170.3	-77.5	-53.2	0	0	0	110.2	R711 M715	R711-D713 PolarHBondContact O-N 3.48Å; D713-M715 PolarHBondContact O-N 3.35Å
714	K	39.5	Very low	54.5	Low	194 Å²	194	116.1 Å²	116.1	84%	0.843	60%	0.603	S	S	*	*			trans	-75.8	101	169	-69.4	-176	178.1	-174.8	0	107	K712 K716	K712-K714 PolarHBondContact O-N 3.27Å; K714-K716 PolarHBondContact O-N 2.98Å
715	M	43.3	Very low	56.5	Low	117 Å²	117	109.6 Å²	109.6	58%	0.576	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-57.4	122.7	164.1	-75.4	172.5	61.2	0	0	107.8	D713	D713-M715 PolarHBondContact O-N 3.35Å
716	K	49.9	Very low	58.3	Low	171 Å²	171	103.2 Å²	103.2	74%	0.743	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-72.1	142.6	171	-161.8	167.3	-176.7	168.7	0	107	K714	K714-K716 PolarHBondContact O-N 2.98Å
717	G	55.1	Low	61	Low	13 Å²	13	97.3 Å²	97.3	13%	0.134	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-54.9	156.5	173.4	0	0	0	0	0	111.1	K719	G717-K719 PolarHBondContact O-N 3.26Å
718	A	60.7	Low	63.4	Low	53 Å²	53	88.8 Å²	88.8	44%	0.438	45%	0.454	S	S	.	.			trans	-68.1	99	-179.5	0	0	0	0	0	109.3	E424 G720 A721	E424-A718 PolarHBondContact O-N 3.4Å; E424-A718 VanDerWaalsContact O-N 3.17Å; A718-G720 PolarHBondContact O-N 3.15Å; A718-A721 HydrophobicContact CB-CB 4.2Å; A718-A721 WeakPolarHBondContact O-CB 3.45Å; A718-A721 PolarHBondContact O-N 2.99Å
719	K	63.8	Low	65.7	Low	177 Å²	177	85.5 Å²	85.5	77%	0.77	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	126.1	176.7	-87.1	-170.9	151.3	-140.2	0	110.1	G717	G717-K719 PolarHBondContact O-N 3.26Å
720	G	74.2	Confident	68.4	Low	18 Å²	18	79.8 Å²	79.8	19%	0.186	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	1.4	179.4	0	0	0	0	0	114.8	A718 E722 L723 H724	A718-G720 PolarHBondContact O-N 3.15Å; G720-E722 VanDerWaalsContact C-N 3.34Å; G720-E722 WeakPolarHBondContact CA-OE1 3.35Å; G720-E722 PolarHBondContact N-OE1 3.3Å; G720-L723 WeakPolarHBondContact O-CB 3.42Å; G720-L723 PolarHBondContact O-N 2.77Å; G720-H724 PolarHBondContact O-ND1 3.13Å
721	A	79.7	Confident	70.6	Confident	10 Å²	10	70.8 Å²	70.8	8%	0.083	34%	0.341	C	S	.	.	S	Bend	trans	-61.7	-46	172.7	0	0	0	0	0	110.5	L422 E424 A718 L723 H724	L422-A721 VanDerWaalsContact CD1-O 3.23Å; L422-A721 WeakPolarHBondContact CD1-O 3.44Å; E424-A721 HydrophobicContact CB-CB 4.02Å; A718-A721 HydrophobicContact CB-CB 4.2Å; A718-A721 WeakPolarHBondContact O-CB 3.45Å; A718-A721 PolarHBondContact O-N 2.99Å; A721-L723 PolarHBondContact O-N 2.81Å; A721-H724 WeakPolarHBondContact O-CB 3.39Å; A721-H724 PolarHBondContact O-N 2.88Å
722	E	82.5	Confident	72.5	Confident	20 Å²	20	61.1 Å²	61.1	9%	0.093	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-47.7	-38.7	171.9	49.4	-76.4	169.5	0	0	113.8	N215 S425 G720 H724 S725	N215-E722 HydrophobicContact CB-CB 4.3Å; N215-E722 PolarHBondContact ND2-OE2 3.37Å; S425-E722 VanDerWaalsContact CB-OE2 3.22Å; S425-E722 WeakPolarHBondContact CB-OE2 3.48Å; G720-E722 VanDerWaalsContact C-N 3.34Å; G720-E722 WeakPolarHBondContact CA-OE1 3.35Å; G720-E722 PolarHBondContact N-OE1 3.3Å; E722-H724 PolarHBondContact O-N 3.44Å; E722-H724 VanDerWaalsContact O-N 3.1Å; E722-S725 VanDerWaalsContact O-CB 3.26Å; E722-S725 WeakPolarHBondContact O-CB 3.17Å; E722-S725 PolarHBondContact O-N 2.9Å; E722-S725 VanDerWaalsContact O-N 3.07Å; E722-S725 PolarHBondContact O-OG 3.47Å
723	L	85.2	Confident	75	Confident	9 Å²	9	54 Å²	54	5%	0.047	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-65.4	-12.7	179.9	-57.1	175.5	0	0	0	114.2	G720 A721 L729 E819 Q822 R823 L826	G720-L723 WeakPolarHBondContact O-CB 3.42Å; G720-L723 PolarHBondContact O-N 2.77Å; A721-L723 PolarHBondContact O-N 2.81Å; L723-L729 HydrophobicContact CD2-CD1 3.92Å; L723-E819 HydrophobicContact CD2-CG 4.23Å; L723-Q822 HydrophobicContact CD1-CB 3.99Å; L723-R823 HydrophobicContact CD2-CB 4.2Å; L723-R823 PolarHBondContact O-NH1 2.86Å; L723-L826 HydrophobicContact CB-CD1 3.67Å; L723-L826 HydrophobicContact CD1-CD1 4.36Å
724	H	85.6	Confident	77.6	Confident	112 Å²	112	50.4 Å²	50.4	52%	0.519	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-95	6.4	176.8	-63.3	73.9	0	0	0	113.2	G720 A721 E722	G720-H724 PolarHBondContact O-ND1 3.13Å; A721-H724 WeakPolarHBondContact O-CB 3.39Å; A721-H724 PolarHBondContact O-N 2.88Å; E722-H724 PolarHBondContact O-N 3.44Å; E722-H724 VanDerWaalsContact O-N 3.1Å
725	S	88.4	Confident	79.8	Confident	6 Å²	6	41.2 Å²	41.2	4%	0.042	22%	0.222	C	C	.	.			trans	-74.2	145.5	177.6	-51.7	0	0	0	0	112	A217 E722 R823	A217-S725 VanDerWaalsContact CB-CB 3.42Å; E722-S725 VanDerWaalsContact O-CB 3.26Å; E722-S725 WeakPolarHBondContact O-CB 3.17Å; E722-S725 PolarHBondContact O-N 2.9Å; E722-S725 VanDerWaalsContact O-N 3.07Å; E722-S725 PolarHBondContact O-OG 3.47Å; S725-R823 VanDerWaalsContact O-CZ 3.31Å; S725-R823 PolarHBondContact O-NH1 2.8Å; S725-R823 PolarHBondContact O-NH2 3.14Å
726	A	89.1	Confident	81.6	Confident	34 Å²	34	36.2 Å²	36.2	28%	0.281	20%	0.198	S	C	.	.	S	Bend	trans	-77.5	-39.9	-179.9	0	0	0	0	0	112.9	E337 A757	E337-A726 HydrophobicContact CG-CB 3.6Å; A726-A757 PolarHBondContact O-N 3.13Å
727	G	91.5	Very high	82.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-65	169.8	176.3	0	0	0	0	0	113.5	H218 R823	H218-G727 CarbonylContact O-C 3.5Å; H218-G727 WeakPolarHBondContact O-CA 3.49Å; G727-R823 PolarHBondContact O-NH2 3.31Å
728	A	94.1	Very high	82.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-71.8	130.9	-179.4	0	0	0	0	0	112.2	H218 I224 L336 V755	H218-A728 HydrophobicContact CB-CB 4.29Å; H218-A728 WeakPolarHBondContact CB-O 3.41Å; H218-A728 PolarHBondContact N-O 2.76Å; H218-A728 PolarHBondContact O-N 2.75Å; I224-A728 HydrophobicContact CD1-CB 3.9Å; L336-A728 HydrophobicContact CB-CB 4.36Å; L336-A728 HydrophobicContact CD1-CB 3.9Å; A728-V755 WeakPolarHBondContact CA-O 3.33Å
729	L	93.4	Very high	81.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	148.9	161.3	-57.4	-178.6	0	0	0	108.4	A217 L723 W731 G754 V755	A217-L729 HydrophobicContact CB-CD2 4.25Å; L723-L729 HydrophobicContact CD2-CD1 3.92Å; L729-W731 HydrophobicContact CB-CH2 3.46Å; L729-W731 VanDerWaalsContact CB-CH2 3.46Å; L729-W731 HydrophobicContact CB-CZ2 4.11Å; L729-W731 HydrophobicContact CB-CZ3 3.76Å; L729-W731 HydrophobicContact CD1-CH2 4.21Å; L729-W731 HydrophobicContact CG-CH2 4.47Å; L729-W731 VanDerWaalsContact O-CZ3 3.31Å; L729-W731 WeakPolarHBondContact O-CZ3 3.38Å; L729-G754 WeakPolarHBondContact O-CA 3.5Å; L729-V755 PolarHBondContact N-O 2.82Å; L729-V755 VanDerWaalsContact N-O 3.12Å; L729-V755 PolarHBondContact O-N 3.02Å
730	V	93	Very high	80.6	Confident	7 Å²	7	33.7 Å²	33.7	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131	-166.2	-179	0	0	0	0	112.2	W212 I224 L752 L753	W212-V730 HydrophobicContact CG-CG1 4.35Å; I224-V730 HydrophobicContact CB-CG2 4.39Å; I224-V730 HydrophobicContact CD1-CG2 4Å; I224-V730 HydrophobicContact CG1-CG2 3.83Å; I224-V730 HydrophobicContact CG2-CG1 3.96Å; I224-V730 HydrophobicContact CG2-CG2 3.81Å; V730-L752 HydrophobicContact CG1-CB 4.18Å; V730-L752 HydrophobicContact CG1-CD2 4.33Å; V730-L753 VanDerWaalsContact CA-O 3.29Å; V730-L753 WeakPolarHBondContact CA-O 3.46Å
731	W	91.3	Very high	78.9	Confident	9 Å²	9	36.9 Å²	36.9	3%	0.034	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.2	174	-60.8	-95.2	0	0	0	112.1	L729 L752 L753 V755 M809 E819 V820 R823	L729-W731 HydrophobicContact CB-CH2 3.46Å; L729-W731 VanDerWaalsContact CB-CH2 3.46Å; L729-W731 HydrophobicContact CB-CZ2 4.11Å; L729-W731 HydrophobicContact CB-CZ3 3.76Å; L729-W731 HydrophobicContact CD1-CH2 4.21Å; L729-W731 HydrophobicContact CG-CH2 4.47Å; L729-W731 VanDerWaalsContact O-CZ3 3.31Å; L729-W731 WeakPolarHBondContact O-CZ3 3.38Å; W731-L752 WeakPolarHBondContact O-CA 3.47Å; W731-L753 HydrophobicContact CE3-CD2 4.2Å; W731-L753 HydrophobicContact CE3-CG 4.47Å; W731-L753 PolarHBondContact N-O 3.06Å; W731-L753 PolarHBondContact O-N 3.43Å; W731-V755 HydrophobicContact CZ3-CB 4.02Å; W731-V755 HydrophobicContact CZ3-CG2 3.97Å; W731-M809 HydrophobicContact CB-CE 3.84Å; W731-M809 HydrophobicContact CG-CE 4.3Å; W731-E819 HydrophobicContact CZ2-CB 4.47Å; W731-E819 HydrophobicContact CZ2-CG 3.98Å; W731-E819 PolarHBondContact NE1-OE2 2.78Å; W731-V820 HydrophobicContact CB-CG2 4.44Å; W731-V820 HydrophobicContact CD2-CG2 3.45Å; W731-V820 VanDerWaalsContact CD2-CG2 3.45Å; W731-V820 HydrophobicContact CE3-CG2 3.78Å; W731-V820 HydrophobicContact CG-CG2 3.76Å; W731-V820 HydrophobicContact CH2-CG2 4.34Å; W731-V820 HydrophobicContact CZ2-CG2 4.09Å; W731-V820 HydrophobicContact CZ3-CG2 4.21Å; W731-R823 HydrophobicContact CH2-CB 4.02Å; W731-R823 HydrophobicContact CH2-CG 4.02Å
732	A	89.1	Confident	77.2	Confident	37 Å²	37	46.5 Å²	46.5	31%	0.306	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.9	170.6	0	0	0	0	0	110.1	R765	A732-R765 VanDerWaalsContact CB-NH2 3.28Å
733	V	90	Very high	75	Confident	6 Å²	6	50 Å²	50	4%	0.036	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.7	-178.6	-61.6	0	0	0	0	112	V735 C751 L753 L762 I807 M809	V733-V735 HydrophobicContact CG2-CG2 4.11Å; V733-C751 HydrophobicContact CG2-CB 4Å; V733-C751 PolarHBondContact N-O 3.15Å; V733-C751 PolarHBondContact O-N 3.35Å; V733-L753 HydrophobicContact CG1-CB 4.04Å; V733-L753 HydrophobicContact CG2-CB 4.02Å; V733-L762 HydrophobicContact CG2-CD2 3.71Å; V733-I807 HydrophobicContact CB-CB 4.39Å; V733-I807 HydrophobicContact CG1-CD1 4.24Å; V733-M809 HydrophobicContact CG1-CE 3.56Å; V733-M809 HydrophobicContact CG1-CG 4.2Å
734	M	89.2	Confident	73.4	Confident	66 Å²	66	53.1 Å²	53.1	33%	0.325	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	104.8	166.2	-66.2	-58.4	-59.9	0	0	108.4	K748 P750 S808	M734-K748 HydrophobicContact CE-CB 4Å; M734-P750 HydrophobicContact CE-CB 4.45Å; M734-P750 HydrophobicContact SD-CB 3.77Å; M734-S808 PolarHBondContact N-O 3.2Å; M734-S808 PolarHBondContact O-N 2.73Å; M734-S808 PolarHBondContact O-OG 2.81Å
735	V	87.7	Confident	71.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	138.9	175.5	-169.7	0	0	0	0	108.4	L313 V733 K748 F749 C751 L762 V805 I807	L313-V735 HydrophobicContact CD1-CB 4.46Å; L313-V735 HydrophobicContact CD1-CG1 3.75Å; L313-V735 HydrophobicContact CD1-CG2 4.46Å; L313-V735 HydrophobicContact CD2-CG1 3.56Å; L313-V735 HydrophobicContact CG-CG1 4.32Å; V733-V735 HydrophobicContact CG2-CG2 4.11Å; V735-K748 VanDerWaalsContact O-CA 3.26Å; V735-K748 WeakPolarHBondContact O-CA 3.24Å; V735-F749 HydrophobicContact CB-CE2 4.39Å; V735-F749 HydrophobicContact CB-CZ 4.48Å; V735-F749 PolarHBondContact N-O 2.96Å; V735-F749 VanDerWaalsContact N-O 3.09Å; V735-F749 PolarHBondContact O-N 2.88Å; V735-C751 HydrophobicContact CG2-CB 3.72Å; V735-C751 VanDerWaalsContact CG2-SG 3.52Å; V735-L762 HydrophobicContact CG2-CD1 4Å; V735-L762 HydrophobicContact CG2-CD2 3.9Å; V735-L762 HydrophobicContact CG2-CG 4.46Å; V735-V805 HydrophobicContact CG1-CG1 3.86Å; V735-I807 HydrophobicContact CG1-CG2 4.3Å; V735-I807 HydrophobicContact CG2-CG2 4.02Å
736	S	79.9	Confident	69.9	Low	12 Å²	12	61.7 Å²	61.7	8%	0.084	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.2	173.4	57.5	0	0	0	0	110.3	S806	S736-S806 PolarHBondContact N-O 2.79Å; S736-S806 VanDerWaalsContact N-O 3.12Å; S736-S806 WeakPolarHBondContact OG-CB 3.35Å; S736-S806 PolarHBondContact OG-O 2.86Å
737	C	64.8	Low	68.8	Low	30 Å²	30	66.2 Å²	66.2	20%	0.203	37%	0.367	C	S	.	.			trans	-66	158.7	159.1	-85.1	0	0	0	0	109.8	Q746 Q747	C737-Q746 WeakPolarHBondContact O-CG 3.36Å; C737-Q746 PolarHBondContact O-NE2 3.27Å; C737-Q747 PolarHBondContact N-O 2.9Å; C737-Q747 VanDerWaalsContact N-O 3.09Å
738	R	55.2	Low	68.2	Low	136 Å²	136	71.2 Å²	71.2	51%	0.513	39%	0.389	S	S	.	.			trans	-137.5	96.5	161	177.9	179.1	172.8	-170.5	-6.3	105.6	G881 H882	R738-G881 PolarHBondContact NH1-O 3.48Å; R738-H882 PolarHBondContact NH2-CE1 2.89Å
739	D	44.6	Very low	67.7	Low	99 Å²	99	72.7 Å²	72.7	53%	0.529	40%	0.395	S	S	.	.			trans	-72.4	142.2	173.1	-52.7	-21.3	0	0	0	107.4	S741	D739-S741 PolarHBondContact O-N 2.8Å
740	D	44.8	Very low	67.5	Low	96 Å²	96	75.3 Å²	75.3	51%	0.513	41%	0.412	S	S	.	.	S	Bend	trans	-76.9	13.7	-174.3	-72.2	-55.2	0	0	0	112.9	H886	D740-H886 IonicContact OD2-ND1 2.67Å; D740-H886 PolarHBondContact OD2-ND1 3.32Å
741	S	38.3	Very low	67.5	Low	86 Å²	86	75 Å²	75	60%	0.601	41%	0.41	S	S	*	.			trans	-70.3	126.2	174.9	-62.7	0	0	0	0	112.4	D739 A743	D739-S741 PolarHBondContact O-N 2.8Å; S741-A743 PolarHBondContact O-N 2.97Å; S741-A743 VanDerWaalsContact O-N 3.07Å
742	E	42.9	Very low	67.5	Low	212 Å²	212	75 Å²	75	99%	0.991	41%	0.411	S	S	*	.	S	Bend	trans	-69.7	-5.1	-175	-61.5	-168.5	124.6	0	0	115.4
743	A	37.8	Very low	67.7	Low	92 Å²	92	73.2 Å²	73.2	76%	0.76	40%	0.396	S	S	*	.	S	Bend	trans	-111.8	108.8	172	0	0	0	0	0	109.4	S741	S741-A743 PolarHBondContact O-N 2.97Å; S741-A743 VanDerWaalsContact O-N 3.07Å
744	G	50	Low	67.9	Low	75 Å²	75	73 Å²	73	77%	0.773	40%	0.395	S	S	*	.			trans	-98.1	134.6	-163.2	0	0	0	0	0	116.1
745	E	43.4	Very low	68.2	Low	190 Å²	190	69.8 Å²	69.8	89%	0.888	38%	0.379	S	S	*	.			trans	-127.4	131.9	135	-92.8	-170.4	175.4	0	0	108.3	Q747	E745-Q747 PolarHBondContact O-N 3.38Å; E745-Q747 VanDerWaalsContact O-N 3.07Å
746	Q	56.8	Low	68.5	Low	108 Å²	108	69.9 Å²	69.9	51%	0.505	38%	0.38	S	S	.	.			trans	-81.3	91.1	178.3	174.2	144.7	68.1	0	0	109.7	C737 K748	C737-Q746 WeakPolarHBondContact O-CG 3.36Å; C737-Q746 PolarHBondContact O-NE2 3.27Å; Q746-K748 HydrophobicContact CG-CG 4.44Å; Q746-K748 PolarHBondContact O-N 2.94Å; Q746-K748 VanDerWaalsContact O-N 3.12Å
747	Q	66.9	Low	69.1	Low	129 Å²	129	71 Å²	71	60%	0.603	39%	0.39	S	S	*	.			trans	-60.9	116.9	-179.4	-163	178.2	22.6	0	0	110.7	C737 E745	C737-Q747 PolarHBondContact N-O 2.9Å; C737-Q747 VanDerWaalsContact N-O 3.09Å; E745-Q747 PolarHBondContact O-N 3.38Å; E745-Q747 VanDerWaalsContact O-N 3.07Å
748	K	78.9	Confident	70.3	Confident	105 Å²	105	71.4 Å²	71.4	46%	0.457	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.3	176.4	-67	-169.4	179.5	-165.3	0	110.4	M734 V735 Q746 S808	M734-K748 HydrophobicContact CE-CB 4Å; V735-K748 VanDerWaalsContact O-CA 3.26Å; V735-K748 WeakPolarHBondContact O-CA 3.24Å; Q746-K748 HydrophobicContact CG-CG 4.44Å; Q746-K748 PolarHBondContact O-N 2.94Å; Q746-K748 VanDerWaalsContact O-N 3.12Å; K748-S808 PolarHBondContact NZ-OG 3.44Å
749	F	84.4	Confident	72	Confident	32 Å²	32	65.3 Å²	65.3	14%	0.14	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.3	-179.4	53.1	-87.3	0	0	0	112.6	L313 V735 C751 E764 V771	L313-F749 HydrophobicContact CD1-CE2 4.34Å; L313-F749 HydrophobicContact CD1-CZ 4.19Å; L313-F749 HydrophobicContact CD2-CE1 4.44Å; L313-F749 HydrophobicContact CD2-CZ 3.78Å; L313-F749 HydrophobicContact CG-CZ 4.02Å; V735-F749 HydrophobicContact CB-CE2 4.39Å; V735-F749 HydrophobicContact CB-CZ 4.48Å; V735-F749 PolarHBondContact N-O 2.96Å; V735-F749 VanDerWaalsContact N-O 3.09Å; V735-F749 PolarHBondContact O-N 2.88Å; F749-C751 VanDerWaalsContact CD2-SG 3.53Å; F749-E764 HydrophobicContact CD2-CG 4.12Å; F749-V771 HydrophobicContact CE2-CG2 4.39Å
750	P	89.4	Confident	74.4	Confident	55 Å²	55	60.6 Å²	60.6	36%	0.357	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.6	-173.2	30.8	-34.6	0	0	0	111.5	M734 R765	M734-P750 HydrophobicContact CE-CB 4.45Å; M734-P750 HydrophobicContact SD-CB 3.77Å; P750-R765 HydrophobicContact CB-CG 4.46Å; P750-R765 HydrophobicContact CG-CB 4.41Å; P750-R765 WeakPolarHBondContact O-CB 3.41Å; P750-R765 PolarHBondContact O-N 3.06Å
751	C	91.2	Very high	76.7	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	170.2	179.1	-63.9	0	0	0	0	112.3	V733 V735 F749 L762 I763	V733-C751 HydrophobicContact CG2-CB 4Å; V733-C751 PolarHBondContact N-O 3.15Å; V733-C751 PolarHBondContact O-N 3.35Å; V735-C751 HydrophobicContact CG2-CB 3.72Å; V735-C751 VanDerWaalsContact CG2-SG 3.52Å; F749-C751 VanDerWaalsContact CD2-SG 3.53Å; C751-L762 HydrophobicContact CB-CD2 4.29Å; C751-I763 CarbonylContact C-O 3.54Å; C751-I763 WeakPolarHBondContact CA-O 3.18Å; C751-I763 WeakPolarHBondContact CB-O 3.43Å
752	L	92.3	Very high	79.3	Confident	8 Å²	8	52.1 Å²	52.1	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.7	162.6	-58.9	175.7	0	0	0	108	W212 I224 V730 W731 L762 I763 R765	W212-L752 HydrophobicContact CZ2-CD1 3.95Å; I224-L752 HydrophobicContact CG2-CB 4.19Å; I224-L752 HydrophobicContact CG2-CD1 3.94Å; I224-L752 VanDerWaalsContact O-CD1 3.31Å; I224-L752 WeakPolarHBondContact O-CD1 3.35Å; V730-L752 HydrophobicContact CG1-CB 4.18Å; V730-L752 HydrophobicContact CG1-CD2 4.33Å; W731-L752 WeakPolarHBondContact O-CA 3.47Å; L752-L762 WeakPolarHBondContact O-CA 3.23Å; L752-I763 PolarHBondContact N-O 3.17Å; L752-I763 PolarHBondContact O-N 2.85Å; L752-R765 HydrophobicContact CG-CG 4.26Å
753	L	93.8	Very high	81.6	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.5	169.8	173.8	72.3	0	0	0	108.6	V730 W731 V733 V755 V760 L762 I807 V820	V730-L753 VanDerWaalsContact CA-O 3.29Å; V730-L753 WeakPolarHBondContact CA-O 3.46Å; W731-L753 HydrophobicContact CE3-CD2 4.2Å; W731-L753 HydrophobicContact CE3-CG 4.47Å; W731-L753 PolarHBondContact N-O 3.06Å; W731-L753 PolarHBondContact O-N 3.43Å; V733-L753 HydrophobicContact CG1-CB 4.04Å; V733-L753 HydrophobicContact CG2-CB 4.02Å; L753-V755 HydrophobicContact CD1-CG2 4.17Å; L753-V755 HydrophobicContact CD2-CG2 4.16Å; L753-V755 HydrophobicContact CG-CG2 3.99Å; L753-V760 HydrophobicContact CD1-CG1 3.9Å; L753-L762 HydrophobicContact CB-CD2 3.87Å; L753-L762 HydrophobicContact CD1-CD2 3.78Å; L753-L762 HydrophobicContact CD1-CG 4.22Å; L753-L762 HydrophobicContact CG-CD2 4.45Å; L753-I807 HydrophobicContact CD1-CD1 4.43Å; L753-I807 HydrophobicContact CD2-CD1 3.78Å; L753-V820 HydrophobicContact CD2-CG1 3.73Å; L753-V820 HydrophobicContact CD2-CG2 3.94Å
754	G	94.2	Very high	84	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.6	170.4	0	0	0	0	0	111.3	L729 V760 V761	L729-G754 WeakPolarHBondContact O-CA 3.5Å; G754-V760 WeakPolarHBondContact O-CA 3.39Å; G754-V761 PolarHBondContact N-O 2.88Å; G754-V761 PolarHBondContact O-N 3.01Å
755	V	95.1	Very high	85.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	104.3	175.2	-173.3	0	0	0	0	111	A728 L729 W731 L753 V760 R823 L824 V827	A728-V755 WeakPolarHBondContact CA-O 3.33Å; L729-V755 PolarHBondContact N-O 2.82Å; L729-V755 VanDerWaalsContact N-O 3.12Å; L729-V755 PolarHBondContact O-N 3.02Å; W731-V755 HydrophobicContact CZ3-CB 4.02Å; W731-V755 HydrophobicContact CZ3-CG2 3.97Å; L753-V755 HydrophobicContact CD1-CG2 4.17Å; L753-V755 HydrophobicContact CD2-CG2 4.16Å; L753-V755 HydrophobicContact CG-CG2 3.99Å; V755-V760 HydrophobicContact CG1-CG2 4.27Å; V755-V760 HydrophobicContact CG2-CG1 4.44Å; V755-V760 HydrophobicContact CG2-CG2 4.49Å; V755-R823 HydrophobicContact CB-CG 3.92Å; V755-R823 HydrophobicContact CG1-CG 3.59Å; V755-R823 PolarHBondContact O-NE 3.38Å; V755-R823 PolarHBondContact O-NH2 3.19Å; V755-L824 HydrophobicContact CG1-CD2 4.24Å; V755-V827 HydrophobicContact CG1-CG2 3.91Å
756	S	94.8	Very high	87.5	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.007	18%	0.182	C	C	.	.			trans	-92.5	-177.5	173	85.4	0	0	0	0	111.9	L336 E758 S759 C776	L336-S756 WeakPolarHBondContact O-CB 3.3Å; L336-S756 PolarHBondContact O-OG 2.76Å; S756-E758 PolarHBondContact O-N 3.42Å; S756-E758 PolarHBondContact OG-N 2.87Å; S756-E758 VanDerWaalsContact OG-N 3.09Å; S756-S759 PolarHBondContact N-O 3.36Å; S756-S759 PolarHBondContact OG-N 2.89Å; S756-S759 PolarHBondContact OG-O 3.23Å; S756-C776 PolarHBondContact O-SG 3.14Å; S756-C776 VanDerWaalsContact O-SG 3.34Å
757	A	91.6	Very high	88.6	Confident	36 Å²	36	31.7 Å²	31.7	30%	0.298	18%	0.177	S	C	.	.	S	Bend	trans	-67.1	-21.7	171	0	0	0	0	0	113.8	A726	A726-A757 PolarHBondContact O-N 3.13Å
758	E	90.1	Very high	89.5	Confident	38 Å²	38	30.7 Å²	30.7	18%	0.178	17%	0.168	C	C	.	.	S	Bend	trans	-122.7	-19.3	-170	-70.3	-73.2	164.4	0	0	114.1	P339 S756 S775 C776 R777	P339-E758 HydrophobicContact CB-CG 4.45Å; P339-E758 HydrophobicContact CG-CG 4.16Å; S756-E758 PolarHBondContact O-N 3.42Å; S756-E758 PolarHBondContact OG-N 2.87Å; S756-E758 VanDerWaalsContact OG-N 3.09Å; E758-S775 WeakPolarHBondContact O-CA 3.42Å; E758-S775 PolarHBondContact O-OG 2.99Å; E758-S775 VanDerWaalsContact O-OG 3.07Å; E758-C776 PolarHBondContact O-N 2.96Å; E758-R777 IonicContact OE1-NH2 3.41Å; E758-R777 PolarHBondContact OE1-NH2 2.73Å; E758-R777 IonicContact OE2-CZ 2.71Å; E758-R777 IonicContact OE2-NE 3.52Å; E758-R777 PolarHBondContact OE2-NE 2.7Å; E758-R777 IonicContact OE2-NH2 3.51Å; E758-R777 PolarHBondContact OE2-NH2 3.26Å
759	S	91.8	Very high	89.7	Confident	8 Å²	8	29.3 Å²	29.3	6%	0.056	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	149.5	176.6	-71.6	0	0	0	0	114.8	R340 S756 C774 C776	R340-S759 PolarHBondContact NE-OG 3.27Å; R340-S759 PolarHBondContact NH2-OG 2.76Å; S756-S759 PolarHBondContact N-O 3.36Å; S756-S759 PolarHBondContact OG-N 2.89Å; S756-S759 PolarHBondContact OG-O 3.23Å; S759-C774 CarbonylContact C-O 3.58Å; S759-C774 VanDerWaalsContact CA-O 3.28Å; S759-C774 WeakPolarHBondContact CA-O 3.38Å; S759-C774 WeakPolarHBondContact CB-O 3.41Å; S759-C774 PolarHBondContact OG-O 3.2Å; S759-C776 VanDerWaalsContact C-SG 3.51Å; S759-C776 PolarHBondContact N-SG 2.77Å
760	V	93.3	Very high	90	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.8	167.1	-179.8	0	0	0	0	108	L753 G754 V755 F772 N773 C774 V779 L824	L753-V760 HydrophobicContact CD1-CG1 3.9Å; G754-V760 WeakPolarHBondContact O-CA 3.39Å; V755-V760 HydrophobicContact CG1-CG2 4.27Å; V755-V760 HydrophobicContact CG2-CG1 4.44Å; V755-V760 HydrophobicContact CG2-CG2 4.49Å; V760-F772 HydrophobicContact CG1-CE1 4.31Å; V760-N773 WeakPolarHBondContact O-CA 3.41Å; V760-C774 PolarHBondContact N-O 2.98Å; V760-C774 PolarHBondContact O-N 3.33Å; V760-V779 HydrophobicContact CG2-CG2 4.17Å; V760-L824 HydrophobicContact CG2-CD2 4.17Å
761	V	93.6	Very high	90	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.3	177.2	-66	0	0	0	0	111.5	V333 L336 G754 I763 F772 N773	V333-V761 HydrophobicContact CG1-CG1 4.03Å; L336-V761 HydrophobicContact CD1-CG2 4.25Å; L336-V761 HydrophobicContact CD2-CG1 3.92Å; L336-V761 HydrophobicContact CD2-CG2 4.35Å; G754-V761 PolarHBondContact N-O 2.88Å; G754-V761 PolarHBondContact O-N 3.01Å; V761-I763 HydrophobicContact CG2-CD1 4.49Å; V761-F772 WeakPolarHBondContact CA-O 3.4Å; V761-N773 HydrophobicContact CG1-CB 4.14Å
762	L	92.8	Very high	89.9	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.7	162.8	-66.7	156.2	0	0	0	108.9	L313 V733 V735 C751 L752 L753 V770 V771 F772 V805 I807	L313-L762 HydrophobicContact CD1-CB 4.39Å; L313-L762 HydrophobicContact CD1-CD1 3.9Å; V733-L762 HydrophobicContact CG2-CD2 3.71Å; V735-L762 HydrophobicContact CG2-CD1 4Å; V735-L762 HydrophobicContact CG2-CD2 3.9Å; V735-L762 HydrophobicContact CG2-CG 4.46Å; C751-L762 HydrophobicContact CB-CD2 4.29Å; L752-L762 WeakPolarHBondContact O-CA 3.23Å; L753-L762 HydrophobicContact CB-CD2 3.87Å; L753-L762 HydrophobicContact CD1-CD2 3.78Å; L753-L762 HydrophobicContact CD1-CG 4.22Å; L753-L762 HydrophobicContact CG-CD2 4.45Å; L762-V770 WeakPolarHBondContact O-CA 3.32Å; L762-V771 HydrophobicContact CB-CG2 4.01Å; L762-V771 WeakPolarHBondContact O-CG2 3.38Å; L762-V771 PolarHBondContact O-N 3.06Å; L762-F772 HydrophobicContact CB-CB 3.95Å; L762-F772 HydrophobicContact CD1-CB 4.01Å; L762-F772 HydrophobicContact CD1-CD1 4.13Å; L762-F772 HydrophobicContact CD1-CG 4.31Å; L762-F772 HydrophobicContact CG-CB 4.35Å; L762-F772 HydrophobicContact CG-CD1 4.44Å; L762-F772 PolarHBondContact N-O 3.43Å; L762-F772 PolarHBondContact O-N 3.06Å; L762-V805 HydrophobicContact CD1-CG1 3.66Å; L762-I807 HydrophobicContact CD1-CG2 4.18Å; L762-I807 HydrophobicContact CD2-CG2 4.33Å
763	I	91.4	Very high	89.8	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.5	179.6	-60.2	160.9	0	0	0	107.4	V221 I224 L225 C751 L752 V761 R769 V770	V221-I763 HydrophobicContact CG1-CD1 3.95Å; V221-I763 HydrophobicContact CG1-CG1 4.47Å; I224-I763 HydrophobicContact CB-CD1 3.95Å; I224-I763 HydrophobicContact CD1-CD1 4.29Å; I224-I763 HydrophobicContact CG2-CD1 3.72Å; L225-I763 HydrophobicContact CD1-CG2 4.29Å; L225-I763 HydrophobicContact CD2-CG2 3.63Å; L225-I763 HydrophobicContact CG-CG2 4.11Å; C751-I763 CarbonylContact C-O 3.54Å; C751-I763 WeakPolarHBondContact CA-O 3.18Å; C751-I763 WeakPolarHBondContact CB-O 3.43Å; L752-I763 PolarHBondContact N-O 3.17Å; L752-I763 PolarHBondContact O-N 2.85Å; V761-I763 HydrophobicContact CG2-CD1 4.49Å; I763-R769 WeakPolarHBondContact CA-O 3.37Å; I763-V770 HydrophobicContact CG1-CG2 4.17Å
764	E	89.3	Confident	89.6	Confident	53 Å²	53	26.4 Å²	26.4	25%	0.248	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	133.8	178.6	-176.5	-168.6	-167.9	0	0	110.2	F749 G766 S767 R768 R769 V771	F749-E764 HydrophobicContact CD2-CG 4.12Å; E764-G766 PolarHBondContact O-N 2.81Å; E764-S767 WeakPolarHBondContact OE2-CB 3.39Å; E764-S767 PolarHBondContact OE2-OG 2.83Å; E764-R768 WeakPolarHBondContact O-CA 3.36Å; E764-R768 PolarHBondContact O-N 2.89Å; E764-R769 PolarHBondContact N-O 2.81Å; E764-V771 HydrophobicContact CB-CG1 3.81Å; E764-V771 HydrophobicContact CB-CG2 4.24Å
765	R	84.5	Confident	89.4	Confident	76 Å²	76	27 Å²	27	29%	0.287	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-32.5	-179	-69.2	-167.3	179.3	-160.4	-4.8	113.6	A732 P750 L752 R768	A732-R765 VanDerWaalsContact CB-NH2 3.28Å; P750-R765 HydrophobicContact CB-CG 4.46Å; P750-R765 HydrophobicContact CG-CB 4.41Å; P750-R765 WeakPolarHBondContact O-CB 3.41Å; P750-R765 PolarHBondContact O-N 3.06Å; L752-R765 HydrophobicContact CG-CG 4.26Å; R765-R768 WeakPolarHBondContact O-CG 3.46Å
766	G	80.9	Confident	89.2	Confident	60 Å²	60	27.1 Å²	27.1	62%	0.619	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-68.6	-179	0	0	0	0	0	112.3	E764 R768	E764-G766 PolarHBondContact O-N 2.81Å; G766-R768 PolarHBondContact O-N 3.47Å
767	S	80.4	Confident	89	Confident	57 Å²	57	31.2 Å²	31.2	40%	0.399	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.2	178.5	70	0	0	0	0	114.2	E764 R769	E764-S767 WeakPolarHBondContact OE2-CB 3.39Å; E764-S767 PolarHBondContact OE2-OG 2.83Å; S767-R769 PolarHBondContact O-N 2.9Å; S767-R769 PolarHBondContact OG-N 3.43Å
768	R	84.9	Confident	88.9	Confident	108 Å²	108	30 Å²	30	41%	0.408	15%	0.153	S	C	.	.			trans	60.3	23.1	-175.5	-58.5	163.9	171.2	-165.7	-6.1	113.6	L225 E230 E764 R765 G766	L225-R768 VanDerWaalsContact CD1-O 3.23Å; L225-R768 WeakPolarHBondContact CD1-O 3.48Å; L225-R768 HydrophobicContact CD2-CB 3.83Å; L225-R768 HydrophobicContact CD2-CG 4.21Å; E230-R768 IonicContact OE1-CZ 3.29Å; E230-R768 IonicContact OE1-NH1 3.64Å; E230-R768 PolarHBondContact OE1-NH1 2.91Å; E230-R768 IonicContact OE1-NH2 2.63Å; E230-R768 PolarHBondContact OE1-NH2 2.85Å; E230-R768 IonicContact OE2-CZ 3.36Å; E230-R768 IonicContact OE2-NH1 3.9Å; E230-R768 PolarHBondContact OE2-NH1 2.95Å; E230-R768 IonicContact OE2-NH2 3.44Å; E230-R768 PolarHBondContact OE2-NH2 2.92Å; E764-R768 WeakPolarHBondContact O-CA 3.36Å; E764-R768 PolarHBondContact O-N 2.89Å; R765-R768 WeakPolarHBondContact O-CG 3.46Å; G766-R768 PolarHBondContact O-N 3.47Å
769	R	84.8	Confident	89	Confident	76 Å²	76	28.5 Å²	28.5	29%	0.287	15%	0.146	S	C	.	.	S	Bend	trans	-102.5	155.8	176.4	-69.1	175.3	70.2	-165.7	3.4	111.5	D331 I763 E764 S767 V771	D331-R769 IonicContact OD1-CZ 3.91Å; D331-R769 IonicContact OD1-NE 2.89Å; D331-R769 PolarHBondContact OD1-NE 3.3Å; D331-R769 IonicContact OD1-NH2 3.31Å; D331-R769 PolarHBondContact OD1-NH2 3.31Å; D331-R769 IonicContact OD2-CZ 3.42Å; D331-R769 IonicContact OD2-NH2 3.3Å; D331-R769 PolarHBondContact OD2-NH2 2.85Å; I763-R769 WeakPolarHBondContact CA-O 3.37Å; E764-R769 PolarHBondContact N-O 2.81Å; S767-R769 PolarHBondContact O-N 2.9Å; S767-R769 PolarHBondContact OG-N 3.43Å; R769-V771 PolarHBondContact O-N 2.73Å
770	V	89.8	Confident	89	Confident	11 Å²	11	28.4 Å²	28.4	7%	0.067	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	121.4	167.2	-179.8	0	0	0	0	107.4	V221 N330 L762 I763 F772 N773	V221-V770 HydrophobicContact CG1-CG2 3.84Å; V221-V770 HydrophobicContact CG2-CG2 4.21Å; N330-V770 HydrophobicContact CB-CB 4.04Å; N330-V770 HydrophobicContact CB-CG1 3.89Å; N330-V770 VanDerWaalsContact CB-O 3.27Å; N330-V770 WeakPolarHBondContact CB-O 3.3Å; N330-V770 PolarHBondContact ND2-O 2.91Å; L762-V770 WeakPolarHBondContact O-CA 3.32Å; I763-V770 HydrophobicContact CG1-CG2 4.17Å; V770-F772 VanDerWaalsContact CG1-O 3.28Å; V770-F772 WeakPolarHBondContact CG1-O 3.49Å; V770-N773 HydrophobicContact CG1-CB 4.41Å
771	V	88.6	Confident	89	Confident	14 Å²	14	28.3 Å²	28.3	9%	0.085	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-16.1	177	-75	0	0	0	0	112.2	G312 L313 N330 F749 L762 E764 R769	G312-V771 WeakPolarHBondContact CA-O 3.48Å; L313-V771 HydrophobicContact CD1-CB 4.1Å; L313-V771 HydrophobicContact CD1-CG2 3.71Å; L313-V771 PolarHBondContact N-O 2.76Å; N330-V771 PolarHBondContact ND2-O 3.29Å; F749-V771 HydrophobicContact CE2-CG2 4.39Å; L762-V771 HydrophobicContact CB-CG2 4.01Å; L762-V771 WeakPolarHBondContact O-CG2 3.38Å; L762-V771 PolarHBondContact O-N 3.06Å; E764-V771 HydrophobicContact CB-CG1 3.81Å; E764-V771 HydrophobicContact CB-CG2 4.24Å; R769-V771 PolarHBondContact O-N 2.73Å
772	F	90	Very high	89.1	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	140.7	173.7	178.1	-107.7	0	0	0	110.9	L313 V760 V761 L762 V770 C774 Y799 V805	L313-F772 HydrophobicContact CB-CB 4.16Å; L313-F772 HydrophobicContact CB-CD2 4.46Å; L313-F772 HydrophobicContact CD1-CB 4.11Å; V760-F772 HydrophobicContact CG1-CE1 4.31Å; V761-F772 WeakPolarHBondContact CA-O 3.4Å; L762-F772 HydrophobicContact CB-CB 3.95Å; L762-F772 HydrophobicContact CD1-CB 4.01Å; L762-F772 HydrophobicContact CD1-CD1 4.13Å; L762-F772 HydrophobicContact CD1-CG 4.31Å; L762-F772 HydrophobicContact CG-CB 4.35Å; L762-F772 HydrophobicContact CG-CD1 4.44Å; L762-F772 PolarHBondContact N-O 3.43Å; L762-F772 PolarHBondContact O-N 3.06Å; V770-F772 VanDerWaalsContact CG1-O 3.28Å; V770-F772 WeakPolarHBondContact CG1-O 3.49Å; F772-C774 HydrophobicContact CE1-CB 3.71Å; F772-C774 HydrophobicContact CE2-CB 4.45Å; F772-C774 HydrophobicContact CZ-CB 3.54Å; F772-Y799 HydrophobicContact CE2-CD1 4.16Å; F772-Y799 HydrophobicContact CE2-CD2 4.46Å; F772-Y799 AromaticContact CE2-CE1 3.67Å; F772-Y799 HydrophobicContact CE2-CE1 3.67Å; F772-Y799 HydrophobicContact CE2-CE2 4.05Å; F772-Y799 AromaticContact CE2-CZ 3.64Å; F772-Y799 AromaticContact CZ-CD1 3.89Å; F772-Y799 HydrophobicContact CZ-CD1 3.89Å; F772-Y799 HydrophobicContact CZ-CD2 4.4Å; F772-Y799 AromaticContact CZ-CE1 3.88Å; F772-Y799 HydrophobicContact CZ-CE1 3.88Å; F772-Y799 HydrophobicContact CZ-CE2 4.43Å; F772-Y799 HydrophobicContact CZ-CG 4.17Å; F772-V805 HydrophobicContact CD1-CG2 4.44Å; F772-V805 HydrophobicContact CD2-CG2 3.7Å; F772-V805 HydrophobicContact CE1-CG2 4.3Å; F772-V805 HydrophobicContact CE2-CG2 3.52Å; F772-V805 HydrophobicContact CG-CG2 4.16Å; F772-V805 HydrophobicContact CZ-CG2 3.84Å
773	N	90.1	Very high	89	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.011	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149	160	87.8	95.8	0	0	0	112	R327 T328 N330 V333 R340 V760 V761 V770	R327-N773 PolarHBondContact NH2-O 3.11Å; R327-N773 VanDerWaalsContact NH2-O 3.12Å; T328-N773 PolarHBondContact O-ND2 3.44Å; N330-N773 PolarHBondContact OD1-N 2.76Å; N330-N773 PolarHBondContact OD1-ND2 3.4Å; V333-N773 HydrophobicContact CG2-CB 3.76Å; R340-N773 PolarHBondContact NH1-OD1 2.97Å; R340-N773 PolarHBondContact NH2-OD1 3.04Å; V760-N773 WeakPolarHBondContact O-CA 3.41Å; V761-N773 HydrophobicContact CG1-CB 4.14Å; V770-N773 HydrophobicContact CG1-CB 4.41Å
774	C	89.4	Confident	89	Confident	4 Å²	4	31.4 Å²	31.4	3%	0.027	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	149.1	173.3	-179.7	0	0	0	0	109.2	S759 V760 F772	S759-C774 CarbonylContact C-O 3.58Å; S759-C774 VanDerWaalsContact CA-O 3.28Å; S759-C774 WeakPolarHBondContact CA-O 3.38Å; S759-C774 WeakPolarHBondContact CB-O 3.41Å; S759-C774 PolarHBondContact OG-O 3.2Å; V760-C774 PolarHBondContact N-O 2.98Å; V760-C774 PolarHBondContact O-N 3.33Å; F772-C774 HydrophobicContact CE1-CB 3.71Å; F772-C774 HydrophobicContact CE2-CB 4.45Å; F772-C774 HydrophobicContact CZ-CB 3.54Å
775	S	89.4	Confident	88.8	Confident	14 Å²	14	30.5 Å²	30.5	10%	0.098	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	146.7	167.6	-179	0	0	0	0	110.5	E758 R777 D778 V779	E758-S775 WeakPolarHBondContact O-CA 3.42Å; E758-S775 PolarHBondContact O-OG 2.99Å; E758-S775 VanDerWaalsContact O-OG 3.07Å; S775-R777 PolarHBondContact O-N 3.36Å; S775-R777 VanDerWaalsContact O-N 3.14Å; S775-R777 PolarHBondContact OG-N 2.66Å; S775-R777 VanDerWaalsContact OG-N 3.17Å; S775-D778 PolarHBondContact O-N 3.22Å; S775-V779 PolarHBondContact O-N 3.37Å
776	C	91.5	Very high	88.3	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.007	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.1	169.3	-66.1	0	0	0	0	112.6	S756 E758 S759 D778 V827 T828	S756-C776 PolarHBondContact O-SG 3.14Å; S756-C776 VanDerWaalsContact O-SG 3.34Å; E758-C776 PolarHBondContact O-N 2.96Å; S759-C776 VanDerWaalsContact C-SG 3.51Å; S759-C776 PolarHBondContact N-SG 2.77Å; C776-D778 VanDerWaalsContact C-N 3.35Å; C776-V827 HydrophobicContact CB-CG2 4.16Å; C776-V827 WeakPolarHBondContact CB-O 3.49Å; C776-T828 HydrophobicContact CB-CG2 4.08Å; C776-T828 WeakPolarHBondContact O-CA 3.21Å; C776-T828 WeakPolarHBondContact O-CB 3.33Å
777	R	90	Very high	87.6	Confident	88 Å²	88	35.1 Å²	35.1	33%	0.332	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.5	173.2	-51.9	-177.8	-167.1	177.4	8.3	113.9	E341 E758 S775 F919	E341-R777 IonicContact OE1-CZ 2.68Å; E341-R777 IonicContact OE1-NH1 2.87Å; E341-R777 PolarHBondContact OE1-NH1 2.76Å; E341-R777 IonicContact OE1-NH2 3.32Å; E341-R777 PolarHBondContact OE1-NH2 2.87Å; E758-R777 IonicContact OE1-NH2 3.41Å; E758-R777 PolarHBondContact OE1-NH2 2.73Å; E758-R777 IonicContact OE2-CZ 2.71Å; E758-R777 IonicContact OE2-NE 3.52Å; E758-R777 PolarHBondContact OE2-NE 2.7Å; E758-R777 IonicContact OE2-NH2 3.51Å; E758-R777 PolarHBondContact OE2-NH2 3.26Å; S775-R777 PolarHBondContact O-N 3.36Å; S775-R777 VanDerWaalsContact O-N 3.14Å; S775-R777 PolarHBondContact OG-N 2.66Å; S775-R777 VanDerWaalsContact OG-N 3.17Å; R777-F919 HydrophobicContact CB-CB 3.88Å; R777-F919 HydrophobicContact CB-CG 4.46Å; R777-F919 PolarHBondContact O-N 2.79Å
778	D	90.2	Very high	86.4	Confident	11 Å²	11	36 Å²	36	6%	0.059	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-5.6	-178.9	-71.5	-41.5	0	0	0	113.8	S775 C776 I780 Y799 E800 S918 F919 S920	S775-D778 PolarHBondContact O-N 3.22Å; C776-D778 VanDerWaalsContact C-N 3.35Å; D778-I780 PolarHBondContact O-N 3.2Å; D778-Y799 CarbonylContact O-C 3.46Å; D778-Y799 WeakPolarHBondContact O-CA 3.38Å; D778-E800 HydrophobicContact CB-CG 4.33Å; D778-E800 PolarHBondContact O-N 3.32Å; D778-S918 VanDerWaalsContact OD1-CB 3.26Å; D778-S918 WeakPolarHBondContact OD1-CB 3.5Å; D778-F919 WeakPolarHBondContact OD1-CA 3.24Å; D778-F919 PolarHBondContact OD1-N 3.47Å; D778-S920 WeakPolarHBondContact OD1-CB 3.46Å; D778-S920 PolarHBondContact OD1-N 3.23Å; D778-S920 PolarHBondContact OD1-OG 2.96Å; D778-S920 PolarHBondContact OD2-OG 3.45Å
779	V	92.4	Very high	85	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	116.4	167	177.9	0	0	0	0	108.9	V760 S775 I797 T828	V760-V779 HydrophobicContact CG2-CG2 4.17Å; S775-V779 PolarHBondContact O-N 3.37Å; V779-I797 HydrophobicContact CG1-CG2 4.01Å; V779-I797 HydrophobicContact CG2-CG2 4.33Å; V779-T828 HydrophobicContact CB-CG2 3.87Å; V779-T828 HydrophobicContact CG1-CG2 4.09Å; V779-T828 HydrophobicContact CG2-CG2 4.2Å
780	I	92.6	Very high	83.5	Confident	6 Å²	6	45 Å²	45	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-17.7	-179.2	61.3	168	0	0	0	112.8	D778 F798 G830 V877 I907	D778-I780 PolarHBondContact O-N 3.2Å; I780-F798 HydrophobicContact CD1-CB 4.46Å; I780-F798 HydrophobicContact CG1-CB 3.97Å; I780-F798 WeakPolarHBondContact CG1-O 3.35Å; I780-F798 PolarHBondContact N-O 2.98Å; I780-G830 VanDerWaalsContact O-CA 3.31Å; I780-G830 WeakPolarHBondContact O-CA 3.42Å; I780-V877 HydrophobicContact CD1-CG1 4.04Å; I780-I907 HydrophobicContact CD1-CG1 4.16Å; I780-I907 HydrophobicContact CG1-CG1 4.36Å; I780-I907 WeakPolarHBondContact O-CG2 3.45Å
781	G	93.3	Very high	82.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.8	-171.8	173.8	0	0	0	0	0	113.9	F798 C831	G781-F798 PolarHBondContact N-O 3.04Å; G781-F798 PolarHBondContact O-N 3.28Å; G781-C831 CarbonylContact C-O 3.58Å; G781-C831 WeakPolarHBondContact CA-O 3.43Å
782	W	94.6	Very high	81.3	Confident	7 Å²	7	47.6 Å²	47.6	3%	0.027	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	162.7	-178.7	56	84.1	0	0	0	111.5	L795 D796 L824 E825 T828 C831 E832 A833	W782-L795 HydrophobicContact CB-CD1 3.97Å; W782-L795 HydrophobicContact CG-CD1 4.43Å; W782-D796 CarbonylContact C-O 3.54Å; W782-D796 WeakPolarHBondContact CA-O 3.4Å; W782-D796 VanDerWaalsContact CB-O 3.32Å; W782-D796 WeakPolarHBondContact CB-O 3.36Å; W782-L824 HydrophobicContact CE3-CB 4.11Å; W782-L824 HydrophobicContact CZ3-CB 4.15Å; W782-E825 HydrophobicContact CH2-CG 3.81Å; W782-E825 HydrophobicContact CZ2-CG 3.5Å; W782-E825 VanDerWaalsContact CZ2-CG 3.5Å; W782-T828 WeakPolarHBondContact CZ3-OG1 3.35Å; W782-C831 PolarHBondContact N-O 3.43Å; W782-E832 CarbonylContact O-C 3.6Å; W782-E832 WeakPolarHBondContact O-CA 3.48Å; W782-A833 WeakPolarHBondContact O-CB 3.16Å; W782-A833 PolarHBondContact O-N 2.99Å
783	K	91.9	Very high	80.9	Confident	38 Å²	38	47.6 Å²	47.6	17%	0.165	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	114.9	169	-173	-161.5	176.8	-168	0	109.6	V785 L795 D796 F798 A833 E835	K783-V785 HydrophobicContact CD-CG2 4.24Å; K783-V785 HydrophobicContact CG-CG2 4.5Å; K783-L795 WeakPolarHBondContact O-CA 3.4Å; K783-D796 HydrophobicContact CB-CB 4.23Å; K783-D796 PolarHBondContact N-O 3.05Å; K783-D796 PolarHBondContact O-N 2.98Å; K783-F798 HydrophobicContact CB-CE2 4.04Å; K783-A833 HydrophobicContact CB-CB 4.24Å; K783-E835 VanDerWaalsContact CE-CD 3.44Å; K783-E835 WeakPolarHBondContact CE-OE1 3.34Å; K783-E835 WeakPolarHBondContact CE-OE2 3.39Å; K783-E835 IonicContact NZ-OE1 3.18Å; K783-E835 PolarHBondContact NZ-OE1 3.46Å; K783-E835 IonicContact NZ-OE2 2.73Å; K783-E835 PolarHBondContact NZ-OE2 2.88Å
784	A	89.8	Confident	80.8	Confident	25 Å²	25	49 Å²	49	21%	0.207	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	137.1	172.2	0	0	0	0	0	110.7	L795 I817 V821	A784-L795 HydrophobicContact CB-CD1 4.18Å; A784-I817 HydrophobicContact CB-CG2 4.17Å; A784-V821 HydrophobicContact CB-CG2 4.17Å
785	V	84.8	Confident	80.9	Confident	33 Å²	33	48.9 Å²	48.9	20%	0.2	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	96.3	172.7	-177.7	0	0	0	0	107.6	K783 T788 P793 C794	K783-V785 HydrophobicContact CD-CG2 4.24Å; K783-V785 HydrophobicContact CG-CG2 4.5Å; V785-T788 HydrophobicContact CG1-CG2 3.9Å; V785-P793 VanDerWaalsContact O-CA 3.3Å; V785-P793 WeakPolarHBondContact O-CA 3.48Å; V785-C794 HydrophobicContact CB-CB 4.35Å; V785-C794 PolarHBondContact N-O 2.85Å; V785-C794 PolarHBondContact O-N 2.78Å
786	T	74.8	Confident	81	Confident	58 Å²	58	48.8 Å²	48.8	36%	0.356	27%	0.268	S	S	.	.			trans	-98.5	-7	-177.7	56.4	0	0	0	0	114	I817	T786-I817 HydrophobicContact CG2-CG2 4.14Å
787	E	66.9	Low	81	Confident	175 Å²	175	49 Å²	49	82%	0.818	27%	0.269	S	S	*	.			trans	-136	105.2	-178.1	-65.2	-172.1	-176.2	0	0	111.2
788	T	54.8	Low	81.1	Confident	77 Å²	77	44.9 Å²	44.9	47%	0.472	25%	0.253	S	S	.	.			trans	-146	144.1	172.8	20.6	0	0	0	0	110.8	V785 G791	V785-T788 HydrophobicContact CG1-CG2 3.9Å; T788-G791 WeakPolarHBondContact CB-O 3.41Å; T788-G791 PolarHBondContact OG1-O 2.73Å
789	K	55.1	Low	81.1	Confident	205 Å²	205	44.4 Å²	44.4	89%	0.891	25%	0.25	S	S	*	.	S	Bend	trans	-84.8	-18.9	-172.6	-69.1	179.6	179.7	174.3	0	114.8
790	D	53.1	Low	80.8	Confident	167 Å²	167	45.2 Å²	45.2	89%	0.893	25%	0.254	S	S	*	.	S	Bend	trans	-134.7	21.8	-171.4	-57.2	-86.1	0	0	0	111.5
791	G	60.2	Low	80.4	Confident	41 Å²	41	49.4 Å²	49.4	42%	0.423	27%	0.269	S	S	.	.	S	Bend	trans	-169	134.7	-179.3	0	0	0	0	0	112.5	T788	T788-G791 WeakPolarHBondContact CB-O 3.41Å; T788-G791 PolarHBondContact OG1-O 2.73Å
792	G	71.6	Confident	79.8	Confident	38 Å²	38	49.4 Å²	49.4	39%	0.392	27%	0.27	S	S	.	.			trans	-65	166.2	178.3	0	0	0	0	0	113.6
793	P	82.6	Confident	79.4	Confident	4 Å²	4	49.8 Å²	49.8	3%	0.026	27%	0.272	C	S	.	.			trans	-67.1	140.5	-168	31.4	-38.7	0	0	0	112	V785 S808 M809 T814 I817	V785-P793 VanDerWaalsContact O-CA 3.3Å; V785-P793 WeakPolarHBondContact O-CA 3.48Å; P793-S808 WeakPolarHBondContact O-CA 3.49Å; P793-M809 HydrophobicContact CG-CB 4.5Å; P793-M809 PolarHBondContact O-N 2.94Å; P793-T814 HydrophobicContact CB-CG2 3.99Å; P793-T814 HydrophobicContact CG-CG2 3.84Å; P793-I817 HydrophobicContact CB-CD1 3.7Å; P793-I817 HydrophobicContact CG-CD1 4.13Å
794	C	87.8	Confident	79.1	Confident	32 Å²	32	49.2 Å²	49.2	22%	0.216	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	153.5	-168.1	-165.7	0	0	0	0	111.4	V785 I807	V785-C794 HydrophobicContact CB-CB 4.35Å; V785-C794 PolarHBondContact N-O 2.85Å; V785-C794 PolarHBondContact O-N 2.78Å; C794-I807 CarbonylContact C-O 3.56Å; C794-I807 WeakPolarHBondContact CA-O 3.49Å; C794-I807 PolarHBondContact SG-O 2.93Å; C794-I807 VanDerWaalsContact SG-O 3.35Å
795	L	91.3	Very high	79.1	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	117.2	173.9	177.9	58.3	0	0	0	108.8	W782 K783 A784 I797 I807 I817 V820 V821 L824	W782-L795 HydrophobicContact CB-CD1 3.97Å; W782-L795 HydrophobicContact CG-CD1 4.43Å; K783-L795 WeakPolarHBondContact O-CA 3.4Å; A784-L795 HydrophobicContact CB-CD1 4.18Å; L795-I797 HydrophobicContact CD2-CG1 4.48Å; L795-I797 HydrophobicContact CG-CG1 4.19Å; L795-I807 HydrophobicContact CB-CD1 4.47Å; L795-I807 HydrophobicContact CB-CG1 3.92Å; L795-I807 HydrophobicContact CD2-CD1 4.31Å; L795-I807 HydrophobicContact CG-CG1 4.45Å; L795-I807 PolarHBondContact N-O 2.89Å; L795-I807 WeakPolarHBondContact O-CG1 3.25Å; L795-I807 PolarHBondContact O-N 3.41Å; L795-I817 HydrophobicContact CB-CG1 4.47Å; L795-V820 HydrophobicContact CD2-CB 4.27Å; L795-V820 HydrophobicContact CD2-CG1 3.55Å; L795-V821 HydrophobicContact CD1-CG2 4.05Å; L795-V821 HydrophobicContact CD2-CG2 4.31Å; L795-L824 HydrophobicContact CD2-CD1 4.37Å
796	D	91	Very high	79.3	Confident	13 Å²	13	48 Å²	48	7%	0.07	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.9	166.2	-72.4	-52	0	0	0	108.8	W782 K783 F798 S806 R878	W782-D796 CarbonylContact C-O 3.54Å; W782-D796 WeakPolarHBondContact CA-O 3.4Å; W782-D796 VanDerWaalsContact CB-O 3.32Å; W782-D796 WeakPolarHBondContact CB-O 3.36Å; K783-D796 HydrophobicContact CB-CB 4.23Å; K783-D796 PolarHBondContact N-O 3.05Å; K783-D796 PolarHBondContact O-N 2.98Å; D796-F798 HydrophobicContact CB-CE2 3.81Å; D796-F798 HydrophobicContact CB-CZ 3.79Å; D796-S806 WeakPolarHBondContact OD1-CB 3.49Å; D796-S806 PolarHBondContact OD1-OG 2.67Å; D796-R878 VanDerWaalsContact CG-NH2 3.31Å; D796-R878 IonicContact OD1-CZ 2.75Å; D796-R878 IonicContact OD1-NH1 2.85Å; D796-R878 PolarHBondContact OD1-NH1 3.35Å; D796-R878 IonicContact OD1-NH2 2.68Å; D796-R878 PolarHBondContact OD1-NH2 3.06Å; D796-R878 IonicContact OD2-CZ 3.99Å; D796-R878 IonicContact OD2-NH1 3.24Å; D796-R878 PolarHBondContact OD2-NH1 2.96Å; D796-R878 IonicContact OD2-NH2 2.71Å
797	I	92.8	Very high	80.1	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.1	171.7	-57.3	177.9	0	0	0	108.4	V779 L795 S804 V805 I807 L824	V779-I797 HydrophobicContact CG1-CG2 4.01Å; V779-I797 HydrophobicContact CG2-CG2 4.33Å; L795-I797 HydrophobicContact CD2-CG1 4.48Å; L795-I797 HydrophobicContact CG-CG1 4.19Å; I797-S804 VanDerWaalsContact O-CA 3.28Å; I797-S804 WeakPolarHBondContact O-CA 3.43Å; I797-V805 PolarHBondContact N-O 3.19Å; I797-V805 PolarHBondContact O-N 2.82Å; I797-I807 HydrophobicContact CD1-CD1 4.24Å; I797-L824 HydrophobicContact CD1-CD1 4.16Å; I797-L824 HydrophobicContact CG1-CD1 4.35Å
798	F	92	Very high	81.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.1	-179.2	-60.2	-78.9	0	0	0	111.2	I780 G781 K783 D796 E803 A833 V877 R878 T905 I907	I780-F798 HydrophobicContact CD1-CB 4.46Å; I780-F798 HydrophobicContact CG1-CB 3.97Å; I780-F798 WeakPolarHBondContact CG1-O 3.35Å; I780-F798 PolarHBondContact N-O 2.98Å; G781-F798 PolarHBondContact N-O 3.04Å; G781-F798 PolarHBondContact O-N 3.28Å; K783-F798 HydrophobicContact CB-CE2 4.04Å; D796-F798 HydrophobicContact CB-CE2 3.81Å; D796-F798 HydrophobicContact CB-CZ 3.79Å; F798-E803 CarbonylContact C-O 3.56Å; F798-E803 VanDerWaalsContact CA-O 3.31Å; F798-E803 WeakPolarHBondContact CA-O 3.43Å; F798-A833 HydrophobicContact CD2-CB 4.2Å; F798-A833 HydrophobicContact CE2-CB 3.87Å; F798-V877 HydrophobicContact CD1-CB 3.79Å; F798-V877 HydrophobicContact CD1-CG1 4.38Å; F798-V877 HydrophobicContact CD1-CG2 3.59Å; F798-V877 HydrophobicContact CD2-CG2 4.45Å; F798-V877 HydrophobicContact CE1-CB 4.07Å; F798-V877 HydrophobicContact CE1-CG2 3.54Å; F798-V877 HydrophobicContact CE2-CG2 4.41Å; F798-V877 HydrophobicContact CG-CB 4.46Å; F798-V877 HydrophobicContact CG-CG2 4.07Å; F798-V877 HydrophobicContact CZ-CG2 3.99Å; F798-R878 HydrophobicContact CE1-CG 4.19Å; F798-T905 HydrophobicContact CE2-CG2 4.3Å; F798-T905 HydrophobicContact CZ-CG2 3.96Å; F798-I907 HydrophobicContact CB-CD1 4.36Å; F798-I907 HydrophobicContact CD2-CD1 4.04Å; F798-I907 HydrophobicContact CG-CD1 4.33Å
799	Y	90.3	Very high	82.5	Confident	1 Å²	1	34.5 Å²	34.5	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	165.6	-172	70	-83.8	0	0	0	113.2	F772 D778 R801 G802 E803 V805	F772-Y799 HydrophobicContact CE2-CD1 4.16Å; F772-Y799 HydrophobicContact CE2-CD2 4.46Å; F772-Y799 AromaticContact CE2-CE1 3.67Å; F772-Y799 HydrophobicContact CE2-CE1 3.67Å; F772-Y799 HydrophobicContact CE2-CE2 4.05Å; F772-Y799 AromaticContact CE2-CZ 3.64Å; F772-Y799 AromaticContact CZ-CD1 3.89Å; F772-Y799 HydrophobicContact CZ-CD1 3.89Å; F772-Y799 HydrophobicContact CZ-CD2 4.4Å; F772-Y799 AromaticContact CZ-CE1 3.88Å; F772-Y799 HydrophobicContact CZ-CE1 3.88Å; F772-Y799 HydrophobicContact CZ-CE2 4.43Å; F772-Y799 HydrophobicContact CZ-CG 4.17Å; D778-Y799 CarbonylContact O-C 3.46Å; D778-Y799 WeakPolarHBondContact O-CA 3.38Å; Y799-R801 PolarHBondContact O-N 2.86Å; Y799-R801 VanDerWaalsContact O-N 3.08Å; Y799-G802 PolarHBondContact O-N 2.78Å; Y799-E803 HydrophobicContact CD1-CB 4.25Å; Y799-E803 WeakPolarHBondContact CD1-O 3.31Å; Y799-E803 HydrophobicContact CD2-CB 4.34Å; Y799-E803 HydrophobicContact CE1-CB 3.65Å; Y799-E803 HydrophobicContact CE2-CB 3.73Å; Y799-E803 WeakPolarHBondContact CE2-OE2 3.31Å; Y799-E803 VanDerWaalsContact CZ-OE2 3.3Å; Y799-E803 PolarHBondContact N-O 3.04Å; Y799-E803 PolarHBondContact O-N 2.81Å; Y799-E803 VanDerWaalsContact O-N 3.11Å; Y799-E803 WeakPolarHBondContact OH-CB 3.48Å; Y799-E803 PolarHBondContact OH-OE2 2.83Å; Y799-V805 HydrophobicContact CE1-CG2 3.91Å
800	E	86	Confident	83.5	Confident	23 Å²	23	28.5 Å²	28.5	11%	0.107	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	-110	-179	-73	177.5	-127.5	0	0	112.7	R327 D778 G802 R875	R327-E800 IonicContact CZ-OE1 2.66Å; R327-E800 IonicContact NE-OE1 2.7Å; R327-E800 PolarHBondContact NE-OE1 2.99Å; R327-E800 IonicContact NH1-OE1 3.99Å; D778-E800 HydrophobicContact CB-CG 4.33Å; D778-E800 PolarHBondContact O-N 3.32Å; E800-G802 VanDerWaalsContact C-N 3.35Å; E800-R875 PolarHBondContact O-NH1 2.79Å
801	R	82.7	Confident	84.2	Confident	93 Å²	93	27.9 Å²	27.9	35%	0.351	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-2	-177.5	-69.3	179.7	-66.7	-99	-10	114.7	C323 Y799 E803 R875 V885	C323-R801 PolarHBondContact SG-NH1 2.88Å; Y799-R801 PolarHBondContact O-N 2.86Å; Y799-R801 VanDerWaalsContact O-N 3.08Å; R801-E803 IonicContact CZ-OE1 2.7Å; R801-E803 IonicContact NE-OE1 2.69Å; R801-E803 IonicContact NH2-OE1 3.48Å; R801-E803 PolarHBondContact NH2-OE1 2.77Å; R801-R875 VanDerWaalsContact O-CZ 3.27Å; R801-R875 PolarHBondContact O-NE 2.91Å; R801-R875 PolarHBondContact O-NH2 2.85Å; R801-V885 HydrophobicContact CB-CG2 4.09Å
802	G	81.6	Confident	84.5	Confident	1 Å²	1	31 Å²	31	1%	0.01	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	112	13.8	-166	0	0	0	0	0	114.2	Y799 E800	Y799-G802 PolarHBondContact O-N 2.78Å; E800-G802 VanDerWaalsContact C-N 3.35Å
803	E	85.9	Confident	84.6	Confident	14 Å²	14	30.9 Å²	30.9	7%	0.065	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	156.5	166.7	-67.5	168.6	-153.9	0	0	109.7	R327 F798 Y799 R801 V885	R327-E803 IonicContact NH1-OE2 2.76Å; F798-E803 CarbonylContact C-O 3.56Å; F798-E803 VanDerWaalsContact CA-O 3.31Å; F798-E803 WeakPolarHBondContact CA-O 3.43Å; Y799-E803 HydrophobicContact CD1-CB 4.25Å; Y799-E803 WeakPolarHBondContact CD1-O 3.31Å; Y799-E803 HydrophobicContact CD2-CB 4.34Å; Y799-E803 HydrophobicContact CE1-CB 3.65Å; Y799-E803 HydrophobicContact CE2-CB 3.73Å; Y799-E803 WeakPolarHBondContact CE2-OE2 3.31Å; Y799-E803 VanDerWaalsContact CZ-OE2 3.3Å; Y799-E803 PolarHBondContact N-O 3.04Å; Y799-E803 PolarHBondContact O-N 2.81Å; Y799-E803 VanDerWaalsContact O-N 3.11Å; Y799-E803 WeakPolarHBondContact OH-CB 3.48Å; Y799-E803 PolarHBondContact OH-OE2 2.83Å; R801-E803 IonicContact CZ-OE1 2.7Å; R801-E803 IonicContact NE-OE1 2.69Å; R801-E803 IonicContact NH2-OE1 3.48Å; R801-E803 PolarHBondContact NH2-OE1 2.77Å; E803-V885 HydrophobicContact CG-CB 4.22Å; E803-V885 HydrophobicContact CG-CG1 4.02Å; E803-V885 HydrophobicContact CG-CG2 4.15Å
804	S	87.1	Confident	84.3	Confident	27 Å²	27	33 Å²	33	19%	0.189	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	135.3	-173.7	70.5	0	0	0	0	113.3	I797 R878	I797-S804 VanDerWaalsContact O-CA 3.28Å; I797-S804 WeakPolarHBondContact O-CA 3.43Å; S804-R878 PolarHBondContact OG-NE 2.85Å; S804-R878 PolarHBondContact OG-NH2 3.36Å
805	V	88.9	Confident	84.1	Confident	7 Å²	7	37.1 Å²	37.1	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.6	164.4	-174.4	0	0	0	0	109.4	L313 V735 L762 F772 I797 Y799 I807	L313-V805 HydrophobicContact CD1-CG1 4.49Å; V735-V805 HydrophobicContact CG1-CG1 3.86Å; L762-V805 HydrophobicContact CD1-CG1 3.66Å; F772-V805 HydrophobicContact CD1-CG2 4.44Å; F772-V805 HydrophobicContact CD2-CG2 3.7Å; F772-V805 HydrophobicContact CE1-CG2 4.3Å; F772-V805 HydrophobicContact CE2-CG2 3.52Å; F772-V805 HydrophobicContact CG-CG2 4.16Å; F772-V805 HydrophobicContact CZ-CG2 3.84Å; I797-V805 PolarHBondContact N-O 3.19Å; I797-V805 PolarHBondContact O-N 2.82Å; Y799-V805 HydrophobicContact CE1-CG2 3.91Å; V805-I807 HydrophobicContact CG1-CG2 4.08Å
806	S	88.8	Confident	83.8	Confident	25 Å²	25	37.8 Å²	37.8	18%	0.175	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.5	179.1	-46.4	0	0	0	0	109.7	S736 D796 R878	S736-S806 PolarHBondContact N-O 2.79Å; S736-S806 VanDerWaalsContact N-O 3.12Å; S736-S806 WeakPolarHBondContact OG-CB 3.35Å; S736-S806 PolarHBondContact OG-O 2.86Å; D796-S806 WeakPolarHBondContact OD1-CB 3.49Å; D796-S806 PolarHBondContact OD1-OG 2.67Å; S806-R878 PolarHBondContact OG-NH2 2.84Å
807	I	90.9	Very high	83.6	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.7	178.3	69.1	-178.6	0	0	0	110.7	V733 V735 L753 L762 C794 L795 I797 V805	V733-I807 HydrophobicContact CB-CB 4.39Å; V733-I807 HydrophobicContact CG1-CD1 4.24Å; V735-I807 HydrophobicContact CG1-CG2 4.3Å; V735-I807 HydrophobicContact CG2-CG2 4.02Å; L753-I807 HydrophobicContact CD1-CD1 4.43Å; L753-I807 HydrophobicContact CD2-CD1 3.78Å; L762-I807 HydrophobicContact CD1-CG2 4.18Å; L762-I807 HydrophobicContact CD2-CG2 4.33Å; C794-I807 CarbonylContact C-O 3.56Å; C794-I807 WeakPolarHBondContact CA-O 3.49Å; C794-I807 PolarHBondContact SG-O 2.93Å; C794-I807 VanDerWaalsContact SG-O 3.35Å; L795-I807 HydrophobicContact CB-CD1 4.47Å; L795-I807 HydrophobicContact CB-CG1 3.92Å; L795-I807 HydrophobicContact CD2-CD1 4.31Å; L795-I807 HydrophobicContact CG-CG1 4.45Å; L795-I807 PolarHBondContact N-O 2.89Å; L795-I807 WeakPolarHBondContact O-CG1 3.25Å; L795-I807 PolarHBondContact O-N 3.41Å; I797-I807 HydrophobicContact CD1-CD1 4.24Å; V805-I807 HydrophobicContact CG1-CG2 4.08Å
808	S	87.9	Confident	83.4	Confident	10 Å²	10	41.1 Å²	41.1	7%	0.07	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.5	-179.9	56.6	0	0	0	0	111.3	M734 K748 P793	M734-S808 PolarHBondContact N-O 3.2Å; M734-S808 PolarHBondContact O-N 2.73Å; M734-S808 PolarHBondContact O-OG 2.81Å; K748-S808 PolarHBondContact NZ-OG 3.44Å; P793-S808 WeakPolarHBondContact O-CA 3.49Å
809	M	85.4	Confident	83.3	Confident	13 Å²	13	42.7 Å²	42.7	6%	0.064	22%	0.219	C	C	.	.			trans	-121.8	170	177.6	-72.1	-173.4	175.5	0	0	110.9	W731 V733 P793 Q813 D816 I817 V820	W731-M809 HydrophobicContact CB-CE 3.84Å; W731-M809 HydrophobicContact CG-CE 4.3Å; V733-M809 HydrophobicContact CG1-CE 3.56Å; V733-M809 HydrophobicContact CG1-CG 4.2Å; P793-M809 HydrophobicContact CG-CB 4.5Å; P793-M809 PolarHBondContact O-N 2.94Å; M809-Q813 HydrophobicContact CB-CB 4.14Å; M809-Q813 HydrophobicContact SD-CB 4.29Å; M809-D816 HydrophobicContact CE-CB 4.03Å; M809-D816 HydrophobicContact SD-CB 3.54Å; M809-D816 VanDerWaalsContact SD-CB 3.54Å; M809-I817 HydrophobicContact CB-CD1 4.12Å; M809-I817 HydrophobicContact CE-CG1 4.43Å; M809-I817 HydrophobicContact CG-CD1 4.18Å; M809-I817 HydrophobicContact CG-CG1 4.3Å; M809-I817 HydrophobicContact SD-CD1 4.17Å; M809-I817 HydrophobicContact SD-CG1 3.75Å; M809-V820 HydrophobicContact CE-CG2 4.2Å
810	L	76.3	Confident	83.3	Confident	79 Å²	79	42.6 Å²	42.6	41%	0.414	22%	0.219	S	C	.	.			trans	-67.3	150.5	171.8	-68.8	163.5	0	0	0	110	S812 Q813	L810-S812 PolarHBondContact O-N 3.36Å; L810-S812 VanDerWaalsContact O-N 3.12Å; L810-Q813 HydrophobicContact CB-CG 4.41Å; L810-Q813 WeakPolarHBondContact O-CB 3.28Å; L810-Q813 PolarHBondContact O-N 2.99Å
811	E	67	Low	83.7	Confident	154 Å²	154	42.4 Å²	42.4	72%	0.72	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-62	-23.6	-177.4	-161.6	177.7	178.9	0	0	113.1	Q813	E811-Q813 VanDerWaalsContact C-N 3.25Å; E811-Q813 PolarHBondContact O-N 2.94Å
812	S	67.6	Low	84.1	Confident	105 Å²	105	42.4 Å²	42.4	73%	0.734	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-71.1	-11.2	171.6	51.5	0	0	0	0	114.9	L810	L810-S812 PolarHBondContact O-N 3.36Å; L810-S812 VanDerWaalsContact O-N 3.12Å
813	Q	72.7	Confident	84.7	Confident	37 Å²	37	42.5 Å²	42.5	17%	0.173	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-110.1	24.5	-171.6	-68.2	169.3	-29.2	0	0	113	M809 L810 E811 E815 D816	M809-Q813 HydrophobicContact CB-CB 4.14Å; M809-Q813 HydrophobicContact SD-CB 4.29Å; L810-Q813 HydrophobicContact CB-CG 4.41Å; L810-Q813 WeakPolarHBondContact O-CB 3.28Å; L810-Q813 PolarHBondContact O-N 2.99Å; E811-Q813 VanDerWaalsContact C-N 3.25Å; E811-Q813 PolarHBondContact O-N 2.94Å; Q813-E815 PolarHBondContact O-N 2.71Å; Q813-E815 VanDerWaalsContact O-N 3.14Å; Q813-D816 HydrophobicContact CB-CB 4.24Å; Q813-D816 VanDerWaalsContact O-CB 3.29Å; Q813-D816 WeakPolarHBondContact O-CB 3.45Å; Q813-D816 PolarHBondContact O-N 2.84Å
814	T	76.8	Confident	85.1	Confident	47 Å²	47	41.8 Å²	41.8	29%	0.288	22%	0.22	S	C	.	.	H	α-helix	trans	-60.4	-21.9	-179.7	43.1	0	0	0	0	115.2	P793 K818	P793-T814 HydrophobicContact CB-CG2 3.99Å; P793-T814 HydrophobicContact CG-CG2 3.84Å; T814-K818 WeakPolarHBondContact O-CE 3.48Å
815	E	82.5	Confident	85.4	Confident	119 Å²	119	46 Å²	46	56%	0.556	24%	0.237	S	C	*	.	H	α-helix	trans	-77.2	-25.3	171.8	-65.8	-69.3	104	0	0	112.5	Q813 K818 E819	Q813-E815 PolarHBondContact O-N 2.71Å; Q813-E815 VanDerWaalsContact O-N 3.14Å; E815-K818 WeakPolarHBondContact O-CB 3.41Å; E815-K818 PolarHBondContact O-N 3.07Å; E815-K818 VanDerWaalsContact O-N 3.17Å; E815-K818 WeakPolarHBondContact OE1-CE 3.27Å; E815-K818 IonicContact OE1-NZ 3.32Å; E815-K818 PolarHBondContact OE1-NZ 3.3Å; E815-E819 PolarHBondContact O-N 3.28Å
816	D	85.4	Confident	85.6	Confident	16 Å²	16	50 Å²	50	9%	0.086	26%	0.258	C	S	.	.	H	α-helix	trans	-72.3	-37.1	-176	-60.7	1.4	0	0	0	110.9	R214 M809 Q813 K818 E819 V820	R214-D816 IonicContact CZ-OD1 3.19Å; R214-D816 VanDerWaalsContact CZ-OD1 3.27Å; R214-D816 IonicContact CZ-OD2 3.65Å; R214-D816 VanDerWaalsContact NH1-CG 3.26Å; R214-D816 IonicContact NH1-OD1 3.71Å; R214-D816 PolarHBondContact NH1-OD1 3.29Å; R214-D816 IonicContact NH1-OD2 2.75Å; R214-D816 IonicContact NH2-OD1 2.73Å; R214-D816 PolarHBondContact NH2-OD1 2.85Å; R214-D816 IonicContact NH2-OD2 2.71Å; R214-D816 PolarHBondContact NH2-OD2 2.71Å; M809-D816 HydrophobicContact CE-CB 4.03Å; M809-D816 HydrophobicContact SD-CB 3.54Å; M809-D816 VanDerWaalsContact SD-CB 3.54Å; Q813-D816 HydrophobicContact CB-CB 4.24Å; Q813-D816 VanDerWaalsContact O-CB 3.29Å; Q813-D816 WeakPolarHBondContact O-CB 3.45Å; Q813-D816 PolarHBondContact O-N 2.84Å; D816-K818 VanDerWaalsContact C-N 3.25Å; D816-K818 PolarHBondContact O-N 2.66Å; D816-E819 WeakPolarHBondContact O-CB 3.15Å; D816-E819 PolarHBondContact O-N 3.28Å; D816-E819 VanDerWaalsContact O-N 3.16Å; D816-V820 WeakPolarHBondContact O-CG2 3.41Å; D816-V820 PolarHBondContact O-N 3.13Å
817	I	87.4	Confident	85.7	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-33.8	170.8	-82.3	157.2	0	0	0	111.5	A784 T786 P793 L795 M809 V820 V821	A784-I817 HydrophobicContact CB-CG2 4.17Å; T786-I817 HydrophobicContact CG2-CG2 4.14Å; P793-I817 HydrophobicContact CB-CD1 3.7Å; P793-I817 HydrophobicContact CG-CD1 4.13Å; L795-I817 HydrophobicContact CB-CG1 4.47Å; M809-I817 HydrophobicContact CB-CD1 4.12Å; M809-I817 HydrophobicContact CE-CG1 4.43Å; M809-I817 HydrophobicContact CG-CD1 4.18Å; M809-I817 HydrophobicContact CG-CG1 4.3Å; M809-I817 HydrophobicContact SD-CD1 4.17Å; M809-I817 HydrophobicContact SD-CG1 3.75Å; I817-V820 PolarHBondContact O-N 2.75Å; I817-V821 WeakPolarHBondContact O-CB 3.17Å; I817-V821 VanDerWaalsContact O-CG2 3.31Å; I817-V821 WeakPolarHBondContact O-CG2 3.32Å; I817-V821 PolarHBondContact O-N 3.02Å
818	K	88.3	Confident	85.8	Confident	85 Å²	85	50.9 Å²	50.9	37%	0.37	26%	0.262	S	S	.	.	H	α-helix	trans	-70.5	-36.2	175.1	-56.7	172.7	-167.8	169.8	0	111.4	T814 E815 D816 Q822	T814-K818 WeakPolarHBondContact O-CE 3.48Å; E815-K818 WeakPolarHBondContact O-CB 3.41Å; E815-K818 PolarHBondContact O-N 3.07Å; E815-K818 VanDerWaalsContact O-N 3.17Å; E815-K818 WeakPolarHBondContact OE1-CE 3.27Å; E815-K818 IonicContact OE1-NZ 3.32Å; E815-K818 PolarHBondContact OE1-NZ 3.3Å; D816-K818 VanDerWaalsContact C-N 3.25Å; D816-K818 PolarHBondContact O-N 2.66Å; K818-Q822 WeakPolarHBondContact O-CB 3.38Å; K818-Q822 VanDerWaalsContact O-CG 3.24Å; K818-Q822 WeakPolarHBondContact O-CG 3.2Å; K818-Q822 PolarHBondContact O-N 3.44Å
819	E	88.9	Confident	85.8	Confident	33 Å²	33	61 Å²	61	15%	0.154	30%	0.298	C	S	.	.	H	α-helix	trans	-64.3	-43.9	173.1	-161.9	-178	-159.8	0	0	111.4	R214 L723 W731 E815 D816 Q822 R823	R214-E819 IonicContact CZ-OE2 3.76Å; R214-E819 IonicContact NH1-OE2 2.78Å; R214-E819 PolarHBondContact NH1-OE2 2.69Å; L723-E819 HydrophobicContact CD2-CG 4.23Å; W731-E819 HydrophobicContact CZ2-CB 4.47Å; W731-E819 HydrophobicContact CZ2-CG 3.98Å; W731-E819 PolarHBondContact NE1-OE2 2.78Å; E815-E819 PolarHBondContact O-N 3.28Å; D816-E819 WeakPolarHBondContact O-CB 3.15Å; D816-E819 PolarHBondContact O-N 3.28Å; D816-E819 VanDerWaalsContact O-N 3.16Å; E819-Q822 PolarHBondContact O-N 3.03Å; E819-R823 WeakPolarHBondContact O-CB 3.49Å; E819-R823 PolarHBondContact O-N 3.16Å
820	V	91.7	Very high	86	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-44.4	174.7	173.7	0	0	0	0	111.7	W731 L753 L795 M809 D816 I817 R823 L824	W731-V820 HydrophobicContact CB-CG2 4.44Å; W731-V820 HydrophobicContact CD2-CG2 3.45Å; W731-V820 VanDerWaalsContact CD2-CG2 3.45Å; W731-V820 HydrophobicContact CE3-CG2 3.78Å; W731-V820 HydrophobicContact CG-CG2 3.76Å; W731-V820 HydrophobicContact CH2-CG2 4.34Å; W731-V820 HydrophobicContact CZ2-CG2 4.09Å; W731-V820 HydrophobicContact CZ3-CG2 4.21Å; L753-V820 HydrophobicContact CD2-CG1 3.73Å; L753-V820 HydrophobicContact CD2-CG2 3.94Å; L795-V820 HydrophobicContact CD2-CB 4.27Å; L795-V820 HydrophobicContact CD2-CG1 3.55Å; M809-V820 HydrophobicContact CE-CG2 4.2Å; D816-V820 WeakPolarHBondContact O-CG2 3.41Å; D816-V820 PolarHBondContact O-N 3.13Å; I817-V820 PolarHBondContact O-N 2.75Å; V820-R823 WeakPolarHBondContact O-CB 3.45Å; V820-R823 PolarHBondContact O-N 3.29Å; V820-L824 HydrophobicContact CG1-CD1 4.08Å; V820-L824 HydrophobicContact CG1-CG 4.46Å; V820-L824 WeakPolarHBondContact O-CG 3.18Å; V820-L824 PolarHBondContact O-N 2.82Å
821	V	93.1	Very high	86.8	Confident	18 Å²	18	58.1 Å²	58.1	11%	0.109	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-47.2	176.6	168	0	0	0	0	111	A784 L795 I817 R823 L824 E825	A784-V821 HydrophobicContact CB-CG2 4.17Å; L795-V821 HydrophobicContact CD1-CG2 4.05Å; L795-V821 HydrophobicContact CD2-CG2 4.31Å; I817-V821 WeakPolarHBondContact O-CB 3.17Å; I817-V821 VanDerWaalsContact O-CG2 3.31Å; I817-V821 WeakPolarHBondContact O-CG2 3.32Å; I817-V821 PolarHBondContact O-N 3.02Å; V821-R823 PolarHBondContact O-N 2.93Å; V821-L824 PolarHBondContact O-N 3.14Å; V821-E825 HydrophobicContact CG1-CG 4.33Å; V821-E825 WeakPolarHBondContact O-CG 3.13Å; V821-E825 PolarHBondContact O-N 3.3Å
822	Q	92.7	Very high	88.1	Confident	93 Å²	93	56 Å²	56	44%	0.435	28%	0.278	S	S	.	.	H	α-helix	trans	-59.1	-34.6	175.2	-73.6	166.3	27.5	0	0	112.3	L723 K818 E819 L826	L723-Q822 HydrophobicContact CD1-CB 3.99Å; K818-Q822 WeakPolarHBondContact O-CB 3.38Å; K818-Q822 VanDerWaalsContact O-CG 3.24Å; K818-Q822 WeakPolarHBondContact O-CG 3.2Å; K818-Q822 PolarHBondContact O-N 3.44Å; E819-Q822 PolarHBondContact O-N 3.03Å; Q822-L826 WeakPolarHBondContact O-CD1 3.49Å; Q822-L826 VanDerWaalsContact O-CG 3.3Å; Q822-L826 WeakPolarHBondContact O-CG 3.42Å; Q822-L826 PolarHBondContact O-N 2.96Å
823	R	93.1	Very high	89.2	Confident	3 Å²	3	51.3 Å²	51.3	1%	0.011	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-45.5	172.3	-178.8	61.3	166.7	169.5	-2.8	111.8	L723 S725 G727 W731 V755 E819 V820 V821 L826 V827	L723-R823 HydrophobicContact CD2-CB 4.2Å; L723-R823 PolarHBondContact O-NH1 2.86Å; S725-R823 VanDerWaalsContact O-CZ 3.31Å; S725-R823 PolarHBondContact O-NH1 2.8Å; S725-R823 PolarHBondContact O-NH2 3.14Å; G727-R823 PolarHBondContact O-NH2 3.31Å; W731-R823 HydrophobicContact CH2-CB 4.02Å; W731-R823 HydrophobicContact CH2-CG 4.02Å; V755-R823 HydrophobicContact CB-CG 3.92Å; V755-R823 HydrophobicContact CG1-CG 3.59Å; V755-R823 PolarHBondContact O-NE 3.38Å; V755-R823 PolarHBondContact O-NH2 3.19Å; E819-R823 WeakPolarHBondContact O-CB 3.49Å; E819-R823 PolarHBondContact O-N 3.16Å; V820-R823 WeakPolarHBondContact O-CB 3.45Å; V820-R823 PolarHBondContact O-N 3.29Å; V821-R823 PolarHBondContact O-N 2.93Å; R823-L826 PolarHBondContact O-N 3.15Å; R823-V827 WeakPolarHBondContact O-CG2 3.37Å; R823-V827 PolarHBondContact O-N 3.28Å
824	L	94.3	Very high	90.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-38.7	178.6	-70.6	170	0	0	0	112.2	V755 V760 W782 L795 I797 V820 V821 L826 V827 T828	V755-L824 HydrophobicContact CG1-CD2 4.24Å; V760-L824 HydrophobicContact CG2-CD2 4.17Å; W782-L824 HydrophobicContact CE3-CB 4.11Å; W782-L824 HydrophobicContact CZ3-CB 4.15Å; L795-L824 HydrophobicContact CD2-CD1 4.37Å; I797-L824 HydrophobicContact CD1-CD1 4.16Å; I797-L824 HydrophobicContact CG1-CD1 4.35Å; V820-L824 HydrophobicContact CG1-CD1 4.08Å; V820-L824 HydrophobicContact CG1-CG 4.46Å; V820-L824 WeakPolarHBondContact O-CG 3.18Å; V820-L824 PolarHBondContact O-N 2.82Å; V821-L824 PolarHBondContact O-N 3.14Å; L824-L826 VanDerWaalsContact C-N 3.27Å; L824-L826 PolarHBondContact O-N 2.93Å; L824-V827 PolarHBondContact O-N 3.46Å; L824-T828 HydrophobicContact CD2-CG2 3.99Å; L824-T828 WeakPolarHBondContact O-CB 3.33Å; L824-T828 WeakPolarHBondContact O-CG2 3.43Å; L824-T828 PolarHBondContact O-N 3.37Å; L824-T828 PolarHBondContact O-OG1 2.88Å
825	E	93.7	Very high	90.7	Very high	114 Å²	114	54.8 Å²	54.8	53%	0.533	26%	0.261	S	S	.	.	H	α-helix	trans	-59.9	-33.9	173.2	-73.3	171.8	168.1	0	0	112.8	W782 V821	W782-E825 HydrophobicContact CH2-CG 3.81Å; W782-E825 HydrophobicContact CZ2-CG 3.5Å; W782-E825 VanDerWaalsContact CZ2-CG 3.5Å; V821-E825 HydrophobicContact CG1-CG 4.33Å; V821-E825 WeakPolarHBondContact O-CG 3.13Å; V821-E825 PolarHBondContact O-N 3.3Å
826	L	92.1	Very high	90.9	Very high	93 Å²	93	49.2 Å²	49.2	49%	0.487	24%	0.236	S	C	.	.	H	α-helix	trans	-84.6	-25.8	-178.8	-72.7	167.9	0	0	0	114.3	L723 Q822 R823 L824	L723-L826 HydrophobicContact CB-CD1 3.67Å; L723-L826 HydrophobicContact CD1-CD1 4.36Å; Q822-L826 WeakPolarHBondContact O-CD1 3.49Å; Q822-L826 VanDerWaalsContact O-CG 3.3Å; Q822-L826 WeakPolarHBondContact O-CG 3.42Å; Q822-L826 PolarHBondContact O-N 2.96Å; R823-L826 PolarHBondContact O-N 3.15Å; L824-L826 VanDerWaalsContact C-N 3.27Å; L824-L826 PolarHBondContact O-N 2.93Å
827	V	92.1	Very high	90.9	Very high	28 Å²	28	50.7 Å²	50.7	17%	0.17	25%	0.245	C	C	.	.	H	α-helix	trans	-112.7	-14.7	-173.1	-52.1	0	0	0	0	114.9	V755 C776 R823 L824	V755-V827 HydrophobicContact CG1-CG2 3.91Å; C776-V827 HydrophobicContact CB-CG2 4.16Å; C776-V827 WeakPolarHBondContact CB-O 3.49Å; R823-V827 WeakPolarHBondContact O-CG2 3.37Å; R823-V827 PolarHBondContact O-N 3.28Å; L824-V827 PolarHBondContact O-N 3.46Å
828	T	92.3	Very high	90.5	Very high	19 Å²	19	50.7 Å²	50.7	12%	0.117	25%	0.245	C	C	.	.			trans	-113.2	177.1	-177.9	77.9	0	0	0	0	112.2	C776 V779 W782 L824 G830	C776-T828 HydrophobicContact CB-CG2 4.08Å; C776-T828 WeakPolarHBondContact O-CA 3.21Å; C776-T828 WeakPolarHBondContact O-CB 3.33Å; V779-T828 HydrophobicContact CB-CG2 3.87Å; V779-T828 HydrophobicContact CG1-CG2 4.09Å; V779-T828 HydrophobicContact CG2-CG2 4.2Å; W782-T828 WeakPolarHBondContact CZ3-OG1 3.35Å; L824-T828 HydrophobicContact CD2-CG2 3.99Å; L824-T828 WeakPolarHBondContact O-CB 3.33Å; L824-T828 WeakPolarHBondContact O-CG2 3.43Å; L824-T828 PolarHBondContact O-N 3.37Å; L824-T828 PolarHBondContact O-OG1 2.88Å; T828-G830 PolarHBondContact OG1-N 2.93Å
829	R	88.8	Confident	89.8	Confident	221 Å²	221	51.6 Å²	51.6	83%	0.834	25%	0.254	S	S	*	.	S	Bend	trans	-108.7	15.7	166.1	-63.1	-176	-178.4	172	2.2	112.6	R916	R829-R916 PolarHBondContact O-NH1 2.89Å
830	G	90	Very high	89.2	Confident	13 Å²	13	53.1 Å²	53.1	13%	0.134	26%	0.258	C	S	.	.			trans	-69.5	179.3	177.4	0	0	0	0	0	112.4	I780 T828	I780-G830 VanDerWaalsContact O-CA 3.31Å; I780-G830 WeakPolarHBondContact O-CA 3.42Å; T828-G830 PolarHBondContact OG1-N 2.93Å
831	C	92.7	Very high	88.1	Confident	20 Å²	20	55.3 Å²	55.3	14%	0.135	27%	0.27	C	S	.	.			trans	-151.7	169.4	171.9	56.2	0	0	0	0	109.9	G781 W782 R916	G781-C831 CarbonylContact C-O 3.58Å; G781-C831 WeakPolarHBondContact CA-O 3.43Å; W782-C831 PolarHBondContact N-O 3.43Å; C831-R916 PolarHBondContact SG-NE 3.4Å
832	E	93.2	Very high	86.5	Confident	108 Å²	108	58.7 Å²	58.7	51%	0.505	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-65.8	134.6	174.2	-172	163.9	-132.3	0	0	111.5	W782	W782-E832 CarbonylContact O-C 3.6Å; W782-E832 WeakPolarHBondContact O-CA 3.48Å
833	A	92.6	Very high	85.2	Confident	8 Å²	8	60.1 Å²	60.1	7%	0.066	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-83.4	132.9	-178.6	0	0	0	0	0	111	W782 K783 F798 T905 V906 I907	W782-A833 WeakPolarHBondContact O-CB 3.16Å; W782-A833 PolarHBondContact O-N 2.99Å; K783-A833 HydrophobicContact CB-CB 4.24Å; F798-A833 HydrophobicContact CD2-CB 4.2Å; F798-A833 HydrophobicContact CE2-CB 3.87Å; A833-T905 HydrophobicContact CB-CG2 3.88Å; A833-V906 CarbonylContact C-O 3.5Å; A833-V906 WeakPolarHBondContact CA-O 3.3Å; A833-I907 HydrophobicContact CB-CD1 3.57Å
834	L	90.8	Very high	83.9	Confident	76 Å²	76	61.5 Å²	61.5	40%	0.398	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	140.9	-179.3	-59.2	175.9	0	0	0	110.5	T905 V906 P908	L834-T905 WeakPolarHBondContact O-CA 3.33Å; L834-V906 HydrophobicContact CB-CG2 4.02Å; L834-V906 PolarHBondContact N-O 3.08Å; L834-V906 PolarHBondContact O-N 2.7Å; L834-P908 HydrophobicContact CD1-CB 4.45Å; L834-P908 HydrophobicContact CD1-CG 4.44Å
835	E	88.4	Confident	82.9	Confident	80 Å²	80	67 Å²	67	37%	0.374	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	108.5	171.1	-73.7	-169.5	152.1	0	0	111.2	K783 H903 I904 T905	K783-E835 VanDerWaalsContact CE-CD 3.44Å; K783-E835 WeakPolarHBondContact CE-OE1 3.34Å; K783-E835 WeakPolarHBondContact CE-OE2 3.39Å; K783-E835 IonicContact NZ-OE1 3.18Å; K783-E835 PolarHBondContact NZ-OE1 3.46Å; K783-E835 IonicContact NZ-OE2 2.73Å; K783-E835 PolarHBondContact NZ-OE2 2.88Å; E835-H903 WeakPolarHBondContact CB-NE2 3.37Å; E835-H903 VanDerWaalsContact CD-NE2 3.29Å; E835-H903 IonicContact OE1-NE2 2.66Å; E835-H903 IonicContact OE2-NE2 3.54Å; E835-H903 PolarHBondContact OE2-NE2 2.98Å; E835-H903 VanDerWaalsContact OE2-NE2 3.17Å; E835-I904 CarbonylContact C-O 3.53Å; E835-I904 WeakPolarHBondContact CA-O 3.08Å; E835-T905 HydrophobicContact CG-CG2 4.28Å
836	V	87.6	Confident	81.9	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.5	178.4	-171.2	0	0	0	0	109.1	P838 L870 I904 V906	V836-P838 WeakPolarHBondContact O-CD 3.2Å; V836-L870 HydrophobicContact CG1-CB 4.28Å; V836-I904 PolarHBondContact N-O 3.15Å; V836-I904 PolarHBondContact O-N 3.26Å; V836-V906 HydrophobicContact CG2-CG2 4.05Å
837	T	85	Confident	81.1	Confident	46 Å²	46	58.4 Å²	58.4	28%	0.282	33%	0.326	S	S	.	.			trans	-115.2	84.8	170.8	-56.1	0	0	0	0	108.5	L839 K901 I902 H903	T837-L839 PolarHBondContact O-N 2.91Å; T837-K901 HydrophobicContact CG2-CD 4.06Å; T837-K901 HydrophobicContact CG2-CG 3.55Å; T837-I902 WeakPolarHBondContact CA-O 3.38Å; T837-I902 WeakPolarHBondContact CG2-O 3.4Å; T837-H903 VanDerWaalsContact CB-CE1 3.5Å; T837-H903 WeakPolarHBondContact CB-CE1 3.4Å; T837-H903 PolarHBondContact OG1-CE1 3.39Å; T837-H903 PolarHBondContact OG1-ND1 3.28Å
838	P	79.5	Confident	80.9	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.019	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-67	129.3	179.7	28.3	-33.2	0	0	0	110.3	V836 F848 A865 I902 I904	V836-P838 WeakPolarHBondContact O-CD 3.2Å; P838-F848 HydrophobicContact CG-CE1 4.01Å; P838-A865 HydrophobicContact CB-CB 3.65Å; P838-I902 HydrophobicContact CG-CB 4.22Å; P838-I902 HydrophobicContact CG-CG2 4.28Å; P838-I904 HydrophobicContact CG-CD1 3.74Å; P838-I904 HydrophobicContact CG-CG1 4.37Å
839	L	73.6	Confident	80.5	Confident	105 Å²	105	62.1 Å²	62.1	55%	0.55	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-76.5	142.7	168.2	-57.4	173.5	0	0	0	109	T837 Y864	T837-L839 PolarHBondContact O-N 2.91Å; L839-Y864 HydrophobicContact CB-CD2 3.74Å; L839-Y864 HydrophobicContact CB-CE2 4.48Å; L839-Y864 HydrophobicContact CB-CG 3.75Å; L839-Y864 HydrophobicContact CD1-CD1 4.06Å; L839-Y864 HydrophobicContact CD1-CE1 4.38Å; L839-Y864 HydrophobicContact CD1-CG 4.14Å; L839-Y864 HydrophobicContact CG-CG 4.39Å
840	R	75.9	Confident	80.5	Confident	65 Å²	65	53.7 Å²	53.7	25%	0.245	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-66.1	149.9	174.2	-66.7	177.6	-178	-74.9	-6.3	110.7	G844 Q845 L896 R897 A899	R840-G844 WeakPolarHBondContact CD-O 3.34Å; R840-G844 PolarHBondContact NH1-O 3.15Å; R840-Q845 CarbonylContact C-O 3.58Å; R840-Q845 VanDerWaalsContact CA-O 3.27Å; R840-Q845 WeakPolarHBondContact CA-O 3.12Å; R840-L896 VanDerWaalsContact CZ-O 3.28Å; R840-L896 PolarHBondContact NH1-O 2.84Å; R840-L896 PolarHBondContact NH2-O 2.97Å; R840-R897 PolarHBondContact NH2-O 3.15Å; R840-A899 PolarHBondContact NE-O 2.85Å; R840-A899 PolarHBondContact NH2-O 2.75Å
841	D	68.2	Low	80.4	Confident	45 Å²	45	55.3 Å²	55.3	24%	0.241	32%	0.319	C	S	.	.			trans	-74.2	179.7	171.2	77.7	-0.6	0	0	0	112.3	V843 G844 Q845	D841-V843 PolarHBondContact O-N 3.15Å; D841-V843 VanDerWaalsContact O-N 3.09Å; D841-V843 VanDerWaalsContact OD1-C 3.32Å; D841-V843 WeakPolarHBondContact OD1-CA 3.42Å; D841-V843 WeakPolarHBondContact OD1-CB 3.32Å; D841-V843 PolarHBondContact OD1-N 3.34Å; D841-G844 PolarHBondContact O-N 3.49Å; D841-G844 PolarHBondContact OD1-N 2.96Å; D841-Q845 PolarHBondContact N-O 2.98Å; D841-Q845 PolarHBondContact OD1-N 3.15Å
842	G	60.3	Low	79.8	Confident	90 Å²	90	62.4 Å²	62.4	93%	0.928	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-4	178.1	0	0	0	0	0	115.5
843	V	65.5	Low	79.2	Confident	123 Å²	123	60.9 Å²	60.9	75%	0.745	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-2	176	-162	0	0	0	0	110.8	D841	D841-V843 PolarHBondContact O-N 3.15Å; D841-V843 VanDerWaalsContact O-N 3.09Å; D841-V843 VanDerWaalsContact OD1-C 3.32Å; D841-V843 WeakPolarHBondContact OD1-CA 3.42Å; D841-V843 WeakPolarHBondContact OD1-CB 3.32Å; D841-V843 PolarHBondContact OD1-N 3.34Å
844	G	66.4	Low	78.9	Confident	32 Å²	32	60.5 Å²	60.5	33%	0.33	34%	0.34	S	S	.	.	S	Bend	trans	87.1	4.5	-179	0	0	0	0	0	114.8	R840 D841	R840-G844 WeakPolarHBondContact CD-O 3.34Å; R840-G844 PolarHBondContact NH1-O 3.15Å; D841-G844 PolarHBondContact O-N 3.49Å; D841-G844 PolarHBondContact OD1-N 2.96Å
845	Q	72.3	Confident	78.9	Confident	116 Å²	116	57 Å²	57	54%	0.542	32%	0.321	S	S	.	.			trans	-81.2	154.5	-179.4	-64.3	-65.1	-7.5	0	0	112	R840 D841 G847	R840-Q845 CarbonylContact C-O 3.58Å; R840-Q845 VanDerWaalsContact CA-O 3.27Å; R840-Q845 WeakPolarHBondContact CA-O 3.12Å; D841-Q845 PolarHBondContact N-O 2.98Å; D841-Q845 PolarHBondContact OD1-N 3.15Å; Q845-G847 VanDerWaalsContact C-N 3.33Å; Q845-G847 PolarHBondContact O-N 2.9Å
846	P	72.4	Confident	79	Confident	16 Å²	16	53.1 Å²	53.1	10%	0.104	30%	0.303	C	S	.	.			trans	-79	-8.5	-177.2	32.5	-36.8	0	0	0	114.9	F848 I902	P846-F848 HydrophobicContact CB-CD1 4.04Å; P846-F848 HydrophobicContact CB-CE1 3.74Å; P846-F848 HydrophobicContact CB-CZ 4.46Å; P846-F848 HydrophobicContact CG-CE1 4.45Å; P846-F848 WeakPolarHBondContact O-CD1 3.41Å; P846-F848 PolarHBondContact O-N 3.23Å; P846-I902 HydrophobicContact CB-CD1 3.76Å
847	G	76.7	Confident	79.1	Confident	10 Å²	10	54.9 Å²	54.9	10%	0.103	31%	0.314	C	S	.	.	S	Bend	trans	78.6	7.7	176.8	0	0	0	0	0	116.3	Q845 Q860 C863	Q845-G847 VanDerWaalsContact C-N 3.33Å; Q845-G847 PolarHBondContact O-N 2.9Å; G847-Q860 WeakPolarHBondContact O-CB 3.46Å; G847-Q860 PolarHBondContact O-N 3.1Å; G847-C863 PolarHBondContact O-SG 3.1Å
848	F	85.9	Confident	79	Confident	14 Å²	14	57 Å²	57	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159.5	175.2	71.3	-87.7	0	0	0	111.2	P838 P846 M850 V856 D858 L859 A865 L870 L896 I904	P838-F848 HydrophobicContact CG-CE1 4.01Å; P846-F848 HydrophobicContact CB-CD1 4.04Å; P846-F848 HydrophobicContact CB-CE1 3.74Å; P846-F848 HydrophobicContact CB-CZ 4.46Å; P846-F848 HydrophobicContact CG-CE1 4.45Å; P846-F848 WeakPolarHBondContact O-CD1 3.41Å; P846-F848 PolarHBondContact O-N 3.23Å; F848-M850 HydrophobicContact CE2-CB 4.44Å; F848-V856 HydrophobicContact CB-CG1 4.37Å; F848-V856 HydrophobicContact CD2-CG2 4.44Å; F848-D858 CarbonylContact C-O 3.27Å; F848-D858 WeakPolarHBondContact CA-O 3.42Å; F848-L859 HydrophobicContact CB-CD1 3.88Å; F848-A865 HydrophobicContact CD1-CB 4.2Å; F848-L870 HydrophobicContact CB-CD2 3.9Å; F848-L870 HydrophobicContact CD1-CD2 3.75Å; F848-L870 HydrophobicContact CD2-CD2 4.14Å; F848-L870 HydrophobicContact CE1-CD2 4.34Å; F848-L870 HydrophobicContact CG-CD2 3.66Å; F848-L896 HydrophobicContact CZ-CD2 3.88Å; F848-I904 HydrophobicContact CE1-CD1 3.65Å; F848-I904 HydrophobicContact CE2-CD1 4.44Å; F848-I904 HydrophobicContact CZ-CD1 3.42Å; F848-I904 VanDerWaalsContact CZ-CD1 3.42Å
849	L	85.3	Confident	79.3	Confident	111 Å²	111	58.3 Å²	58.3	58%	0.581	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	157.5	168.9	-60.3	175.4	0	0	0	110.5	V856 T857 D858	L849-V856 WeakPolarHBondContact O-CA 3.49Å; L849-T857 PolarHBondContact O-N 3.02Å; L849-T857 VanDerWaalsContact O-N 3.09Å; L849-D858 HydrophobicContact CB-CB 4.11Å; L849-D858 HydrophobicContact CD1-CB 4.31Å; L849-D858 HydrophobicContact CG-CB 4.43Å; L849-D858 PolarHBondContact N-O 2.88Å
850	M	88.8	Confident	79.7	Confident	44 Å²	44	58.3 Å²	58.3	22%	0.217	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	140.8	-172.5	-176.3	-173.2	74.6	0	0	109.7	F848 F855 V876 L884	F848-M850 HydrophobicContact CE2-CB 4.44Å; M850-F855 CarbonylContact C-O 3.57Å; M850-F855 VanDerWaalsContact CA-O 3.26Å; M850-F855 WeakPolarHBondContact CA-O 3.38Å; M850-F855 WeakPolarHBondContact CG-O 3.23Å; M850-V876 HydrophobicContact SD-CB 3.61Å; M850-V876 HydrophobicContact SD-CG1 4.19Å; M850-V876 HydrophobicContact SD-CG2 3.54Å; M850-V876 VanDerWaalsContact SD-CG2 3.54Å; M850-L884 HydrophobicContact CE-CD1 3.9Å; M850-L884 HydrophobicContact CE-CD2 3.9Å; M850-L884 HydrophobicContact SD-CD2 3.96Å
851	N	86.9	Confident	79.5	Confident	47 Å²	47	64.9 Å²	64.9	25%	0.251	35%	0.352	S	S	.	.			trans	-82.4	173.8	176.7	80.3	-13.5	0	0	0	112.9	E853 G854 F855 T857	N851-E853 PolarHBondContact ND2-OE2 3.01Å; N851-E853 PolarHBondContact O-N 3.39Å; N851-E853 WeakPolarHBondContact OD1-CB 3.39Å; N851-E853 PolarHBondContact OD1-N 3.41Å; N851-G854 PolarHBondContact O-N 3.02Å; N851-G854 PolarHBondContact OD1-N 2.76Å; N851-G854 VanDerWaalsContact OD1-N 3.17Å; N851-F855 PolarHBondContact N-O 3.47Å; N851-F855 PolarHBondContact OD1-N 3.27Å; N851-F855 PolarHBondContact OD1-O 3.28Å; N851-T857 HydrophobicContact CB-CG2 3.85Å
852	E	81.1	Confident	79.6	Confident	169 Å²	169	72.1 Å²	72.1	79%	0.79	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.6	-179.5	-60.5	178.2	160.5	0	0	113.6	G854 R892	E852-G854 VanDerWaalsContact C-N 3.3Å; E852-G854 PolarHBondContact O-N 2.78Å; E852-R892 PolarHBondContact O-NH1 2.94Å
853	E	80.5	Confident	80.1	Confident	76 Å²	76	68.5 Å²	68.5	36%	0.355	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.8	177.5	-51.7	171.7	122.4	0	0	113.8	N851 F855 R917	N851-E853 PolarHBondContact ND2-OE2 3.01Å; N851-E853 PolarHBondContact O-N 3.39Å; N851-E853 WeakPolarHBondContact OD1-CB 3.39Å; N851-E853 PolarHBondContact OD1-N 3.41Å; E853-F855 HydrophobicContact CB-CD2 3.78Å; E853-F855 HydrophobicContact CB-CE2 3.88Å; E853-R917 IonicContact OE1-CZ 3.92Å; E853-R917 IonicContact OE1-NH1 3.29Å; E853-R917 PolarHBondContact OE1-NH1 3.02Å; E853-R917 IonicContact OE1-NH2 3.76Å; E853-R917 PolarHBondContact OE1-NH2 3.27Å; E853-R917 IonicContact OE2-CZ 2.83Å; E853-R917 IonicContact OE2-NH1 3.17Å; E853-R917 PolarHBondContact OE2-NH1 2.93Å; E853-R917 IonicContact OE2-NH2 2.7Å; E853-R917 PolarHBondContact OE2-NH2 3.46Å
854	G	86.6	Confident	80.5	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	93.3	10.9	179.8	0	0	0	0	0	116.4	N851 E852 R875 V876 L884	N851-G854 PolarHBondContact O-N 3.02Å; N851-G854 PolarHBondContact OD1-N 2.76Å; N851-G854 VanDerWaalsContact OD1-N 3.17Å; E852-G854 VanDerWaalsContact C-N 3.3Å; E852-G854 PolarHBondContact O-N 2.78Å; G854-R875 CarbonylContact O-C 3.57Å; G854-R875 WeakPolarHBondContact O-CA 3.16Å; G854-V876 PolarHBondContact O-N 3.04Å; G854-L884 VanDerWaalsContact CA-CD2 3.49Å
855	F	90	Very high	81	Confident	1 Å²	1	67.4 Å²	67.4	0%	0.004	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-89.5	135.4	176.6	-61.8	-73.8	0	0	0	112	M850 N851 E853 T857 A874 R875 P915 R917	M850-F855 CarbonylContact C-O 3.57Å; M850-F855 VanDerWaalsContact CA-O 3.26Å; M850-F855 WeakPolarHBondContact CA-O 3.38Å; M850-F855 WeakPolarHBondContact CG-O 3.23Å; N851-F855 PolarHBondContact N-O 3.47Å; N851-F855 PolarHBondContact OD1-N 3.27Å; N851-F855 PolarHBondContact OD1-O 3.28Å; E853-F855 HydrophobicContact CB-CD2 3.78Å; E853-F855 HydrophobicContact CB-CE2 3.88Å; F855-T857 PolarHBondContact O-N 3.35Å; F855-A874 WeakPolarHBondContact CA-O 3.4Å; F855-R875 HydrophobicContact CD1-CB 3.86Å; F855-R875 HydrophobicContact CD1-CG 3.97Å; F855-R875 HydrophobicContact CE1-CB 3.65Å; F855-R875 HydrophobicContact CE1-CG 3.63Å; F855-R875 HydrophobicContact CZ-CG 4.07Å; F855-R875 VanDerWaalsContact CZ-CZ 3.48Å; F855-P915 HydrophobicContact CD1-CB 3.47Å; F855-P915 VanDerWaalsContact CD1-CB 3.47Å; F855-P915 HydrophobicContact CE1-CB 3.48Å; F855-P915 VanDerWaalsContact CE1-CB 3.48Å; F855-P915 HydrophobicContact CG-CB 4.15Å; F855-P915 HydrophobicContact CZ-CB 4.17Å; F855-R917 HydrophobicContact CE1-CG 4.49Å; F855-R917 HydrophobicContact CE2-CG 4.32Å; F855-R917 VanDerWaalsContact CE2-CZ 3.46Å; F855-R917 HydrophobicContact CZ-CG 3.72Å
856	V	89.9	Confident	81.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	108.7	173	178.9	0	0	0	0	109.5	F848 L849 L870 W873 A874 V876	F848-V856 HydrophobicContact CB-CG1 4.37Å; F848-V856 HydrophobicContact CD2-CG2 4.44Å; L849-V856 WeakPolarHBondContact O-CA 3.49Å; V856-L870 HydrophobicContact CG2-CD1 4.07Å; V856-L870 HydrophobicContact CG2-CD2 4.24Å; V856-L870 HydrophobicContact CG2-CG 4.29Å; V856-W873 PolarHBondContact O-N 2.95Å; V856-A874 PolarHBondContact N-O 3.3Å; V856-V876 HydrophobicContact CG2-CG2 4.32Å
857	T	89.4	Confident	81.4	Confident	40 Å²	40	69.5 Å²	69.5	25%	0.245	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-33.4	-178.5	56.9	0	0	0	0	112.7	L849 N851 F855 L872 W873	L849-T857 PolarHBondContact O-N 3.02Å; L849-T857 VanDerWaalsContact O-N 3.09Å; N851-T857 HydrophobicContact CB-CG2 3.85Å; F855-T857 PolarHBondContact O-N 3.35Å; T857-L872 VanDerWaalsContact O-CD1 3.29Å; T857-L872 WeakPolarHBondContact O-CD1 3.4Å; T857-W873 HydrophobicContact CG2-CZ3 4.48Å
858	D	84.5	Confident	81.2	Confident	90 Å²	90	71 Å²	71	48%	0.481	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	137.4	-174.8	-56.5	-93.6	0	0	0	110.1	F848 L849	F848-D858 CarbonylContact C-O 3.27Å; F848-D858 WeakPolarHBondContact CA-O 3.42Å; L849-D858 HydrophobicContact CB-CB 4.11Å; L849-D858 HydrophobicContact CD1-CB 4.31Å; L849-D858 HydrophobicContact CG-CB 4.43Å; L849-D858 PolarHBondContact N-O 2.88Å
859	L	84.9	Confident	81	Confident	31 Å²	31	72 Å²	72	16%	0.162	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	122.1	178.8	-174.1	63.9	0	0	0	108.2	F848 R861 A865 E866 L870 L872	F848-L859 HydrophobicContact CB-CD1 3.88Å; L859-R861 PolarHBondContact O-N 2.93Å; L859-A865 HydrophobicContact CD1-CB 4.02Å; L859-E866 HydrophobicContact CD1-CB 4.4Å; L859-E866 HydrophobicContact CD2-CB 3.85Å; L859-E866 HydrophobicContact CD2-CG 3.96Å; L859-E866 HydrophobicContact CG-CB 4.1Å; L859-L870 HydrophobicContact CD1-CB 4.44Å; L859-L870 HydrophobicContact CD1-CD2 4.06Å; L859-L870 HydrophobicContact CD1-CG 4.42Å; L859-L870 VanDerWaalsContact CD2-O 3.3Å; L859-L870 WeakPolarHBondContact CD2-O 3.43Å; L859-L872 HydrophobicContact CB-CD1 4.11Å
860	Q	81.2	Confident	81	Confident	105 Å²	105	66.9 Å²	66.9	49%	0.491	34%	0.338	S	S	.	.			trans	-72.6	119.9	-178.3	-176.1	179.8	10.5	0	0	109.7	G847 F862 C863	G847-Q860 WeakPolarHBondContact O-CB 3.46Å; G847-Q860 PolarHBondContact O-N 3.1Å; Q860-F862 PolarHBondContact O-N 3.5Å; Q860-C863 HydrophobicContact CB-CB 3.99Å; Q860-C863 HydrophobicContact CG-CB 4.39Å; Q860-C863 WeakPolarHBondContact O-CB 3.34Å; Q860-C863 PolarHBondContact O-N 3.48Å; Q860-C863 PolarHBondContact O-SG 3.05Å
861	R	72.9	Confident	80.9	Confident	203 Å²	203	69.4 Å²	69.4	77%	0.766	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	136.6	-179.4	-71.9	-175.8	178.4	171.3	0.6	111.9	L859 C863 E866	L859-R861 PolarHBondContact O-N 2.93Å; R861-C863 PolarHBondContact O-N 2.91Å; R861-E866 WeakPolarHBondContact CA-OE2 3.21Å
862	F	69.3	Low	81	Confident	196 Å²	196	70.7 Å²	70.7	86%	0.86	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	15.8	-176.7	-42.7	-72.5	0	0	0	114.7	Q860 E866	Q860-F862 PolarHBondContact O-N 3.5Å; F862-E866 PolarHBondContact N-OE2 3.07Å
863	C	72.6	Confident	81.4	Confident	14 Å²	14	67.7 Å²	67.7	10%	0.095	34%	0.337	C	S	.	.			trans	-75.3	162.3	173.5	83.2	0	0	0	0	111.7	G847 Q860 R861 A865 E866 S867	G847-C863 PolarHBondContact O-SG 3.1Å; Q860-C863 HydrophobicContact CB-CB 3.99Å; Q860-C863 HydrophobicContact CG-CB 4.39Å; Q860-C863 WeakPolarHBondContact O-CB 3.34Å; Q860-C863 PolarHBondContact O-N 3.48Å; Q860-C863 PolarHBondContact O-SG 3.05Å; R861-C863 PolarHBondContact O-N 2.91Å; C863-A865 PolarHBondContact O-N 3Å; C863-A865 PolarHBondContact SG-N 2.85Å; C863-A865 VanDerWaalsContact SG-N 3.44Å; C863-E866 PolarHBondContact O-N 3.06Å; C863-E866 PolarHBondContact SG-N 2.85Å; C863-S867 PolarHBondContact O-N 3.1Å; C863-S867 VanDerWaalsContact O-N 3.14Å
864	Y	72.8	Confident	81.9	Confident	132 Å²	132	64.1 Å²	64.1	52%	0.518	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-26.4	179.6	-66.4	-64.6	0	0	0	113.4	L839 S867 G868	L839-Y864 HydrophobicContact CB-CD2 3.74Å; L839-Y864 HydrophobicContact CB-CE2 4.48Å; L839-Y864 HydrophobicContact CB-CG 3.75Å; L839-Y864 HydrophobicContact CD1-CD1 4.06Å; L839-Y864 HydrophobicContact CD1-CE1 4.38Å; L839-Y864 HydrophobicContact CD1-CG 4.14Å; L839-Y864 HydrophobicContact CG-CG 4.39Å; Y864-S867 WeakPolarHBondContact CA-OG 3.46Å; Y864-S867 PolarHBondContact O-N 2.98Å; Y864-S867 PolarHBondContact O-OG 2.82Å; Y864-G868 PolarHBondContact O-N 2.9Å
865	A	77.1	Confident	82.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67	-45.1	175.8	0	0	0	0	0	112.3	P838 F848 L859 C863 G868 G869 L870	P838-A865 HydrophobicContact CB-CB 3.65Å; F848-A865 HydrophobicContact CD1-CB 4.2Å; L859-A865 HydrophobicContact CD1-CB 4.02Å; C863-A865 PolarHBondContact O-N 3Å; C863-A865 PolarHBondContact SG-N 2.85Å; C863-A865 VanDerWaalsContact SG-N 3.44Å; A865-G868 PolarHBondContact O-N 3.29Å; A865-G868 VanDerWaalsContact O-N 3.15Å; A865-G869 PolarHBondContact O-N 2.78Å; A865-L870 HydrophobicContact CB-CB 4.22Å; A865-L870 HydrophobicContact CB-CD2 3.93Å; A865-L870 VanDerWaalsContact O-CB 3.23Å; A865-L870 WeakPolarHBondContact O-CB 3.47Å; A865-L870 PolarHBondContact O-N 3.36Å
866	E	79.4	Confident	82.2	Confident	81 Å²	81	64.4 Å²	64.4	38%	0.379	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-46.1	173.7	-172.7	177	-137.4	0	0	110.5	L859 R861 F862 C863 G868 G869	L859-E866 HydrophobicContact CD1-CB 4.4Å; L859-E866 HydrophobicContact CD2-CB 3.85Å; L859-E866 HydrophobicContact CD2-CG 3.96Å; L859-E866 HydrophobicContact CG-CB 4.1Å; R861-E866 WeakPolarHBondContact CA-OE2 3.21Å; F862-E866 PolarHBondContact N-OE2 3.07Å; C863-E866 PolarHBondContact O-N 3.06Å; C863-E866 PolarHBondContact SG-N 2.85Å; E866-G868 PolarHBondContact O-N 2.68Å; E866-G869 PolarHBondContact O-N 2.57Å; E866-G869 VanDerWaalsContact O-N 3.07Å
867	S	74.2	Confident	82.2	Confident	96 Å²	96	64.4 Å²	64.4	67%	0.671	32%	0.322	S	S	*	.	H	α-helix	trans	-64.7	-22.9	176.1	78.4	0	0	0	0	114.1	C863 Y864 G869	C863-S867 PolarHBondContact O-N 3.1Å; C863-S867 VanDerWaalsContact O-N 3.14Å; Y864-S867 WeakPolarHBondContact CA-OG 3.46Å; Y864-S867 PolarHBondContact O-N 2.98Å; Y864-S867 PolarHBondContact O-OG 2.82Å; S867-G869 VanDerWaalsContact C-N 3.31Å
868	G	72.4	Confident	82.2	Confident	40 Å²	40	64.3 Å²	64.3	41%	0.412	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	2.3	175.9	0	0	0	0	0	114.1	Y864 A865 E866	Y864-G868 PolarHBondContact O-N 2.9Å; A865-G868 PolarHBondContact O-N 3.29Å; A865-G868 VanDerWaalsContact O-N 3.15Å; E866-G868 PolarHBondContact O-N 2.68Å
869	G	80.4	Confident	82.4	Confident	36 Å²	36	60.2 Å²	60.2	37%	0.371	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	8.9	178.9	0	0	0	0	0	115.3	A865 E866 S867	A865-G869 PolarHBondContact O-N 2.78Å; E866-G869 PolarHBondContact O-N 2.57Å; E866-G869 VanDerWaalsContact O-N 3.07Å; S867-G869 VanDerWaalsContact C-N 3.31Å
870	L	85.6	Confident	82.4	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	30%	0.299	C	S	.	.			trans	-68.6	136.8	169.8	-165	62.1	0	0	0	109.8	V836 F848 V856 L859 A865 V906	V836-L870 HydrophobicContact CG1-CB 4.28Å; F848-L870 HydrophobicContact CB-CD2 3.9Å; F848-L870 HydrophobicContact CD1-CD2 3.75Å; F848-L870 HydrophobicContact CD2-CD2 4.14Å; F848-L870 HydrophobicContact CE1-CD2 4.34Å; F848-L870 HydrophobicContact CG-CD2 3.66Å; V856-L870 HydrophobicContact CG2-CD1 4.07Å; V856-L870 HydrophobicContact CG2-CD2 4.24Å; V856-L870 HydrophobicContact CG2-CG 4.29Å; L859-L870 HydrophobicContact CD1-CB 4.44Å; L859-L870 HydrophobicContact CD1-CD2 4.06Å; L859-L870 HydrophobicContact CD1-CG 4.42Å; L859-L870 VanDerWaalsContact CD2-O 3.3Å; L859-L870 WeakPolarHBondContact CD2-O 3.43Å; A865-L870 HydrophobicContact CB-CB 4.22Å; A865-L870 HydrophobicContact CB-CD2 3.93Å; A865-L870 VanDerWaalsContact O-CB 3.23Å; A865-L870 WeakPolarHBondContact O-CB 3.47Å; A865-L870 PolarHBondContact O-N 3.36Å; L870-V906 HydrophobicContact CD1-CB 4.5Å; L870-V906 HydrophobicContact CD1-CG1 3.86Å; L870-V906 HydrophobicContact CD1-CG2 4.3Å
871	Q	87.1	Confident	82.2	Confident	96 Å²	96	56.9 Å²	56.9	45%	0.449	29%	0.29	S	S	.	.			trans	-121.1	152.4	-179.6	-64.3	-176.8	-2.7	0	0	110.9	A874 P909	Q871-A874 HydrophobicContact CB-CB 4.45Å; Q871-A874 VanDerWaalsContact O-CB 3.23Å; Q871-A874 WeakPolarHBondContact O-CB 3.37Å; Q871-A874 PolarHBondContact O-N 2.77Å; Q871-P909 HydrophobicContact CB-CG 4.44Å
872	L	88.3	Confident	82.7	Confident	74 Å²	74	50.5 Å²	50.5	39%	0.387	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	142.2	167.6	-150.3	73.7	0	0	0	109.6	T857 L859 A874	T857-L872 VanDerWaalsContact O-CD1 3.29Å; T857-L872 WeakPolarHBondContact O-CD1 3.4Å; L859-L872 HydrophobicContact CB-CD1 4.11Å; L872-A874 PolarHBondContact O-N 2.56Å; L872-A874 VanDerWaalsContact O-N 3.12Å
873	W	90.4	Very high	83.4	Confident	106 Å²	106	41.9 Å²	41.9	40%	0.402	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	6.8	-175.6	-47.9	114.8	0	0	0	116.4	V856 T857 P915	V856-W873 PolarHBondContact O-N 2.95Å; T857-W873 HydrophobicContact CG2-CZ3 4.48Å; W873-P915 HydrophobicContact CB-CB 4.15Å; W873-P915 HydrophobicContact CB-CG 4.48Å; W873-P915 WeakPolarHBondContact O-CA 3.38Å
874	A	91.2	Very high	83.9	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.008	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-62.1	145.1	164.5	0	0	0	0	0	110.2	F855 V856 Q871 L872 I907	F855-A874 WeakPolarHBondContact CA-O 3.4Å; V856-A874 PolarHBondContact N-O 3.3Å; Q871-A874 HydrophobicContact CB-CB 4.45Å; Q871-A874 VanDerWaalsContact O-CB 3.23Å; Q871-A874 WeakPolarHBondContact O-CB 3.37Å; Q871-A874 PolarHBondContact O-N 2.77Å; L872-A874 PolarHBondContact O-N 2.56Å; L872-A874 VanDerWaalsContact O-N 3.12Å; A874-I907 WeakPolarHBondContact CA-O 3.29Å
875	R	92	Very high	84.3	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.015	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.3	177.9	-163.2	-176	-159.4	140.2	18.1	110.2	E800 R801 G854 F855 V877 V906 I907 E921	E800-R875 PolarHBondContact O-NH1 2.79Å; R801-R875 VanDerWaalsContact O-CZ 3.27Å; R801-R875 PolarHBondContact O-NE 2.91Å; R801-R875 PolarHBondContact O-NH2 2.85Å; G854-R875 CarbonylContact O-C 3.57Å; G854-R875 WeakPolarHBondContact O-CA 3.16Å; F855-R875 HydrophobicContact CD1-CB 3.86Å; F855-R875 HydrophobicContact CD1-CG 3.97Å; F855-R875 HydrophobicContact CE1-CB 3.65Å; F855-R875 HydrophobicContact CE1-CG 3.63Å; F855-R875 HydrophobicContact CZ-CG 4.07Å; F855-R875 VanDerWaalsContact CZ-CZ 3.48Å; R875-V877 HydrophobicContact CG-CG1 4.5Å; R875-V906 CarbonylContact O-C 3.59Å; R875-V906 VanDerWaalsContact O-CA 3.25Å; R875-V906 WeakPolarHBondContact O-CA 3.4Å; R875-I907 HydrophobicContact CB-CB 4.32Å; R875-I907 PolarHBondContact N-O 2.9Å; R875-I907 PolarHBondContact O-N 2.84Å; R875-E921 IonicContact CZ-OE2 3.33Å; R875-E921 VanDerWaalsContact CZ-OE2 3.24Å; R875-E921 IonicContact NH1-OE2 2.87Å; R875-E921 PolarHBondContact NH1-OE2 2.85Å; R875-E921 IonicContact NH2-OE1 3.07Å; R875-E921 IonicContact NH2-OE2 2.96Å; R875-E921 PolarHBondContact NH2-OE2 2.87Å
876	V	91	Very high	84.4	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.1	168.5	177.2	0	0	0	0	108.9	M850 G854 V856 L884 I904 V906	M850-V876 HydrophobicContact SD-CB 3.61Å; M850-V876 HydrophobicContact SD-CG1 4.19Å; M850-V876 HydrophobicContact SD-CG2 3.54Å; M850-V876 VanDerWaalsContact SD-CG2 3.54Å; G854-V876 PolarHBondContact O-N 3.04Å; V856-V876 HydrophobicContact CG2-CG2 4.32Å; V876-L884 HydrophobicContact CB-CD2 4.02Å; V876-L884 HydrophobicContact CG1-CD1 4.38Å; V876-L884 HydrophobicContact CG1-CD2 4.03Å; V876-L884 VanDerWaalsContact O-CD2 3.31Å; V876-L884 WeakPolarHBondContact O-CD2 3.36Å; V876-I904 HydrophobicContact CB-CG2 4.23Å; V876-I904 HydrophobicContact CG1-CG2 3.51Å; V876-I904 HydrophobicContact CG2-CG2 3.85Å; V876-V906 HydrophobicContact CG2-CG1 3.99Å
877	V	90.1	Very high	84.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-30.9	178.6	-65.6	0	0	0	0	112.5	I780 F798 R875 L884 T905 I907	I780-V877 HydrophobicContact CD1-CG1 4.04Å; F798-V877 HydrophobicContact CD1-CB 3.79Å; F798-V877 HydrophobicContact CD1-CG1 4.38Å; F798-V877 HydrophobicContact CD1-CG2 3.59Å; F798-V877 HydrophobicContact CD2-CG2 4.45Å; F798-V877 HydrophobicContact CE1-CB 4.07Å; F798-V877 HydrophobicContact CE1-CG2 3.54Å; F798-V877 HydrophobicContact CE2-CG2 4.41Å; F798-V877 HydrophobicContact CG-CB 4.46Å; F798-V877 HydrophobicContact CG-CG2 4.07Å; F798-V877 HydrophobicContact CZ-CG2 3.99Å; R875-V877 HydrophobicContact CG-CG1 4.5Å; V877-L884 PolarHBondContact O-N 3.13Å; V877-T905 HydrophobicContact CG2-CG2 4.07Å; V877-T905 WeakPolarHBondContact CG2-O 3.49Å; V877-T905 PolarHBondContact N-O 3.44Å; V877-I907 HydrophobicContact CG1-CG1 3.73Å; V877-I907 HydrophobicContact CG2-CD1 4.39Å; V877-I907 HydrophobicContact CG2-CG1 4.31Å
878	R	89.6	Confident	85.1	Confident	38 Å²	38	34.6 Å²	34.6	14%	0.143	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.7	169	-64.3	-177.6	177.4	163	1.8	111.8	D796 F798 S804 S806 H882 I904 T905	D796-R878 VanDerWaalsContact CG-NH2 3.31Å; D796-R878 IonicContact OD1-CZ 2.75Å; D796-R878 IonicContact OD1-NH1 2.85Å; D796-R878 PolarHBondContact OD1-NH1 3.35Å; D796-R878 IonicContact OD1-NH2 2.68Å; D796-R878 PolarHBondContact OD1-NH2 3.06Å; D796-R878 IonicContact OD2-CZ 3.99Å; D796-R878 IonicContact OD2-NH1 3.24Å; D796-R878 PolarHBondContact OD2-NH1 2.96Å; D796-R878 IonicContact OD2-NH2 2.71Å; F798-R878 HydrophobicContact CE1-CG 4.19Å; S804-R878 PolarHBondContact OG-NE 2.85Å; S804-R878 PolarHBondContact OG-NH2 3.36Å; S806-R878 PolarHBondContact OG-NH2 2.84Å; R878-H882 CarbonylContact C-O 3.57Å; R878-H882 WeakPolarHBondContact CA-O 3.37Å; R878-H882 WeakPolarHBondContact CB-O 3.5Å; R878-I904 WeakPolarHBondContact O-CA 3.35Å; R878-T905 PolarHBondContact N-O 2.74Å; R878-T905 PolarHBondContact O-N 2.94Å
879	L	88.4	Confident	85.5	Confident	3 Å²	3	36 Å²	36	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.1	177.9	175.5	63.4	0	0	0	109.4	G881 H882 L884 L887 R892 L895 L896 I902 I904	L879-G881 PolarHBondContact O-N 3.23Å; L879-H882 PolarHBondContact N-O 2.93Å; L879-H882 PolarHBondContact O-N 2.77Å; L879-L884 HydrophobicContact CB-CD1 4.24Å; L879-L884 HydrophobicContact CD2-CD1 4.38Å; L879-L887 HydrophobicContact CB-CD1 4.21Å; L879-L887 HydrophobicContact CD2-CD1 4.24Å; L879-R892 HydrophobicContact CD2-CB 4.44Å; L879-L895 HydrophobicContact CD2-CB 4.09Å; L879-L895 HydrophobicContact CD2-CD1 4.3Å; L879-L895 HydrophobicContact CG-CB 4.41Å; L879-L895 HydrophobicContact CG-CD1 4.44Å; L879-L896 HydrophobicContact CD1-CD2 3.81Å; L879-L896 HydrophobicContact CD1-CG 4.34Å; L879-L896 HydrophobicContact CD2-CD2 4.46Å; L879-L896 HydrophobicContact CD2-CG 4.11Å; L879-I902 HydrophobicContact CD1-CG2 4.02Å; L879-I904 HydrophobicContact CD1-CG1 4.34Å
880	C	83.9	Confident	85.7	Confident	36 Å²	36	40.9 Å²	40.9	24%	0.243	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	29.5	-175.9	-67.3	0	0	0	0	113.8	L895 H903	C880-L895 HydrophobicContact CB-CD2 4.38Å; C880-H903 WeakPolarHBondContact CA-O 3.3Å; C880-H903 PolarHBondContact N-O 2.85Å
881	G	77.4	Confident	85.7	Confident	30 Å²	30	44.8 Å²	44.8	31%	0.309	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-1.4	-177.5	0	0	0	0	0	115.6	R738 L879	R738-G881 PolarHBondContact NH1-O 3.48Å; L879-G881 PolarHBondContact O-N 3.23Å
882	H	82.4	Confident	85.6	Confident	70 Å²	70	42.1 Å²	42.1	32%	0.324	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	150.5	174.6	-66.2	-107.8	0	0	0	111	R738 R878 L879 L884 L887	R738-H882 PolarHBondContact NH2-CE1 2.89Å; R878-H882 CarbonylContact C-O 3.57Å; R878-H882 WeakPolarHBondContact CA-O 3.37Å; R878-H882 WeakPolarHBondContact CB-O 3.5Å; L879-H882 PolarHBondContact N-O 2.93Å; L879-H882 PolarHBondContact O-N 2.77Å; H882-L884 PolarHBondContact O-N 2.9Å; H882-L887 HydrophobicContact CB-CD1 4.1Å; H882-L887 HydrophobicContact CB-CD2 4.14Å; H882-L887 HydrophobicContact CB-CG 4.27Å
883	S	84.2	Confident	85.4	Confident	15 Å²	15	41.2 Å²	41.2	11%	0.105	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	126.4	173.5	176.5	0	0	0	0	110.1	V885 H886	S883-V885 PolarHBondContact O-N 3.15Å; S883-H886 PolarHBondContact O-N 3.16Å; S883-H886 PolarHBondContact OG-CD2 3.33Å
884	L	84.3	Confident	85.1	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.042	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-63.3	-32.8	-179.2	-171.5	72.8	0	0	0	111.9	M850 G854 V876 V877 L879 H882 H886 L887 R892	M850-L884 HydrophobicContact CE-CD1 3.9Å; M850-L884 HydrophobicContact CE-CD2 3.9Å; M850-L884 HydrophobicContact SD-CD2 3.96Å; G854-L884 VanDerWaalsContact CA-CD2 3.49Å; V876-L884 HydrophobicContact CB-CD2 4.02Å; V876-L884 HydrophobicContact CG1-CD1 4.38Å; V876-L884 HydrophobicContact CG1-CD2 4.03Å; V876-L884 VanDerWaalsContact O-CD2 3.31Å; V876-L884 WeakPolarHBondContact O-CD2 3.36Å; V877-L884 PolarHBondContact O-N 3.13Å; L879-L884 HydrophobicContact CB-CD1 4.24Å; L879-L884 HydrophobicContact CD2-CD1 4.38Å; H882-L884 PolarHBondContact O-N 2.9Å; L884-H886 VanDerWaalsContact C-N 3.26Å; L884-H886 PolarHBondContact O-N 3.09Å; L884-L887 PolarHBondContact O-N 2.52Å; L884-R892 HydrophobicContact CD1-CG 3.86Å; L884-R892 PolarHBondContact O-NE 3.41Å; L884-R892 PolarHBondContact O-NH2 3.24Å
885	V	81.3	Confident	84.8	Confident	40 Å²	40	46 Å²	46	24%	0.242	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-66.1	-28.6	-178.3	-175.8	0	0	0	0	111.9	R801 E803 S883	R801-V885 HydrophobicContact CB-CG2 4.09Å; E803-V885 HydrophobicContact CG-CB 4.22Å; E803-V885 HydrophobicContact CG-CG1 4.02Å; E803-V885 HydrophobicContact CG-CG2 4.15Å; S883-V885 PolarHBondContact O-N 3.15Å
886	H	79.3	Confident	84.4	Confident	70 Å²	70	47.4 Å²	47.4	32%	0.324	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-88.2	-17.1	-178.6	-58.1	-171.7	0	0	0	112.9	D740 S883 L884	D740-H886 IonicContact OD2-ND1 2.67Å; D740-H886 PolarHBondContact OD2-ND1 3.32Å; S883-H886 PolarHBondContact O-N 3.16Å; S883-H886 PolarHBondContact OG-CD2 3.33Å; L884-H886 VanDerWaalsContact C-N 3.26Å; L884-H886 PolarHBondContact O-N 3.09Å
887	L	82.6	Confident	84	Confident	16 Å²	16	55.7 Å²	55.7	8%	0.084	28%	0.277	C	S	.	.	S	Bend	trans	-82.9	134.6	-179.1	-65.6	169.4	0	0	0	111.3	L879 H882 L884 E891 R892 L895	L879-L887 HydrophobicContact CB-CD1 4.21Å; L879-L887 HydrophobicContact CD2-CD1 4.24Å; H882-L887 HydrophobicContact CB-CD1 4.1Å; H882-L887 HydrophobicContact CB-CD2 4.14Å; H882-L887 HydrophobicContact CB-CG 4.27Å; L884-L887 PolarHBondContact O-N 2.52Å; L887-E891 HydrophobicContact CB-CB 4.44Å; L887-E891 HydrophobicContact CD2-CB 4.09Å; L887-R892 HydrophobicContact CB-CG 3.71Å; L887-R892 HydrophobicContact CD1-CG 4.33Å; L887-R892 VanDerWaalsContact O-CZ 3.27Å; L887-R892 PolarHBondContact O-NE 2.76Å; L887-R892 PolarHBondContact O-NH2 3.19Å; L887-L895 HydrophobicContact CD1-CD1 3.72Å; L887-L895 HydrophobicContact CD2-CD1 3.91Å; L887-L895 HydrophobicContact CG-CD1 4.49Å
888	S	84.1	Confident	83.6	Confident	36 Å²	36	59.9 Å²	59.9	25%	0.252	30%	0.303	S	S	.	.			trans	-65.5	158.2	167.6	61.5	0	0	0	0	112.6	E890 E891 R892	S888-E890 PolarHBondContact O-N 3.08Å; S888-E891 VanDerWaalsContact CB-OE2 3.31Å; S888-E891 WeakPolarHBondContact CB-OE2 3.49Å; S888-E891 PolarHBondContact N-OE2 3.08Å; S888-E891 PolarHBondContact O-N 2.65Å; S888-E891 VanDerWaalsContact O-N 3.17Å; S888-E891 WeakPolarHBondContact OG-CB 3.16Å; S888-E891 WeakPolarHBondContact OG-CG 3.41Å; S888-E891 PolarHBondContact OG-N 3.05Å; S888-E891 VanDerWaalsContact OG-N 3.15Å; S888-E891 PolarHBondContact OG-OE2 3.11Å; S888-R892 VanDerWaalsContact O-CG 3.24Å; S888-R892 WeakPolarHBondContact O-CG 3.43Å; S888-R892 PolarHBondContact O-N 3.01Å
889	P	82.4	Confident	83.1	Confident	70 Å²	70	59 Å²	59	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-52.4	-36.5	172.6	-26.5	35.6	0	0	0	113.5	S893	P889-S893 VanDerWaalsContact O-CB 3.27Å; P889-S893 WeakPolarHBondContact O-CB 3.38Å; P889-S893 PolarHBondContact O-N 2.74Å; P889-S893 PolarHBondContact O-OG 2.82Å
890	E	83.8	Confident	82.4	Confident	137 Å²	137	68.2 Å²	68.2	64%	0.64	35%	0.346	S	S	*	.	H	α-helix	trans	-67	-46.1	178.4	-66.1	63.2	-139.2	0	0	111	S888 S893 R894	S888-E890 PolarHBondContact O-N 3.08Å; E890-S893 PolarHBondContact O-N 3.42Å; E890-R894 VanDerWaalsContact O-CB 3.29Å; E890-R894 WeakPolarHBondContact O-CB 3.34Å; E890-R894 PolarHBondContact O-N 2.83Å
891	E	84.9	Confident	82.3	Confident	86 Å²	86	73.7 Å²	73.7	40%	0.402	37%	0.365	S	S	.	.	H	α-helix	trans	-70.2	-40.5	178.4	-71	164.2	129	0	0	112.6	L887 S888 S893 R894 L895	L887-E891 HydrophobicContact CB-CB 4.44Å; L887-E891 HydrophobicContact CD2-CB 4.09Å; S888-E891 VanDerWaalsContact CB-OE2 3.31Å; S888-E891 WeakPolarHBondContact CB-OE2 3.49Å; S888-E891 PolarHBondContact N-OE2 3.08Å; S888-E891 PolarHBondContact O-N 2.65Å; S888-E891 VanDerWaalsContact O-N 3.17Å; S888-E891 WeakPolarHBondContact OG-CB 3.16Å; S888-E891 WeakPolarHBondContact OG-CG 3.41Å; S888-E891 PolarHBondContact OG-N 3.05Å; S888-E891 VanDerWaalsContact OG-N 3.15Å; S888-E891 PolarHBondContact OG-OE2 3.11Å; E891-S893 VanDerWaalsContact C-N 3.28Å; E891-S893 PolarHBondContact O-N 2.71Å; E891-R894 PolarHBondContact O-N 3.4Å; E891-L895 WeakPolarHBondContact O-CB 3.12Å; E891-L895 WeakPolarHBondContact O-CG 3.33Å; E891-L895 PolarHBondContact O-N 3.04Å
892	R	86.6	Confident	82.6	Confident	40 Å²	40	72.3 Å²	72.3	15%	0.151	35%	0.351	C	S	.	.	H	α-helix	trans	-54.7	-49.3	170.9	-65.9	169.4	-159.7	-171.5	7	109.9	E852 L879 L884 L887 S888 R894 L895 L896	E852-R892 PolarHBondContact O-NH1 2.94Å; L879-R892 HydrophobicContact CD2-CB 4.44Å; L884-R892 HydrophobicContact CD1-CG 3.86Å; L884-R892 PolarHBondContact O-NE 3.41Å; L884-R892 PolarHBondContact O-NH2 3.24Å; L887-R892 HydrophobicContact CB-CG 3.71Å; L887-R892 HydrophobicContact CD1-CG 4.33Å; L887-R892 VanDerWaalsContact O-CZ 3.27Å; L887-R892 PolarHBondContact O-NE 2.76Å; L887-R892 PolarHBondContact O-NH2 3.19Å; S888-R892 VanDerWaalsContact O-CG 3.24Å; S888-R892 WeakPolarHBondContact O-CG 3.43Å; S888-R892 PolarHBondContact O-N 3.01Å; R892-R894 PolarHBondContact O-N 3.25Å; R892-L895 PolarHBondContact O-N 2.87Å; R892-L896 WeakPolarHBondContact O-CB 3.44Å; R892-L896 WeakPolarHBondContact O-CG 3.24Å; R892-L896 PolarHBondContact O-N 3.44Å
893	S	83.4	Confident	82.7	Confident	56 Å²	56	72 Å²	72	39%	0.392	35%	0.35	S	S	.	.	H	α-helix	trans	-65	-36.9	178.2	-61.7	0	0	0	0	112.9	P889 E890 E891 R897	P889-S893 VanDerWaalsContact O-CB 3.27Å; P889-S893 WeakPolarHBondContact O-CB 3.38Å; P889-S893 PolarHBondContact O-N 2.74Å; P889-S893 PolarHBondContact O-OG 2.82Å; E890-S893 PolarHBondContact O-N 3.42Å; E891-S893 VanDerWaalsContact C-N 3.28Å; E891-S893 PolarHBondContact O-N 2.71Å; S893-R897 VanDerWaalsContact O-CB 3.28Å; S893-R897 WeakPolarHBondContact O-CB 3.38Å; S893-R897 PolarHBondContact O-N 2.87Å
894	R	83.6	Confident	83	Confident	166 Å²	166	71.4 Å²	71.4	63%	0.626	35%	0.345	S	S	*	.	H	α-helix	trans	-65.3	-53.4	175.4	-177.1	-179.8	177.3	-165.4	-1.6	110.5	E890 E891 R892 L896 R897 T898	E890-R894 VanDerWaalsContact O-CB 3.29Å; E890-R894 WeakPolarHBondContact O-CB 3.34Å; E890-R894 PolarHBondContact O-N 2.83Å; E891-R894 PolarHBondContact O-N 3.4Å; R892-R894 PolarHBondContact O-N 3.25Å; R894-L896 PolarHBondContact O-N 3.45Å; R894-R897 CarbonylContact O-C 3.59Å; R894-R897 WeakPolarHBondContact O-CA 3.31Å; R894-R897 PolarHBondContact O-N 3.26Å; R894-T898 HydrophobicContact CG-CG2 4.39Å; R894-T898 PolarHBondContact O-N 3.43Å; R894-T898 PolarHBondContact O-OG1 3.4Å
895	L	85.2	Confident	83.3	Confident	40 Å²	40	71.2 Å²	71.2	21%	0.209	34%	0.344	C	S	.	.	H	α-helix	trans	-58.7	-46.6	179.6	-72.4	169.9	0	0	0	111.9	L879 C880 L887 E891 R892 R897 T898 A899	L879-L895 HydrophobicContact CD2-CB 4.09Å; L879-L895 HydrophobicContact CD2-CD1 4.3Å; L879-L895 HydrophobicContact CG-CB 4.41Å; L879-L895 HydrophobicContact CG-CD1 4.44Å; C880-L895 HydrophobicContact CB-CD2 4.38Å; L887-L895 HydrophobicContact CD1-CD1 3.72Å; L887-L895 HydrophobicContact CD2-CD1 3.91Å; L887-L895 HydrophobicContact CG-CD1 4.49Å; E891-L895 WeakPolarHBondContact O-CB 3.12Å; E891-L895 WeakPolarHBondContact O-CG 3.33Å; E891-L895 PolarHBondContact O-N 3.04Å; R892-L895 PolarHBondContact O-N 2.87Å; L895-R897 PolarHBondContact O-N 3.31Å; L895-T898 PolarHBondContact O-N 3.43Å; L895-A899 WeakPolarHBondContact O-CB 3.48Å; L895-A899 PolarHBondContact O-N 3.11Å
896	L	84.4	Confident	83.8	Confident	34 Å²	34	69.4 Å²	69.4	18%	0.178	33%	0.333	C	S	.	.	H	α-helix	trans	-60.9	-27.6	175.2	-72.1	170.7	0	0	0	112.8	R840 F848 L879 R892 R894 I902	R840-L896 VanDerWaalsContact CZ-O 3.28Å; R840-L896 PolarHBondContact NH1-O 2.84Å; R840-L896 PolarHBondContact NH2-O 2.97Å; F848-L896 HydrophobicContact CZ-CD2 3.88Å; L879-L896 HydrophobicContact CD1-CD2 3.81Å; L879-L896 HydrophobicContact CD1-CG 4.34Å; L879-L896 HydrophobicContact CD2-CD2 4.46Å; L879-L896 HydrophobicContact CD2-CG 4.11Å; R892-L896 WeakPolarHBondContact O-CB 3.44Å; R892-L896 WeakPolarHBondContact O-CG 3.24Å; R892-L896 PolarHBondContact O-N 3.44Å; R894-L896 PolarHBondContact O-N 3.45Å; L896-I902 HydrophobicContact CD2-CD1 4.38Å; L896-I902 HydrophobicContact CD2-CG2 4.17Å
897	R	81.8	Confident	84.5	Confident	179 Å²	179	66.1 Å²	66.1	68%	0.675	32%	0.318	S	S	*	.	H	α-helix	trans	-88.4	-38.4	178.5	-163.9	-178.9	-58.4	117	2.5	113.9	R840 S893 R894 L895	R840-R897 PolarHBondContact NH2-O 3.15Å; S893-R897 VanDerWaalsContact O-CB 3.28Å; S893-R897 WeakPolarHBondContact O-CB 3.38Å; S893-R897 PolarHBondContact O-N 2.87Å; R894-R897 CarbonylContact O-C 3.59Å; R894-R897 WeakPolarHBondContact O-CA 3.31Å; R894-R897 PolarHBondContact O-N 3.26Å; L895-R897 PolarHBondContact O-N 3.31Å
898	T	81.1	Confident	85	Confident	88 Å²	88	66.4 Å²	66.4	54%	0.54	32%	0.321	S	S	.	.	H	α-helix	trans	-103	-19.8	-169.5	63.7	0	0	0	0	115.1	R894 L895 H900	R894-T898 HydrophobicContact CG-CG2 4.39Å; R894-T898 PolarHBondContact O-N 3.43Å; R894-T898 PolarHBondContact O-OG1 3.4Å; L895-T898 PolarHBondContact O-N 3.43Å; T898-H900 PolarHBondContact O-N 3.13Å
899	A	80.1	Confident	85.2	Confident	18 Å²	18	65.2 Å²	65.2	15%	0.149	31%	0.312	C	S	.	.			trans	-67.9	123	-178.1	0	0	0	0	0	111.8	R840 L895 K901 I902	R840-A899 PolarHBondContact NE-O 2.85Å; R840-A899 PolarHBondContact NH2-O 2.75Å; L895-A899 WeakPolarHBondContact O-CB 3.48Å; L895-A899 PolarHBondContact O-N 3.11Å; A899-K901 VanDerWaalsContact C-N 3.26Å; A899-K901 PolarHBondContact O-N 3.32Å; A899-I902 HydrophobicContact CB-CG1 4.39Å
900	H	74.6	Confident	85.5	Confident	198 Å²	198	64.1 Å²	64.1	92%	0.917	30%	0.302	S	S	*	.	S	Bend	trans	-61	-34.1	177.1	-69.4	-69.7	0	0	0	113.1	T898	T898-H900 PolarHBondContact O-N 3.13Å
901	K	80.4	Confident	85.4	Confident	150 Å²	150	66.9 Å²	66.9	65%	0.652	32%	0.316	S	S	*	.	S	Bend	trans	-132.3	106.4	174.4	-176.6	-178.3	-178.9	-171.7	0	107.5	T837 A899 H903	T837-K901 HydrophobicContact CG2-CD 4.06Å; T837-K901 HydrophobicContact CG2-CG 3.55Å; A899-K901 VanDerWaalsContact C-N 3.26Å; A899-K901 PolarHBondContact O-N 3.32Å; K901-H903 PolarHBondContact O-N 3.41Å
902	I	83.4	Confident	85.4	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.01	33%	0.328	C	S	.	.			trans	-74.4	126.2	175.9	-50.7	175.4	0	0	0	107.1	T837 P838 P846 L879 L896 A899 I904	T837-I902 WeakPolarHBondContact CA-O 3.38Å; T837-I902 WeakPolarHBondContact CG2-O 3.4Å; P838-I902 HydrophobicContact CG-CB 4.22Å; P838-I902 HydrophobicContact CG-CG2 4.28Å; P846-I902 HydrophobicContact CB-CD1 3.76Å; L879-I902 HydrophobicContact CD1-CG2 4.02Å; L896-I902 HydrophobicContact CD2-CD1 4.38Å; L896-I902 HydrophobicContact CD2-CG2 4.17Å; A899-I902 HydrophobicContact CB-CG1 4.39Å; I902-I904 HydrophobicContact CG2-CD1 3.87Å; I902-I904 HydrophobicContact CG2-CG1 3.74Å
903	H	85.6	Confident	85.2	Confident	64 Å²	64	68.7 Å²	68.7	30%	0.296	34%	0.34	S	S	.	.			trans	-125	126.9	178.3	-177	70.2	0	0	0	108.3	E835 T837 C880 K901	E835-H903 WeakPolarHBondContact CB-NE2 3.37Å; E835-H903 VanDerWaalsContact CD-NE2 3.29Å; E835-H903 IonicContact OE1-NE2 2.66Å; E835-H903 IonicContact OE2-NE2 3.54Å; E835-H903 PolarHBondContact OE2-NE2 2.98Å; E835-H903 VanDerWaalsContact OE2-NE2 3.17Å; T837-H903 VanDerWaalsContact CB-CE1 3.5Å; T837-H903 WeakPolarHBondContact CB-CE1 3.4Å; T837-H903 PolarHBondContact OG1-CE1 3.39Å; T837-H903 PolarHBondContact OG1-ND1 3.28Å; C880-H903 WeakPolarHBondContact CA-O 3.3Å; C880-H903 PolarHBondContact N-O 2.85Å; K901-H903 PolarHBondContact O-N 3.41Å
904	I	89.9	Confident	85.3	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127	-167.3	-43.8	-176.9	0	0	0	109.2	E835 V836 P838 F848 V876 R878 L879 I902 V906	E835-I904 CarbonylContact C-O 3.53Å; E835-I904 WeakPolarHBondContact CA-O 3.08Å; V836-I904 PolarHBondContact N-O 3.15Å; V836-I904 PolarHBondContact O-N 3.26Å; P838-I904 HydrophobicContact CG-CD1 3.74Å; P838-I904 HydrophobicContact CG-CG1 4.37Å; F848-I904 HydrophobicContact CE1-CD1 3.65Å; F848-I904 HydrophobicContact CE2-CD1 4.44Å; F848-I904 HydrophobicContact CZ-CD1 3.42Å; F848-I904 VanDerWaalsContact CZ-CD1 3.42Å; V876-I904 HydrophobicContact CB-CG2 4.23Å; V876-I904 HydrophobicContact CG1-CG2 3.51Å; V876-I904 HydrophobicContact CG2-CG2 3.85Å; R878-I904 WeakPolarHBondContact O-CA 3.35Å; L879-I904 HydrophobicContact CD1-CG1 4.34Å; I902-I904 HydrophobicContact CG2-CD1 3.87Å; I902-I904 HydrophobicContact CG2-CG1 3.74Å; I904-V906 HydrophobicContact CB-CG1 4.31Å; I904-V906 HydrophobicContact CG2-CG1 3.54Å
905	T	90.8	Very high	85.4	Confident	4 Å²	4	66 Å²	66	3%	0.025	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.7	167.6	-43.9	0	0	0	0	108.1	F798 A833 L834 E835 V877 R878	F798-T905 HydrophobicContact CE2-CG2 4.3Å; F798-T905 HydrophobicContact CZ-CG2 3.96Å; A833-T905 HydrophobicContact CB-CG2 3.88Å; L834-T905 WeakPolarHBondContact O-CA 3.33Å; E835-T905 HydrophobicContact CG-CG2 4.28Å; V877-T905 HydrophobicContact CG2-CG2 4.07Å; V877-T905 WeakPolarHBondContact CG2-O 3.49Å; V877-T905 PolarHBondContact N-O 3.44Å; R878-T905 PolarHBondContact N-O 2.74Å; R878-T905 PolarHBondContact O-N 2.94Å
906	V	92.7	Very high	85.6	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.012	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.6	-175.2	-53.2	0	0	0	0	112.5	A833 L834 V836 L870 R875 V876 I904	A833-V906 CarbonylContact C-O 3.5Å; A833-V906 WeakPolarHBondContact CA-O 3.3Å; L834-V906 HydrophobicContact CB-CG2 4.02Å; L834-V906 PolarHBondContact N-O 3.08Å; L834-V906 PolarHBondContact O-N 2.7Å; V836-V906 HydrophobicContact CG2-CG2 4.05Å; L870-V906 HydrophobicContact CD1-CB 4.5Å; L870-V906 HydrophobicContact CD1-CG1 3.86Å; L870-V906 HydrophobicContact CD1-CG2 4.3Å; R875-V906 CarbonylContact O-C 3.59Å; R875-V906 VanDerWaalsContact O-CA 3.25Å; R875-V906 WeakPolarHBondContact O-CA 3.4Å; V876-V906 HydrophobicContact CG2-CG1 3.99Å; I904-V906 HydrophobicContact CB-CG1 4.31Å; I904-V906 HydrophobicContact CG2-CG1 3.54Å
907	I	93.7	Very high	85.8	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.7	167.3	-54.2	-53.7	0	0	0	107.7	I780 F798 A833 A874 R875 V877 R916	I780-I907 HydrophobicContact CD1-CG1 4.16Å; I780-I907 HydrophobicContact CG1-CG1 4.36Å; I780-I907 WeakPolarHBondContact O-CG2 3.45Å; F798-I907 HydrophobicContact CB-CD1 4.36Å; F798-I907 HydrophobicContact CD2-CD1 4.04Å; F798-I907 HydrophobicContact CG-CD1 4.33Å; A833-I907 HydrophobicContact CB-CD1 3.57Å; A874-I907 WeakPolarHBondContact CA-O 3.29Å; R875-I907 HydrophobicContact CB-CB 4.32Å; R875-I907 PolarHBondContact N-O 2.9Å; R875-I907 PolarHBondContact O-N 2.84Å; V877-I907 HydrophobicContact CG1-CG1 3.73Å; V877-I907 HydrophobicContact CG2-CD1 4.39Å; V877-I907 HydrophobicContact CG2-CG1 4.31Å; I907-R916 HydrophobicContact CG2-CB 4.41Å
908	P	91.6	Very high	86	Confident	23 Å²	23	59.4 Å²	59.4	15%	0.149	30%	0.301	C	S	.	.			trans	-66.7	158.2	177.4	27.2	-34	0	0	0	112.1	L834 R916	L834-P908 HydrophobicContact CD1-CB 4.45Å; L834-P908 HydrophobicContact CD1-CG 4.44Å; P908-R916 VanDerWaalsContact O-CD 3.31Å; P908-R916 WeakPolarHBondContact O-CD 3.5Å; P908-R916 WeakPolarHBondContact O-CG 3.42Å; P908-R916 PolarHBondContact O-NE 2.65Å
909	P	90.3	Very high	86.1	Confident	11 Å²	11	60.1 Å²	60.1	7%	0.071	30%	0.296	C	S	.	.			trans	-59.8	174.4	176.2	25.7	-35	0	0	0	113.4	Q871 K914 R916	Q871-P909 HydrophobicContact CB-CG 4.44Å; P909-K914 CarbonylContact C-O 3.57Å; P909-K914 VanDerWaalsContact CA-O 3.31Å; P909-K914 WeakPolarHBondContact CA-O 3.41Å; P909-K914 WeakPolarHBondContact CB-O 3.19Å; P909-R916 PolarHBondContact O-NE 2.88Å; P909-R916 PolarHBondContact O-NH2 3.39Å
910	D	86.8	Confident	86.1	Confident	46 Å²	46	60.7 Å²	60.7	25%	0.246	30%	0.299	C	S	.	.			trans	-71.2	170.9	170.3	89	-19	0	0	0	111.9	N912 G913 K914 R916	D910-N912 PolarHBondContact O-N 2.98Å; D910-N912 VanDerWaalsContact OD1-C 3.29Å; D910-N912 VanDerWaalsContact OD1-CA 3.27Å; D910-N912 WeakPolarHBondContact OD1-CA 3.39Å; D910-N912 VanDerWaalsContact OD1-CB 3.29Å; D910-N912 WeakPolarHBondContact OD1-CB 3.22Å; D910-N912 PolarHBondContact OD1-N 2.71Å; D910-N912 PolarHBondContact OD2-ND2 2.6Å; D910-G913 PolarHBondContact O-N 3.2Å; D910-G913 PolarHBondContact OD1-N 3.23Å; D910-G913 VanDerWaalsContact OD1-N 3.09Å; D910-K914 PolarHBondContact N-O 3.4Å; D910-K914 WeakPolarHBondContact OD1-CB 3.46Å; D910-K914 PolarHBondContact OD1-N 3.27Å; D910-R916 HydrophobicContact CB-CG 4.46Å
911	E	83.5	Confident	86.5	Confident	196 Å²	196	52.4 Å²	52.4	92%	0.916	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-14.3	178.9	-59.1	-177.4	154.6	0	0	113.7
912	N	85	Confident	86.7	Confident	123 Å²	123	49.8 Å²	49.8	66%	0.658	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	3.8	176.1	-49.2	-85.2	0	0	0	112.5	D910 K914	D910-N912 PolarHBondContact O-N 2.98Å; D910-N912 VanDerWaalsContact OD1-C 3.29Å; D910-N912 VanDerWaalsContact OD1-CA 3.27Å; D910-N912 WeakPolarHBondContact OD1-CA 3.39Å; D910-N912 VanDerWaalsContact OD1-CB 3.29Å; D910-N912 WeakPolarHBondContact OD1-CB 3.22Å; D910-N912 PolarHBondContact OD1-N 2.71Å; D910-N912 PolarHBondContact OD2-ND2 2.6Å; N912-K914 HydrophobicContact CB-CD 4.44Å; N912-K914 HydrophobicContact CB-CG 4.38Å
913	G	81.3	Confident	86.5	Confident	40 Å²	40	55.3 Å²	55.3	41%	0.412	28%	0.275	S	S	.	.	S	Bend	trans	75.3	19.1	-176.8	0	0	0	0	0	114.7	D910	D910-G913 PolarHBondContact O-N 3.2Å; D910-G913 PolarHBondContact OD1-N 3.23Å; D910-G913 VanDerWaalsContact OD1-N 3.09Å
914	K	85.7	Confident	86	Confident	128 Å²	128	54.4 Å²	54.4	56%	0.557	27%	0.271	S	S	*	.			trans	-95	150.9	179.8	-64.1	177	177.9	178.1	0	112	P909 D910 N912 R916	P909-K914 CarbonylContact C-O 3.57Å; P909-K914 VanDerWaalsContact CA-O 3.31Å; P909-K914 WeakPolarHBondContact CA-O 3.41Å; P909-K914 WeakPolarHBondContact CB-O 3.19Å; D910-K914 PolarHBondContact N-O 3.4Å; D910-K914 WeakPolarHBondContact OD1-CB 3.46Å; D910-K914 PolarHBondContact OD1-N 3.27Å; N912-K914 HydrophobicContact CB-CD 4.44Å; N912-K914 HydrophobicContact CB-CG 4.38Å; K914-R916 PolarHBondContact O-N 3.48Å
915	P	86.1	Confident	85.5	Confident	38 Å²	38	59.1 Å²	59.1	25%	0.247	29%	0.291	C	S	.	.			trans	-61.9	130.8	174.2	24.5	-32.8	0	0	0	111.5	F855 W873 R917	F855-P915 HydrophobicContact CD1-CB 3.47Å; F855-P915 VanDerWaalsContact CD1-CB 3.47Å; F855-P915 HydrophobicContact CE1-CB 3.48Å; F855-P915 VanDerWaalsContact CE1-CB 3.48Å; F855-P915 HydrophobicContact CG-CB 4.15Å; F855-P915 HydrophobicContact CZ-CB 4.17Å; W873-P915 HydrophobicContact CB-CB 4.15Å; W873-P915 HydrophobicContact CB-CG 4.48Å; W873-P915 WeakPolarHBondContact O-CA 3.38Å; P915-R917 PolarHBondContact O-N 2.86Å
916	R	88.6	Confident	84.9	Confident	56 Å²	56	61.7 Å²	61.7	21%	0.211	31%	0.313	C	S	.	.			trans	-73.7	114.8	172.8	-64.3	-166.8	-165.9	-127.5	-2.8	110	R829 C831 I907 P908 P909 D910 K914	R829-R916 PolarHBondContact O-NH1 2.89Å; C831-R916 PolarHBondContact SG-NE 3.4Å; I907-R916 HydrophobicContact CG2-CB 4.41Å; P908-R916 VanDerWaalsContact O-CD 3.31Å; P908-R916 WeakPolarHBondContact O-CD 3.5Å; P908-R916 WeakPolarHBondContact O-CG 3.42Å; P908-R916 PolarHBondContact O-NE 2.65Å; P909-R916 PolarHBondContact O-NE 2.88Å; P909-R916 PolarHBondContact O-NH2 3.39Å; D910-R916 HydrophobicContact CB-CG 4.46Å; K914-R916 PolarHBondContact O-N 3.48Å
917	R	88.1	Confident	84	Confident	56 Å²	56	64 Å²	64	21%	0.211	32%	0.324	C	S	.	.			trans	-116.3	148	175.3	-64	-174.7	176.9	-117	1.6	109.3	E853 F855 P915 E921 L922	E853-R917 IonicContact OE1-CZ 3.92Å; E853-R917 IonicContact OE1-NH1 3.29Å; E853-R917 PolarHBondContact OE1-NH1 3.02Å; E853-R917 IonicContact OE1-NH2 3.76Å; E853-R917 PolarHBondContact OE1-NH2 3.27Å; E853-R917 IonicContact OE2-CZ 2.83Å; E853-R917 IonicContact OE2-NH1 3.17Å; E853-R917 PolarHBondContact OE2-NH1 2.93Å; E853-R917 IonicContact OE2-NH2 2.7Å; E853-R917 PolarHBondContact OE2-NH2 3.46Å; F855-R917 HydrophobicContact CE1-CG 4.49Å; F855-R917 HydrophobicContact CE2-CG 4.32Å; F855-R917 VanDerWaalsContact CE2-CZ 3.46Å; F855-R917 HydrophobicContact CZ-CG 3.72Å; P915-R917 PolarHBondContact O-N 2.86Å; R917-E921 HydrophobicContact CB-CG 4.44Å; R917-E921 WeakPolarHBondContact CD-OE1 3.29Å; R917-E921 WeakPolarHBondContact CG-OE1 3.44Å; R917-E921 IonicContact CZ-OE1 3.37Å; R917-E921 IonicContact NE-OE1 2.7Å; R917-E921 PolarHBondContact NE-OE1 3.35Å; R917-E921 IonicContact NH1-OE1 2.66Å; R917-E921 PolarHBondContact NH1-OE1 3.12Å; R917-L922 HydrophobicContact CB-CD1 4.5Å; R917-L922 HydrophobicContact CB-CD2 4.04Å; R917-L922 HydrophobicContact CB-CG 3.98Å
918	S	86.3	Confident	83.2	Confident	3 Å²	3	70 Å²	70	2%	0.021	35%	0.351	C	S	.	.			trans	-68.6	162.1	174.6	75.6	0	0	0	0	110.9	D778 S920 E921 L922	D778-S918 VanDerWaalsContact OD1-CB 3.26Å; D778-S918 WeakPolarHBondContact OD1-CB 3.5Å; S918-S920 VanDerWaalsContact C-N 3.33Å; S918-E921 PolarHBondContact O-N 3.27Å; S918-E921 VanDerWaalsContact OG-CB 3.22Å; S918-E921 WeakPolarHBondContact OG-CB 3.3Å; S918-E921 PolarHBondContact OG-N 3.24Å; S918-L922 WeakPolarHBondContact O-CG 3.43Å; S918-L922 PolarHBondContact O-N 3.42Å; S918-L922 VanDerWaalsContact O-N 3.11Å
919	F	83.8	Confident	82.4	Confident	103 Å²	103	72.9 Å²	72.9	45%	0.452	37%	0.365	S	S	.	.	H	α-helix	trans	-63.7	-42.3	175.4	-179.1	-94.6	0	0	0	111.1	R777 D778 E921 L922 Y923	R777-F919 HydrophobicContact CB-CB 3.88Å; R777-F919 HydrophobicContact CB-CG 4.46Å; R777-F919 PolarHBondContact O-N 2.79Å; D778-F919 WeakPolarHBondContact OD1-CA 3.24Å; D778-F919 PolarHBondContact OD1-N 3.47Å; F919-E921 VanDerWaalsContact C-N 3.34Å; F919-E921 PolarHBondContact O-N 2.88Å; F919-L922 PolarHBondContact O-N 3.21Å; F919-Y923 WeakPolarHBondContact O-CB 3.35Å; F919-Y923 PolarHBondContact O-N 2.94Å
920	S	80.7	Confident	81.6	Confident	30 Å²	30	74.9 Å²	74.9	21%	0.21	38%	0.382	C	S	.	.	H	α-helix	trans	-62.2	-37.4	177	-68.2	0	0	0	0	112.5	D778 S918 Y923 Q924	D778-S920 WeakPolarHBondContact OD1-CB 3.46Å; D778-S920 PolarHBondContact OD1-N 3.23Å; D778-S920 PolarHBondContact OD1-OG 2.96Å; D778-S920 PolarHBondContact OD2-OG 3.45Å; S918-S920 VanDerWaalsContact C-N 3.33Å; S920-Y923 PolarHBondContact O-N 3.36Å; S920-Q924 WeakPolarHBondContact O-CB 3.36Å; S920-Q924 WeakPolarHBondContact O-CG 3.23Å; S920-Q924 PolarHBondContact O-N 2.85Å
921	E	82.4	Confident	80.8	Confident	23 Å²	23	77 Å²	77	11%	0.107	39%	0.39	C	S	.	.	H	α-helix	trans	-67.5	-42	174.5	-174.7	-173.9	148.1	0	0	112	R875 R917 S918 F919 Y923 K925	R875-E921 IonicContact CZ-OE2 3.33Å; R875-E921 VanDerWaalsContact CZ-OE2 3.24Å; R875-E921 IonicContact NH1-OE2 2.87Å; R875-E921 PolarHBondContact NH1-OE2 2.85Å; R875-E921 IonicContact NH2-OE1 3.07Å; R875-E921 IonicContact NH2-OE2 2.96Å; R875-E921 PolarHBondContact NH2-OE2 2.87Å; R917-E921 HydrophobicContact CB-CG 4.44Å; R917-E921 WeakPolarHBondContact CD-OE1 3.29Å; R917-E921 WeakPolarHBondContact CG-OE1 3.44Å; R917-E921 IonicContact CZ-OE1 3.37Å; R917-E921 IonicContact NE-OE1 2.7Å; R917-E921 PolarHBondContact NE-OE1 3.35Å; R917-E921 IonicContact NH1-OE1 2.66Å; R917-E921 PolarHBondContact NH1-OE1 3.12Å; S918-E921 PolarHBondContact O-N 3.27Å; S918-E921 VanDerWaalsContact OG-CB 3.22Å; S918-E921 WeakPolarHBondContact OG-CB 3.3Å; S918-E921 PolarHBondContact OG-N 3.24Å; F919-E921 VanDerWaalsContact C-N 3.34Å; F919-E921 PolarHBondContact O-N 2.88Å; E921-Y923 VanDerWaalsContact C-N 3.34Å; E921-K925 PolarHBondContact O-N 3.08Å; E921-K925 VanDerWaalsContact O-N 3.09Å
922	L	83.9	Confident	79.5	Confident	95 Å²	95	73.1 Å²	73.1	50%	0.497	38%	0.384	S	S	.	.	H	α-helix	trans	-66.1	-36.7	174.9	-68.4	170.7	0	0	0	112	R917 S918 F919 K925 A926	R917-L922 HydrophobicContact CB-CD1 4.5Å; R917-L922 HydrophobicContact CB-CD2 4.04Å; R917-L922 HydrophobicContact CB-CG 3.98Å; S918-L922 WeakPolarHBondContact O-CG 3.43Å; S918-L922 PolarHBondContact O-N 3.42Å; S918-L922 VanDerWaalsContact O-N 3.11Å; F919-L922 PolarHBondContact O-N 3.21Å; L922-K925 PolarHBondContact O-N 3Å; L922-A926 PolarHBondContact O-N 2.84Å
923	Y	78.8	Confident	78	Confident	119 Å²	119	75.4 Å²	75.4	47%	0.467	39%	0.388	S	S	.	.	H	α-helix	trans	-69.6	-46.3	178	-175.1	-109.7	0	0	0	112.1	L326 F919 S920 E921 K925 A926 I927	L326-Y923 HydrophobicContact CD1-CD1 4.31Å; L326-Y923 HydrophobicContact CD2-CD1 4.4Å; L326-Y923 HydrophobicContact CD2-CE1 4.02Å; F919-Y923 WeakPolarHBondContact O-CB 3.35Å; F919-Y923 PolarHBondContact O-N 2.94Å; S920-Y923 PolarHBondContact O-N 3.36Å; E921-Y923 VanDerWaalsContact C-N 3.34Å; Y923-K925 VanDerWaalsContact C-N 3.25Å; Y923-K925 PolarHBondContact O-N 2.79Å; Y923-A926 PolarHBondContact O-N 3.49Å; Y923-A926 VanDerWaalsContact O-N 3.14Å; Y923-I927 HydrophobicContact CD1-CD1 3.85Å; Y923-I927 HydrophobicContact CE1-CD1 3.39Å; Y923-I927 HydrophobicContact CE1-CG1 4.34Å; Y923-I927 PolarHBondContact O-N 3.35Å
924	Q	75.8	Confident	76.3	Confident	44 Å²	44	76.6 Å²	76.6	21%	0.206	39%	0.39	C	S	.	.	H	α-helix	trans	-56.8	-39.4	172	-76.5	179.5	7.3	0	0	112.2	C323 L326 S920 I927 K928	C323-Q924 PolarHBondContact SG-NE2 3.42Å; C323-Q924 VanDerWaalsContact SG-NE2 3.36Å; L326-Q924 HydrophobicContact CD1-CG 3.49Å; L326-Q924 VanDerWaalsContact CD1-CG 3.49Å; S920-Q924 WeakPolarHBondContact O-CB 3.36Å; S920-Q924 WeakPolarHBondContact O-CG 3.23Å; S920-Q924 PolarHBondContact O-N 2.85Å; Q924-I927 PolarHBondContact O-N 3.15Å; Q924-K928 WeakPolarHBondContact O-CG 3.42Å; Q924-K928 PolarHBondContact O-N 3.09Å
925	K	79.6	Confident	74.2	Confident	101 Å²	101	74.6 Å²	74.6	44%	0.439	41%	0.406	S	S	.	.	H	α-helix	trans	-67.4	-41.8	175.9	-172.4	158.6	-173	157.2	0	112.3	E921 L922 Y923 I927 K928 D929	E921-K925 PolarHBondContact O-N 3.08Å; E921-K925 VanDerWaalsContact O-N 3.09Å; L922-K925 PolarHBondContact O-N 3Å; Y923-K925 VanDerWaalsContact C-N 3.25Å; Y923-K925 PolarHBondContact O-N 2.79Å; K925-I927 VanDerWaalsContact C-N 3.29Å; K925-I927 PolarHBondContact O-N 3.28Å; K925-K928 PolarHBondContact O-N 3.41Å; K925-D929 VanDerWaalsContact O-CB 3.27Å; K925-D929 WeakPolarHBondContact O-CB 3.24Å; K925-D929 PolarHBondContact O-N 3.04Å
926	A	77.8	Confident	72.2	Confident	57 Å²	57	81.6 Å²	81.6	47%	0.471	44%	0.435	S	S	.	.	H	α-helix	trans	-63.4	-33.9	175.5	0	0	0	0	0	113	L922 Y923 A930	L922-A926 PolarHBondContact O-N 2.84Å; Y923-A926 PolarHBondContact O-N 3.49Å; Y923-A926 VanDerWaalsContact O-N 3.14Å; A926-A930 WeakPolarHBondContact O-CB 3.41Å; A926-A930 PolarHBondContact O-N 2.87Å
927	I	75	Confident	69.9	Low	50 Å²	50	84.5 Å²	84.5	26%	0.256	46%	0.455	S	S	.	.	H	α-helix	trans	-64.5	-55.3	171.2	-75.1	173	0	0	0	110.4	Y923 Q924 K925 D929 A930 E931	Y923-I927 HydrophobicContact CD1-CD1 3.85Å; Y923-I927 HydrophobicContact CE1-CD1 3.39Å; Y923-I927 HydrophobicContact CE1-CG1 4.34Å; Y923-I927 PolarHBondContact O-N 3.35Å; Q924-I927 PolarHBondContact O-N 3.15Å; K925-I927 VanDerWaalsContact C-N 3.29Å; K925-I927 PolarHBondContact O-N 3.28Å; I927-D929 VanDerWaalsContact C-N 3.29Å; I927-D929 PolarHBondContact O-N 3.18Å; I927-A930 CarbonylContact O-C 3.59Å; I927-A930 WeakPolarHBondContact O-CA 3.43Å; I927-A930 WeakPolarHBondContact O-CB 3.34Å; I927-A930 PolarHBondContact O-N 3.33Å; I927-E931 HydrophobicContact CG2-CG 4.09Å; I927-E931 WeakPolarHBondContact CG2-OE1 3.48Å; I927-E931 WeakPolarHBondContact O-CG 3.34Å; I927-E931 PolarHBondContact O-N 3.04Å
928	K	75.8	Confident	67.4	Low	128 Å²	128	92 Å²	92	56%	0.557	49%	0.489	S	S	*	.	H	α-helix	trans	-59.7	-39.5	179.5	-70.2	176.8	179.7	-176.2	0	112.6	Q924 K925 A930 C932	Q924-K928 WeakPolarHBondContact O-CG 3.42Å; Q924-K928 PolarHBondContact O-N 3.09Å; K925-K928 PolarHBondContact O-N 3.41Å; K928-A930 PolarHBondContact O-N 3.23Å; K928-C932 VanDerWaalsContact O-CB 3.29Å; K928-C932 WeakPolarHBondContact O-CB 3.41Å; K928-C932 PolarHBondContact O-N 3.17Å; K928-C932 PolarHBondContact O-SG 3.14Å
929	D	75.4	Confident	65.1	Low	84 Å²	84	95.9 Å²	95.9	45%	0.449	52%	0.516	S	S	.	.	H	α-helix	trans	-65.1	-19.7	174.2	-73.2	-15	0	0	0	112.2	K925 I927 K933	K925-D929 VanDerWaalsContact O-CB 3.27Å; K925-D929 WeakPolarHBondContact O-CB 3.24Å; K925-D929 PolarHBondContact O-N 3.04Å; I927-D929 VanDerWaalsContact C-N 3.29Å; I927-D929 PolarHBondContact O-N 3.18Å; D929-K933 PolarHBondContact O-NZ 3.37Å
930	A	72.6	Confident	63.1	Low	52 Å²	52	94.3 Å²	94.3	43%	0.43	53%	0.529	S	S	.	.	H	α-helix	trans	-92.2	-45.8	174.1	0	0	0	0	0	112.4	A926 I927 K928 C932 K933 S934	A926-A930 WeakPolarHBondContact O-CB 3.41Å; A926-A930 PolarHBondContact O-N 2.87Å; I927-A930 CarbonylContact O-C 3.59Å; I927-A930 WeakPolarHBondContact O-CA 3.43Å; I927-A930 WeakPolarHBondContact O-CB 3.34Å; I927-A930 PolarHBondContact O-N 3.33Å; K928-A930 PolarHBondContact O-N 3.23Å; A930-C932 VanDerWaalsContact C-N 3.29Å; A930-C932 PolarHBondContact O-N 2.87Å; A930-K933 WeakPolarHBondContact O-CA 3.37Å; A930-K933 WeakPolarHBondContact O-CB 3.46Å; A930-K933 PolarHBondContact O-N 3.45Å; A930-S934 PolarHBondContact O-N 2.84Å
931	E	70.1	Confident	60.9	Low	90 Å²	90	96.8 Å²	96.8	42%	0.421	54%	0.542	S	S	.	.	H	α-helix	trans	-56.3	-42.8	175.1	-68.7	165.7	164.6	0	0	111	I927 K933 S934	I927-E931 HydrophobicContact CG2-CG 4.09Å; I927-E931 WeakPolarHBondContact CG2-OE1 3.48Å; I927-E931 WeakPolarHBondContact O-CG 3.34Å; I927-E931 PolarHBondContact O-N 3.04Å; E931-K933 PolarHBondContact O-N 3.35Å; E931-S934 CarbonylContact O-C 3.55Å; E931-S934 PolarHBondContact O-N 3.15Å; E931-S934 PolarHBondContact O-OG 3.32Å
932	C	57.6	Low	58.8	Low	115 Å²	115	97.4 Å²	97.4	78%	0.777	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	1.8	173.6	-65	0	0	0	0	114.5	K928 A930	K928-C932 VanDerWaalsContact O-CB 3.29Å; K928-C932 WeakPolarHBondContact O-CB 3.41Å; K928-C932 PolarHBondContact O-N 3.17Å; K928-C932 PolarHBondContact O-SG 3.14Å; A930-C932 VanDerWaalsContact C-N 3.29Å; A930-C932 PolarHBondContact O-N 2.87Å
933	K	53.4	Low	56.5	Low	171 Å²	171	101.9 Å²	101.9	74%	0.743	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	-11.3	170.7	-58	-173.3	-179.2	79	0	113.3	D929 A930 E931	D929-K933 PolarHBondContact O-NZ 3.37Å; A930-K933 WeakPolarHBondContact O-CA 3.37Å; A930-K933 WeakPolarHBondContact O-CB 3.46Å; A930-K933 PolarHBondContact O-N 3.45Å; E931-K933 PolarHBondContact O-N 3.35Å
934	S	44.2	Very low	54.5	Low	66 Å²	66	100 Å²	100	46%	0.462	56%	0.563	S	S	.	*	S	Bend	trans	-113.9	87.7	176.7	51.4	0	0	0	0	109.6	A930 E931 E936	A930-S934 PolarHBondContact O-N 2.84Å; E931-S934 CarbonylContact O-C 3.55Å; E931-S934 PolarHBondContact O-N 3.15Å; E931-S934 PolarHBondContact O-OG 3.32Å; S934-E936 PolarHBondContact O-N 2.84Å
935	G	42.6	Very low	52.7	Low	86 Å²	86	100.4 Å²	100.4	89%	0.887	57%	0.568	S	S	*	*			trans	-74.3	57.9	-177.1	0	0	0	0	0	114.5
936	E	43.4	Very low	50.5	Low	184 Å²	184	98.7 Å²	98.7	86%	0.86	56%	0.564	S	S	*	*			trans	-159.8	101.6	171.2	-129	171.8	-147.1	0	0	109.5	S934	S934-E936 PolarHBondContact O-N 2.84Å
937	D	40	Very low	48.6	Very low	118 Å²	118	102.2 Å²	102.2	63%	0.631	57%	0.57	S	S	*	*			trans	-146	135.2	176.7	-118.2	-44.5	0	0	0	112.2
938	K	36.4	Very low	47	Very low	213 Å²	213	107 Å²	107	93%	0.926	59%	0.585	S	S	*	*			trans	-140.3	83.1	167.8	-81.4	-165.5	175.4	-171.8	0	108.2	G940	K938-G940 PolarHBondContact O-N 3Å
939	S	38.9	Very low	45.4	Very low	84 Å²	84	106.6 Å²	106.6	59%	0.587	59%	0.585	S	S	*	*			trans	-66.8	117.7	177.2	53.6	0	0	0	0	111.1	V941	S939-V941 PolarHBondContact O-N 3.16Å
940	G	40.1	Very low	43.8	Very low	70 Å²	70	105.4 Å²	105.4	72%	0.722	58%	0.579	S	S	*	*			trans	-75	67.9	178.1	0	0	0	0	0	113.4	K938	K938-G940 PolarHBondContact O-N 3Å
941	V	35.8	Very low	42.4	Very low	82 Å²	82	108.5 Å²	108.5	50%	0.497	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-81.5	151.4	172	-170.6	0	0	0	0	109.2	S939 W943	S939-V941 PolarHBondContact O-N 3.16Å; V941-W943 PolarHBondContact O-NE1 2.77Å
942	A	38.1	Very low	41.1	Very low	36 Å²	36	111.4 Å²	111.4	30%	0.298	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-70.1	134.5	172.7	0	0	0	0	0	110.1
943	W	35.4	Very low	40.4	Very low	190 Å²	190	111.6 Å²	111.6	72%	0.72	58%	0.581	S	S	*	*	B	Isolated β-bridge	trans	-95.5	130.6	178.6	-57.2	92.2	0	0	0	109.9	V941	V941-W943 PolarHBondContact O-NE1 2.77Å
944	V	35.9	Very low	39.9	Very low	79 Å²	79	109.5 Å²	109.5	48%	0.479	57%	0.574	S	S	.	*			trans	-98.9	106	161.9	-179.6	0	0	0	0	106	P639	P639-V944 HydrophobicContact CB-CG2 3.87Å; P639-V944 HydrophobicContact CG-CG2 3.57Å
945	V	38.2	Very low	40	Very low	53 Å²	53	112.1 Å²	112.1	32%	0.321	58%	0.579	S	S	.	*			trans	-71.1	132.7	165.1	-175.9	0	0	0	0	106.7	E947 D950	V945-E947 PolarHBondContact O-N 2.88Å; V945-D950 WeakPolarHBondContact CG1-OD1 3.35Å
946	D	34.7	Very low	40.3	Very low	65 Å²	65	114 Å²	114	35%	0.348	57%	0.565	S	S	.	*			trans	-69.7	120.3	172.7	-164.4	-43.7	0	0	0	107	R948 E949	D946-R948 PolarHBondContact O-N 2.93Å; D946-R948 WeakPolarHBondContact OD1-CB 3.43Å; D946-R948 IonicContact OD1-CZ 3.06Å; D946-R948 PolarHBondContact OD1-N 2.76Å; D946-R948 IonicContact OD1-NE 2.71Å; D946-R948 PolarHBondContact OD1-NE 2.72Å; D946-R948 IonicContact OD1-NH2 3.69Å; D946-R948 PolarHBondContact OD1-NH2 3.45Å; D946-R948 IonicContact OD2-CZ 3.89Å; D946-R948 IonicContact OD2-NE 3.26Å; D946-R948 IonicContact OD2-NH2 2.98Å; D946-R948 PolarHBondContact OD2-NH2 2.89Å; D946-E949 HydrophobicContact CB-CG 4.43Å; D946-E949 PolarHBondContact O-N 3.48Å
947	E	37.5	Very low	40.6	Very low	130 Å²	130	111 Å²	111	61%	0.607	55%	0.551	S	S	*	*	H	α-helix	trans	-59.3	-15.9	-175.5	-64.6	172.9	149.7	0	0	112	V945 E949 E951	V945-E947 PolarHBondContact O-N 2.88Å; E947-E949 VanDerWaalsContact C-N 3.34Å; E947-E951 WeakPolarHBondContact O-CB 3.48Å; E947-E951 WeakPolarHBondContact O-CG 3.46Å; E947-E951 PolarHBondContact O-N 2.78Å
948	R	41.3	Very low	41.3	Very low	152 Å²	152	111.7 Å²	111.7	57%	0.574	55%	0.548	S	S	*	.	H	α-helix	trans	-85.6	4.6	174.2	-53.7	170.9	-63.3	170.5	5.9	114.6	D946 R952	D946-R948 PolarHBondContact O-N 2.93Å; D946-R948 WeakPolarHBondContact OD1-CB 3.43Å; D946-R948 IonicContact OD1-CZ 3.06Å; D946-R948 PolarHBondContact OD1-N 2.76Å; D946-R948 IonicContact OD1-NE 2.71Å; D946-R948 PolarHBondContact OD1-NE 2.72Å; D946-R948 IonicContact OD1-NH2 3.69Å; D946-R948 PolarHBondContact OD1-NH2 3.45Å; D946-R948 IonicContact OD2-CZ 3.89Å; D946-R948 IonicContact OD2-NE 3.26Å; D946-R948 IonicContact OD2-NH2 2.98Å; D946-R948 PolarHBondContact OD2-NH2 2.89Å; R948-R952 WeakPolarHBondContact O-CD 3.45Å; R948-R952 VanDerWaalsContact O-CG 3.27Å; R948-R952 WeakPolarHBondContact O-CG 3.5Å; R948-R952 PolarHBondContact O-NE 3.03Å
949	E	41.8	Very low	42.7	Very low	118 Å²	118	105.4 Å²	105.4	55%	0.551	53%	0.527	S	S	*	.	H	α-helix	trans	-99.1	-45.8	163.7	-67.4	-174.9	151.2	0	0	109.3	D946 E947 E951 R952 E953	D946-E949 HydrophobicContact CB-CG 4.43Å; D946-E949 PolarHBondContact O-N 3.48Å; E947-E949 VanDerWaalsContact C-N 3.34Å; E949-E951 VanDerWaalsContact C-N 3.34Å; E949-E951 PolarHBondContact O-N 3.45Å; E949-R952 WeakPolarHBondContact O-CA 3.28Å; E949-R952 WeakPolarHBondContact O-CB 3.36Å; E949-R952 PolarHBondContact O-N 2.86Å; E949-E953 PolarHBondContact O-N 3.03Å
950	D	42	Very low	43.7	Very low	59 Å²	59	107.2 Å²	107.2	32%	0.316	53%	0.527	S	S	.	.	H	α-helix	trans	-54.3	-47.1	169.2	-71.7	-7.9	0	0	0	111.2	R643 V945 R952 E953 E954	R643-D950 IonicContact CZ-OD2 3.08Å; R643-D950 IonicContact NH1-OD2 3.83Å; R643-D950 PolarHBondContact NH1-OD2 3.17Å; R643-D950 VanDerWaalsContact NH1-OD2 3.07Å; R643-D950 IonicContact NH2-OD2 3.53Å; R643-D950 PolarHBondContact NH2-OD2 2.97Å; V945-D950 WeakPolarHBondContact CG1-OD1 3.35Å; D950-R952 PolarHBondContact O-N 2.8Å; D950-E953 PolarHBondContact O-N 3.21Å; D950-E954 PolarHBondContact O-N 2.93Å
951	E	42.5	Very low	44.6	Very low	118 Å²	118	109.4 Å²	109.4	55%	0.551	52%	0.518	S	S	*	.	H	α-helix	trans	-63.7	-21	174.7	-79.9	-173.1	160	0	0	114.2	E947 E949 Q955	E947-E951 WeakPolarHBondContact O-CB 3.48Å; E947-E951 WeakPolarHBondContact O-CG 3.46Å; E947-E951 PolarHBondContact O-N 2.78Å; E949-E951 VanDerWaalsContact C-N 3.34Å; E949-E951 PolarHBondContact O-N 3.45Å; E951-Q955 WeakPolarHBondContact O-CB 3.45Å; E951-Q955 WeakPolarHBondContact O-CG 3.41Å; E951-Q955 PolarHBondContact O-N 2.62Å; E951-Q955 PolarHBondContact O-NE2 3.17Å
952	R	42.8	Very low	45.7	Very low	150 Å²	150	112.4 Å²	112.4	57%	0.566	53%	0.527	S	S	*	.	H	α-helix	trans	-85.6	-43.7	175.2	-75.3	178.4	-150	-145.2	3.5	111.5	R948 E949 D950 E954 Q955 E956	R948-R952 WeakPolarHBondContact O-CD 3.45Å; R948-R952 VanDerWaalsContact O-CG 3.27Å; R948-R952 WeakPolarHBondContact O-CG 3.5Å; R948-R952 PolarHBondContact O-NE 3.03Å; E949-R952 WeakPolarHBondContact O-CA 3.28Å; E949-R952 WeakPolarHBondContact O-CB 3.36Å; E949-R952 PolarHBondContact O-N 2.86Å; D950-R952 PolarHBondContact O-N 2.8Å; R952-E954 VanDerWaalsContact C-N 3.26Å; R952-E954 PolarHBondContact O-N 3.08Å; R952-Q955 CarbonylContact O-C 3.58Å; R952-Q955 PolarHBondContact O-N 3.45Å; R952-E956 WeakPolarHBondContact O-CB 3.39Å; R952-E956 WeakPolarHBondContact O-CG 3.21Å; R952-E956 PolarHBondContact O-N 3.21Å
953	E	42.8	Very low	46.5	Very low	120 Å²	120	116.1 Å²	116.1	56%	0.561	54%	0.538	S	S	*	.	H	α-helix	trans	-62.8	-36.7	176.4	-66.8	-168.6	-176.4	0	0	110.6	E949 D950 Q955 Q957	E949-E953 PolarHBondContact O-N 3.03Å; D950-E953 PolarHBondContact O-N 3.21Å; E953-Q955 PolarHBondContact O-N 3.25Å; E953-Q957 WeakPolarHBondContact O-CB 3.28Å; E953-Q957 WeakPolarHBondContact O-CG 3.49Å; E953-Q957 PolarHBondContact O-N 3.48Å
954	E	44.5	Very low	47.5	Very low	127 Å²	127	112 Å²	112	59%	0.593	53%	0.529	S	S	*	.	H	α-helix	trans	-66	-30.8	169.8	-80.7	-155.5	-176	0	0	114.3	D950 R952 K958	D950-E954 PolarHBondContact O-N 2.93Å; R952-E954 VanDerWaalsContact C-N 3.26Å; R952-E954 PolarHBondContact O-N 3.08Å; E954-K958 WeakPolarHBondContact O-CB 3.44Å; E954-K958 PolarHBondContact O-N 3.21Å; E954-K958 VanDerWaalsContact O-N 3.17Å
955	Q	44.7	Very low	48.5	Very low	120 Å²	120	113.3 Å²	113.3	56%	0.561	53%	0.529	S	S	*	.	H	α-helix	trans	-80	-40.9	177.5	-79.5	172.6	55.7	0	0	111.9	E951 R952 E953 K958 V959	E951-Q955 WeakPolarHBondContact O-CB 3.45Å; E951-Q955 WeakPolarHBondContact O-CG 3.41Å; E951-Q955 PolarHBondContact O-N 2.62Å; E951-Q955 PolarHBondContact O-NE2 3.17Å; R952-Q955 CarbonylContact O-C 3.58Å; R952-Q955 PolarHBondContact O-N 3.45Å; E953-Q955 PolarHBondContact O-N 3.25Å; Q955-K958 PolarHBondContact O-N 3.38Å; Q955-V959 WeakPolarHBondContact O-CG2 3.29Å; Q955-V959 PolarHBondContact O-N 3.4Å
956	E	49.1	Very low	49.1	Very low	127 Å²	127	113.1 Å²	113.1	59%	0.593	53%	0.533	S	S	*	.	H	α-helix	trans	-67.9	-41.3	176.1	-70.4	178	-173.2	0	0	110.2	R952 K958 V959 E960	R952-E956 WeakPolarHBondContact O-CB 3.39Å; R952-E956 WeakPolarHBondContact O-CG 3.21Å; R952-E956 PolarHBondContact O-N 3.21Å; E956-K958 VanDerWaalsContact C-N 3.35Å; E956-K958 PolarHBondContact O-N 2.75Å; E956-V959 PolarHBondContact O-N 3.15Å; E956-E960 PolarHBondContact O-N 3.33Å
957	Q	50	Low	49.9	Very low	120 Å²	120	114.4 Å²	114.4	56%	0.561	54%	0.539	S	S	*	.	H	α-helix	trans	-63.8	-34.9	170.3	-72.8	175.9	33	0	0	112.9	E953 E961	E953-Q957 WeakPolarHBondContact O-CB 3.28Å; E953-Q957 WeakPolarHBondContact O-CG 3.49Å; E953-Q957 PolarHBondContact O-N 3.48Å; Q957-E961 VanDerWaalsContact O-CB 3.3Å; Q957-E961 WeakPolarHBondContact O-CB 3.16Å; Q957-E961 PolarHBondContact O-N 3.12Å
958	K	54.5	Low	50.6	Low	132 Å²	132	116.5 Å²	116.5	57%	0.574	54%	0.542	S	S	*	.	H	α-helix	trans	-67.3	-38	171.9	-93	174.4	-177.8	130.3	0	112.6	E954 Q955 E956 E961 E962	E954-K958 WeakPolarHBondContact O-CB 3.44Å; E954-K958 PolarHBondContact O-N 3.21Å; E954-K958 VanDerWaalsContact O-N 3.17Å; Q955-K958 PolarHBondContact O-N 3.38Å; E956-K958 VanDerWaalsContact C-N 3.35Å; E956-K958 PolarHBondContact O-N 2.75Å; K958-E961 PolarHBondContact O-N 2.95Å; K958-E962 PolarHBondContact O-N 3.12Å
959	V	65.6	Low	51.1	Low	81 Å²	81	113.6 Å²	113.6	49%	0.491	54%	0.541	S	S	.	.	H	α-helix	trans	-68	-43.1	176	170.1	0	0	0	0	110.6	Q955 E956 E962 Q963	Q955-V959 WeakPolarHBondContact O-CG2 3.29Å; Q955-V959 PolarHBondContact O-N 3.4Å; E956-V959 PolarHBondContact O-N 3.15Å; V959-E962 PolarHBondContact O-N 3Å; V959-Q963 WeakPolarHBondContact O-CB 3.31Å; V959-Q963 WeakPolarHBondContact O-CG 3.31Å; V959-Q963 PolarHBondContact O-N 2.67Å
960	E	59.6	Low	51.3	Low	123 Å²	123	113.2 Å²	113.2	58%	0.575	54%	0.542	S	S	*	.	H	α-helix	trans	-62.7	-41.9	171.5	-74.4	-165.5	138.3	0	0	111.9	E956 E962 Q963 L964	E956-E960 PolarHBondContact O-N 3.33Å; E960-E962 VanDerWaalsContact C-N 3.31Å; E960-E962 PolarHBondContact O-N 3.38Å; E960-Q963 PolarHBondContact O-N 2.78Å; E960-L964 VanDerWaalsContact O-CB 3.29Å; E960-L964 WeakPolarHBondContact O-CB 3.28Å; E960-L964 VanDerWaalsContact O-CG 3.27Å; E960-L964 WeakPolarHBondContact O-CG 3.25Å; E960-L964 PolarHBondContact O-N 3.07Å
961	E	59.5	Low	51.6	Low	116 Å²	116	117.2 Å²	117.2	54%	0.542	56%	0.559	S	S	.	*	H	α-helix	trans	-74.3	-18.4	178.9	-148.2	-153	-151	0	0	113.1	Q957 K958 K965	Q957-E961 VanDerWaalsContact O-CB 3.3Å; Q957-E961 WeakPolarHBondContact O-CB 3.16Å; Q957-E961 PolarHBondContact O-N 3.12Å; K958-E961 PolarHBondContact O-N 2.95Å; E961-K965 WeakPolarHBondContact O-CD 3.31Å; E961-K965 WeakPolarHBondContact O-CE 3.49Å; E961-K965 WeakPolarHBondContact O-CG 3.49Å; E961-K965 PolarHBondContact O-NZ 3.45Å; E961-K965 IonicContact OE1-NZ 3.62Å; E961-K965 IonicContact OE2-NZ 2.73Å; E961-K965 PolarHBondContact OE2-NZ 2.76Å
962	E	59.4	Low	51.6	Low	145 Å²	145	118.8 Å²	118.8	68%	0.678	57%	0.566	S	S	*	*	H	α-helix	trans	-83.1	-36.4	165.9	-74.7	-166	161.2	0	0	112	K958 V959 E960 K965 A966	K958-E962 PolarHBondContact O-N 3.12Å; V959-E962 PolarHBondContact O-N 3Å; E960-E962 VanDerWaalsContact C-N 3.31Å; E960-E962 PolarHBondContact O-N 3.38Å; E962-K965 CarbonylContact O-C 3.49Å; E962-K965 PolarHBondContact O-N 2.91Å; E962-K965 VanDerWaalsContact O-N 3.16Å; E962-A966 PolarHBondContact O-N 3.2Å
963	Q	55.4	Low	51.7	Low	113 Å²	113	118.8 Å²	118.8	53%	0.528	57%	0.573	S	S	.	*	H	α-helix	trans	-67.3	-42.9	174.2	-78.4	179.1	-52	0	0	112.3	V959 E960 K965 A966 D967	V959-Q963 WeakPolarHBondContact O-CB 3.31Å; V959-Q963 WeakPolarHBondContact O-CG 3.31Å; V959-Q963 PolarHBondContact O-N 2.67Å; E960-Q963 PolarHBondContact O-N 2.78Å; Q963-K965 PolarHBondContact O-N 2.63Å; Q963-K965 VanDerWaalsContact O-N 3.1Å; Q963-A966 WeakPolarHBondContact O-CA 3.37Å; Q963-A966 WeakPolarHBondContact O-CB 3.43Å; Q963-A966 PolarHBondContact O-N 3.26Å; Q963-D967 PolarHBondContact O-N 3.19Å
964	L	55	Low	51.8	Low	104 Å²	104	121.3 Å²	121.3	55%	0.545	59%	0.585	S	S	.	*	H	α-helix	trans	-65	-11.5	171.8	-71.1	166.8	0	0	0	113.8	E960 R968	E960-L964 VanDerWaalsContact O-CB 3.29Å; E960-L964 WeakPolarHBondContact O-CB 3.28Å; E960-L964 VanDerWaalsContact O-CG 3.27Å; E960-L964 WeakPolarHBondContact O-CG 3.25Å; E960-L964 PolarHBondContact O-N 3.07Å; L964-R968 WeakPolarHBondContact O-CD 3.42Å; L964-R968 WeakPolarHBondContact O-CG 3.43Å
965	K	56.7	Low	51.5	Low	107 Å²	107	122.1 Å²	122.1	47%	0.465	59%	0.593	S	S	.	*	H	α-helix	trans	-96.1	-25.1	168.8	-70.6	179.4	-158.4	101	0	112.7	E961 E962 Q963 V969	E961-K965 WeakPolarHBondContact O-CD 3.31Å; E961-K965 WeakPolarHBondContact O-CE 3.49Å; E961-K965 WeakPolarHBondContact O-CG 3.49Å; E961-K965 PolarHBondContact O-NZ 3.45Å; E961-K965 IonicContact OE1-NZ 3.62Å; E961-K965 IonicContact OE2-NZ 2.73Å; E961-K965 PolarHBondContact OE2-NZ 2.76Å; E962-K965 CarbonylContact O-C 3.49Å; E962-K965 PolarHBondContact O-N 2.91Å; E962-K965 VanDerWaalsContact O-N 3.16Å; Q963-K965 PolarHBondContact O-N 2.63Å; Q963-K965 VanDerWaalsContact O-N 3.1Å; K965-V969 WeakPolarHBondContact O-CG2 3.47Å
966	A	51.5	Low	51.2	Low	49 Å²	49	123.8 Å²	123.8	41%	0.405	60%	0.601	S	S	.	*	H	α-helix	trans	-73.2	-52.6	170.5	0	0	0	0	0	110.8	E962 Q963 R968 V969 D970	E962-A966 PolarHBondContact O-N 3.2Å; Q963-A966 WeakPolarHBondContact O-CA 3.37Å; Q963-A966 WeakPolarHBondContact O-CB 3.43Å; Q963-A966 PolarHBondContact O-N 3.26Å; A966-R968 PolarHBondContact O-N 2.71Å; A966-R968 VanDerWaalsContact O-N 3.15Å; A966-V969 PolarHBondContact O-N 3Å; A966-D970 PolarHBondContact O-N 3.28Å; A966-D970 VanDerWaalsContact O-N 3.11Å
967	D	51.7	Low	51	Low	92 Å²	92	125.7 Å²	125.7	49%	0.492	61%	0.614	S	S	.	*	H	α-helix	trans	-57.1	-34.5	179.7	-64.6	-11.7	0	0	0	111.6	Q963 D970 E971	Q963-D967 PolarHBondContact O-N 3.19Å; D967-D970 PolarHBondContact O-N 3.29Å; D967-E971 WeakPolarHBondContact O-CB 3.46Å; D967-E971 WeakPolarHBondContact O-CG 3.13Å; D967-E971 PolarHBondContact O-N 3.11Å
968	R	51.3	Low	50.4	Low	174 Å²	174	124 Å²	124	66%	0.657	62%	0.62	S	S	*	*	H	α-helix	trans	-72.6	-22.8	174.5	-81.5	-175.1	175.8	-176.3	2.2	115.4	L964 A966 E972	L964-R968 WeakPolarHBondContact O-CD 3.42Å; L964-R968 WeakPolarHBondContact O-CG 3.43Å; A966-R968 PolarHBondContact O-N 2.71Å; A966-R968 VanDerWaalsContact O-N 3.15Å; R968-E972 WeakPolarHBondContact O-CG 3.48Å; R968-E972 PolarHBondContact O-N 3.31Å
969	V	51.8	Low	49.4	Very low	91 Å²	91	127.1 Å²	127.1	55%	0.552	64%	0.637	S	S	*	*	H	α-helix	trans	-80.5	-35.1	173	170.3	0	0	0	0	109.9	K965 A966 E972 E973	K965-V969 WeakPolarHBondContact O-CG2 3.47Å; A966-V969 PolarHBondContact O-N 3Å; V969-E972 PolarHBondContact O-N 2.78Å; V969-E973 PolarHBondContact O-N 2.95Å
970	D	47.8	Very low	47.8	Very low	109 Å²	109	130.9 Å²	130.9	58%	0.583	65%	0.654	S	S	*	*	H	α-helix	trans	-70.9	-38.8	173.4	-69.2	-22.2	0	0	0	111.6	A966 D967 E972 E973 E974	A966-D970 PolarHBondContact O-N 3.28Å; A966-D970 VanDerWaalsContact O-N 3.11Å; D967-D970 PolarHBondContact O-N 3.29Å; D970-E972 VanDerWaalsContact C-N 3.33Å; D970-E972 PolarHBondContact O-N 3.48Å; D970-E973 PolarHBondContact O-N 3.44Å; D970-E974 PolarHBondContact O-N 2.95Å
971	E	47	Very low	46.5	Very low	144 Å²	144	133.1 Å²	133.1	67%	0.673	67%	0.665	S	S	*	*	H	α-helix	trans	-64.5	-30.8	172.3	-77	-172.9	158.1	0	0	113.1	D967 E973	D967-E971 WeakPolarHBondContact O-CB 3.46Å; D967-E971 WeakPolarHBondContact O-CG 3.13Å; D967-E971 PolarHBondContact O-N 3.11Å; E971-E973 VanDerWaalsContact C-N 3.34Å
972	E	43.4	Very low	45.2	Very low	150 Å²	150	133.5 Å²	133.5	70%	0.701	67%	0.67	S	S	*	*	H	α-helix	trans	-77.8	-11.1	175.7	-78.1	-174.1	-169.6	0	0	114.1	R968 V969 D970 Q976	R968-E972 WeakPolarHBondContact O-CG 3.48Å; R968-E972 PolarHBondContact O-N 3.31Å; V969-E972 PolarHBondContact O-N 2.78Å; D970-E972 VanDerWaalsContact C-N 3.33Å; D970-E972 PolarHBondContact O-N 3.48Å; E972-Q976 PolarHBondContact O-NE2 3.01Å; E972-Q976 VanDerWaalsContact O-NE2 3.14Å
973	E	44.4	Very low	43.8	Very low	151 Å²	151	134.9 Å²	134.9	71%	0.706	67%	0.674	S	S	*	*	H	α-helix	trans	-95.2	-28.7	171.5	-72	-150.4	155.8	0	0	114.5	V969 D970 E971	V969-E973 PolarHBondContact O-N 2.95Å; D970-E973 PolarHBondContact O-N 3.44Å; E971-E973 VanDerWaalsContact C-N 3.34Å
974	E	44.4	Very low	42.7	Very low	172 Å²	172	137.6 Å²	137.6	80%	0.804	69%	0.689	S	S	*	*	H	α-helix	trans	-76.7	-29.2	177.6	-71.3	-147.8	128.1	0	0	114	D970 Q976	D970-E974 PolarHBondContact O-N 2.95Å; E974-Q976 PolarHBondContact O-N 3.26Å
975	D	38.1	Very low	41.4	Very low	145 Å²	145	140.1 Å²	140.1	78%	0.775	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	9.2	-174.6	-129.2	14.7	0	0	0	114.6
976	Q	38.6	Very low	40	Very low	155 Å²	155	138.5 Å²	138.5	72%	0.724	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	8.4	177.7	-75.4	179.5	71	0	0	114.7	E972 E974	E972-Q976 PolarHBondContact O-NE2 3.01Å; E972-Q976 VanDerWaalsContact O-NE2 3.14Å; E974-Q976 PolarHBondContact O-N 3.26Å
977	L	44.7	Very low	38.9	Very low	167 Å²	167	140 Å²	140	87%	0.874	74%	0.737	S	S	*	*	S	Bend	trans	-128.2	28.4	-175.1	-72.2	175.3	0	0	0	115.5
978	A	37.7	Very low	37.8	Very low	83 Å²	83	139.9 Å²	139.9	69%	0.686	76%	0.757	S	S	*	*	S	Bend	trans	-134.4	6.4	-174.2	0	0	0	0	0	118.7
979	E	33.9	Very low	36.7	Very low	199 Å²	199	135.3 Å²	135.3	93%	0.93	77%	0.765	S	S	*	*			trans	-122.7	98.9	172.9	-75.6	-151.3	151.6	0	0	114.3
980	D	31.2	Very low	35.6	Very low	159 Å²	159	139.5 Å²	139.5	85%	0.85	78%	0.778	S	S	*	*			trans	-156.6	75.3	149.4	-161.2	11.1	0	0	0	112.1
981	E	31.9	Very low	34.7	Very low	171 Å²	171	140.7 Å²	140.7	80%	0.799	78%	0.784	S	S	*	*	S	Bend	trans	-167.5	107.9	138.6	-109	-167.9	167.2	0	0	114.6
982	L	33.2	Very low	33.8	Very low	124 Å²	124	141.8 Å²	141.8	65%	0.649	79%	0.789	S	S	*	*			trans	55.1	99.4	136.9	-63.2	169	0	0	0	122.3
983	K	30.6	Very low	33.1	Very low	173 Å²	173	143.5 Å²	143.5	75%	0.752	80%	0.797	S	S	*	*				49.7	124.1	124.4	-59.1	171.3	-174.7	165.6	0	120.3
984	M	30.8	Very low	32.3	Very low	170 Å²	170	141.3 Å²	141.3	84%	0.837	80%	0.799	S	S	*	*				-177	177	98.4	-97.2	-52	-159.7	0	0	112.7
985	D	29.4	Very low	32.3	Very low	157 Å²	157	138.7 Å²	138.7	84%	0.84	80%	0.797	S	S	*	*			trans	-35.9	150.9	168.8	-80.6	-45.1	0	0	0	114.8
986	G	27.3	Very low	31.8	Very low	73 Å²	73	134.8 Å²	134.8	75%	0.753	79%	0.791	S	S	*	*			cis	120.4	127.1	13.2	0	0	0	0	0	111.4
987	G	28.2	Very low	32.4	Very low	82 Å²	82	132.9 Å²	132.9	85%	0.845	79%	0.792	S	S	*	*			trans	126.1	120.5	176.4	0	0	0	0	0	114.2
988	G	28.5	Very low	31.7	Very low	88 Å²	88	131.9 Å²	131.9	91%	0.907	79%	0.787	S	S	*	*			trans	-88.6	143.8	165.4	0	0	0	0	0	111
989	G	28.5	Very low	31.3	Very low	79 Å²	79	134.7 Å²	134.7	81%	0.814	79%	0.789	S	S	*	*			trans	-146.9	119.2	-175.2	0	0	0	0	0	112.4
990	Q	28.5	Very low	31	Very low	178 Å²	178	131.6 Å²	131.6	83%	0.832	78%	0.784	S	S	*	*			trans	-64.4	178.4	-176.3	-55.3	163.7	-56.4	0	0	114.6
991	N	27.6	Very low	31.4	Very low	135 Å²	135	131.5 Å²	131.5	72%	0.722	78%	0.783	S	S	*	*			trans	74.9	152.3	154.9	-67.3	6.3	0	0	0	117.4
992	E	29.2	Very low	31.9	Very low	166 Å²	166	129.5 Å²	129.5	78%	0.776	79%	0.785	S	S	*	*			cis	-163.5	-170.5	-29.3	-151.9	179.3	173.7	0	0	107.4
993	E	28	Very low	32	Very low	186 Å²	186	127.6 Å²	127.6	87%	0.869	79%	0.787	S	S	*	*			trans	73.7	158.9	162.2	-65.7	-162.6	124.9	0	0	120.3
994	S	28.9	Very low	32.4	Very low	106 Å²	106	127.2 Å²	127.2	74%	0.741	79%	0.792	S	S	*	*			trans	-111.3	-173.7	-170.6	68	0	0	0	0	108.9
995	P	43	Very low	33.3	Very low	117 Å²	117	124.3 Å²	124.3	76%	0.76	79%	0.786	S	S	*	*			cis	-134.4	-167.6	5.1	38.4	-16.9	0	0	0	114.2
996	G	28.3	Very low	33.8	Very low	63 Å²	63	124.3 Å²	124.3	65%	0.649	79%	0.785	S	S	*	*			trans	-79.5	-161.7	162.2	0	0	0	0	0	112.7
997	P	52.2	Low	34.2	Very low	115 Å²	115	127.8 Å²	127.8	75%	0.747	79%	0.786	S	S	*	*			cis	-145.4	-166.8	10.8	41	-19.2	0	0	0	116.2
998	L	29.2	Very low	34.5	Very low	146 Å²	146	134.3 Å²	134.3	76%	0.764	79%	0.785	S	S	*	*			trans	77.7	115.9	155.1	-63.8	170	0	0	0	122.6
999	L	29.6	Very low	35.2	Very low	141 Å²	141	134 Å²	134	74%	0.738	77%	0.774	S	S	*	*				81.9	133.4	127	-66.6	172.5	0	0	0	124.9
1000	T	26.4	Very low	35.8	Very low	134 Å²	134	136.9 Å²	136.9	82%	0.822	78%	0.776	S	S	*	*			trans	91.6	135.8	139.8	32.4	0	0	0	0	124.5
1001	L	39.6	Very low	36.4	Very low	158 Å²	158	133.1 Å²	133.1	83%	0.827	77%	0.769	S	S	*	*			trans	-68.4	163.3	173	-77.5	149.7	0	0	0	114.5
1002	P	42.6	Very low	37	Very low	128 Å²	128	133.7 Å²	133.7	83%	0.831	77%	0.772	S	S	*	*				-141.3	-169.7	103.4	37	-21.6	0	0	0	114.7
1003	A	35.5	Very low	37.4	Very low	85 Å²	85	132.9 Å²	132.9	70%	0.702	77%	0.768	S	S	*	*			trans	-150.4	177.4	-166.1	0	0	0	0	0	116.2
1004	L	39.7	Very low	37.8	Very low	165 Å²	165	130.4 Å²	130.4	86%	0.864	76%	0.76	S	S	*	*			trans	79.3	165.8	171.5	-54.4	177.2	0	0	0	116.3
1005	P	50.3	Low	38.4	Very low	108 Å²	108	132.4 Å²	132.4	70%	0.701	76%	0.758	S	S	*	*			cis	-145.1	153.5	11.3	41.9	-21.6	0	0	0	121.5
1006	L	38.2	Very low	38.8	Very low	157 Å²	157	132.6 Å²	132.6	82%	0.822	76%	0.759	S	S	*	*			trans	51.8	155.1	133.4	-63.4	170	0	0	0	127.1
1007	L	36	Very low	39.1	Very low	146 Å²	146	132.1 Å²	132.1	76%	0.764	75%	0.749	S	S	*	*			trans	89.5	152.9	160.8	-55.9	174.9	0	0	0	118.9
1008	R	35.7	Very low	38.2	Very low	219 Å²	219	132.2 Å²	132.2	83%	0.826	74%	0.744	S	S	*	*			cis	-169.8	111.8	-30.7	175.2	-171.3	-93.7	174.4	-6.4	113
1009	A	43.2	Very low	38.4	Very low	83 Å²	83	132 Å²	132	69%	0.686	74%	0.736	S	S	*	*			trans	38.6	159.1	142.8	0	0	0	0	0	126.8
1010	T	40.3	Very low	38.2	Very low	139 Å²	139	131.1 Å²	131.1	85%	0.853	74%	0.742	S	S	*	*			trans	87.5	149.2	158.6	66.2	0	0	0	0	119.8
1011	S	40.3	Very low	38.3	Very low	99 Å²	99	130.5 Å²	130.5	69%	0.692	73%	0.73	S	S	*	*			cis	-173.9	176.7	-28.4	-163.1	0	0	0	0	111.4
1012	L	41.4	Very low	37.6	Very low	147 Å²	147	132 Å²	132	77%	0.77	73%	0.733	S	S	*	*			trans	69.4	163.5	171.9	-51.1	171.8	0	0	0	115.1
1013	Q	37.8	Very low	37.2	Very low	149 Å²	149	134.5 Å²	134.5	70%	0.696	74%	0.737	S	S	*	*			cis	-159.2	176.3	-7	-129.3	168.4	-80.9	0	0	107.1
1014	D	36.3	Very low	36.7	Very low	133 Å²	133	135.5 Å²	135.5	71%	0.711	74%	0.739	S	S	*	*			cis	-159.1	-171.1	0.3	-150.4	-25.1	0	0	0	109.8
1015	Q	40.9	Very low	36.1	Very low	149 Å²	149	134.6 Å²	134.6	70%	0.696	73%	0.733	S	S	*	*			trans	-151.6	168.9	171	-144.7	-162.9	66.1	0	0	114.5	A1017	Q1015-A1017 VanDerWaalsContact OE1-CA 3.27Å
1016	P	51.5	Low	34.9	Very low	120 Å²	120	134.8 Å²	134.8	78%	0.779	74%	0.737	S	S	*	*				-145.3	167.9	110.5	37.9	-24.8	0	0	0	115
1017	A	34.3	Very low	34.4	Very low	53 Å²	53	135.9 Å²	135.9	44%	0.438	74%	0.738	S	S	.	*			cis	-178.1	166.9	-28	0	0	0	0	0	109.1	Q1015	Q1015-A1017 VanDerWaalsContact OE1-CA 3.27Å
1018	N	34.1	Very low	34.1	Very low	118 Å²	118	137 Å²	137	63%	0.631	75%	0.745	S	S	*	*			trans	76.1	154	167.4	-43.2	-81.5	0	0	0	116
1019	K	33.3	Very low	33.6	Very low	140 Å²	140	132 Å²	132	61%	0.609	74%	0.738	S	S	*	*			cis	-164.5	174	-21.3	-110.3	165.1	-177.8	60.1	0	107.1	E1021	K1019-E1021 WeakPolarHBondContact CE-OE2 3.08Å; K1019-E1021 HydrophobicContact CG-CG 3.9Å; K1019-E1021 IonicContact NZ-OE1 3.49Å; K1019-E1021 PolarHBondContact NZ-OE1 3.15Å; K1019-E1021 IonicContact NZ-OE2 3.77Å; K1019-E1021 PolarHBondContact NZ-OE2 3.05Å
1020	S	24.8	Very low	32.8	Very low	123 Å²	123	139.1 Å²	139.1	86%	0.86	75%	0.747	S	S	*	*	S	Bend	cis	-98.1	155.7	7.3	50.5	0	0	0	0	114.2
1021	E	28	Very low	32.1	Very low	122 Å²	122	136.6 Å²	136.6	57%	0.57	74%	0.736	S	S	*	*			trans	-129.3	154.3	-164.3	-62	154.6	176	0	0	111.4	K1019	K1019-E1021 WeakPolarHBondContact CE-OE2 3.08Å; K1019-E1021 HydrophobicContact CG-CG 3.9Å; K1019-E1021 IonicContact NZ-OE1 3.49Å; K1019-E1021 PolarHBondContact NZ-OE1 3.15Å; K1019-E1021 IonicContact NZ-OE2 3.77Å; K1019-E1021 PolarHBondContact NZ-OE2 3.05Å
1022	E	25.6	Very low	31.4	Very low	190 Å²	190	138.1 Å²	138.1	89%	0.888	74%	0.74	S	S	*	*				-170.9	137.5	111.5	-101.7	-178.7	-175	0	0	110.4
1023	I	33.6	Very low	30.7	Very low	179 Å²	179	135.9 Å²	135.9	92%	0.918	74%	0.737	S	S	*	*			trans	-140.2	141.6	-176.7	-69	-179.8	0	0	0	110
1024	S	25.2	Very low	30	Very low	107 Å²	107	135.2 Å²	135.2	75%	0.748	74%	0.737	S	S	*	*			trans	-161.8	140.6	-178.6	177.6	0	0	0	0	111.9
1025	I	27	Very low	29.3	Very low	145 Å²	145	135.1 Å²	135.1	74%	0.744	73%	0.733	S	S	*	*			cis	-164.5	161.1	-20.3	-165	162.8	0	0	0	110
1026	S	26.6	Very low	28.4	Very low	112 Å²	112	135.4 Å²	135.4	78%	0.783	73%	0.731	S	S	*	*			trans	78.3	164.3	157.9	79.4	0	0	0	0	120.4
1027	Q	26.9	Very low	27	Very low	180 Å²	180	136.4 Å²	136.4	84%	0.841	73%	0.726	S	S	*	*			trans	-102.6	153.9	-174.5	-56.4	163.9	-27.3	0	0	111.2
1028	L	30.6	Very low	26.5	Very low	171 Å²	171	140.8 Å²	140.8	90%	0.895	74%	0.741	S	S	*	*			trans	-156.8	171.2	142.1	-114	168.1	0	0	0	111.1
1029	T	23.2	Very low	26.1	Very low	113 Å²	113	140.1 Å²	140.1	69%	0.693	75%	0.746	S	S	*	*			trans	-131.7	166.4	-161.2	63.2	0	0	0	0	113.4
1030	R	27.7	Very low	25.7	Very low	232 Å²	232	141.7 Å²	141.7	88%	0.875	75%	0.749	S	S	*	*			trans	72.8	151.5	161.1	-75	-167.6	156.5	176	-7.6	117.5
1031	S	26.2	Very low	25.7	Very low	87 Å²	87	142.2 Å²	142.2	61%	0.608	75%	0.747	S	S	*	*			cis	-176.4	147	-18.9	53.2	0	0	0	0	113.5
1032	V	25.6	Very low	25.7	Very low	131 Å²	131	141.9 Å²	141.9	79%	0.794	75%	0.749	S	S	*	*			trans	68.8	160.9	134.2	165.5	0	0	0	0	118.5
1033	S	24.9	Very low	25.7	Very low	99 Å²	99	138.5 Å²	138.5	69%	0.692	74%	0.742	S	S	*	*			trans	77.8	153	167	-75.3	0	0	0	0	117.8
1034	L	23.8	Very low	25.4	Very low	135 Å²	135	134.7 Å²	134.7	71%	0.707	73%	0.73	S	S	*	*			cis	172.6	155.6	-33.7	-115.6	160.6	0	0	0	105.9
1035	E	22.6	Very low	25.5	Very low	132 Å²	132	136.2 Å²	136.2	62%	0.617	73%	0.73	S	S	*	*			trans	65.4	144	155.7	-88	-176.1	129.6	0	0	117.2
1036	K	21.5	Very low	25.5	Very low	154 Å²	154	136.7 Å²	136.7	67%	0.67	73%	0.729	S	S	*	*				44.6	144	105.9	-59.5	178.5	-177.5	153.8	0	115.9
1037	Q	22.4	Very low	25.5	Very low	141 Å²	141	138.8 Å²	138.8	66%	0.659	73%	0.726	S	S	*	*			cis	-177	153.3	-11.3	-114.2	177.4	-68.3	0	0	105.6
1038	L	23.8	Very low	25.4	Very low	145 Å²	145	135.7 Å²	135.7	76%	0.759	72%	0.719	S	S	*	*			trans	61	177.9	157.9	-58.2	162	0	0	0	112.4
1039	S	24.8	Very low	25.2	Very low	105 Å²	105	138 Å²	138	73%	0.734	72%	0.717	S	S	*	*			cis	-151.2	171.5	10.9	55.2	0	0	0	0	107
1040	Y	24.7	Very low	25.3	Very low	172 Å²	172	138.2 Å²	138.2	68%	0.675	71%	0.714	S	S	*	*			cis	-149.8	166.1	-10	-135.4	-131.3	0	0	0	103.8	D1042	Y1040-D1042 HydrophobicContact CE1-CB 4.03Å
1041	T	25.6	Very low	25.2	Very low	134 Å²	134	132.7 Å²	132.7	82%	0.822	70%	0.702	S	S	*	*				-147.7	164.8	52.9	47.6	0	0	0	0	112.9
1042	D	26.8	Very low	25.1	Very low	115 Å²	115	133.9 Å²	133.9	62%	0.615	71%	0.706	S	S	*	*			trans	-112.8	-165.8	-162.4	-167.3	8	0	0	0	112.3	Y1040	Y1040-D1042 HydrophobicContact CE1-CB 4.03Å
1043	T	25.5	Very low	25.1	Very low	119 Å²	119	134.7 Å²	134.7	73%	0.73	70%	0.703	S	S	*	*			trans	81	131.8	174.8	67.5	0	0	0	0	115.6
1044	C	27.6	Very low	25.1	Very low	99 Å²	99	136.7 Å²	136.7	67%	0.669	70%	0.703	S	S	*	*			cis	-164.4	152.3	0.7	-100.3	0	0	0	0	107
1045	D	27.7	Very low	25.6	Very low	139 Å²	139	139.3 Å²	139.3	74%	0.743	71%	0.708	S	S	*	*			cis	-141.9	-142.3	-7.4	-77.3	-49.1	0	0	0	107.3
1046	E	26.9	Very low	25.7	Very low	155 Å²	155	140.6 Å²	140.6	72%	0.724	71%	0.714	S	S	*	*			cis	-162.2	-161.8	5.2	-140.5	-121.7	81	0	0	111.3
1047	H	27.5	Very low	26.2	Very low	156 Å²	156	142.3 Å²	142.3	72%	0.722	72%	0.722	S	S	*	*			trans	-88.9	144.4	-171.3	-64	-60.5	0	0	0	113.9
1048	V	23.3	Very low	26.3	Very low	115 Å²	115	145.2 Å²	145.2	70%	0.697	73%	0.727	S	S	*	*				59.2	101.8	72.3	-177.1	0	0	0	0	115.1
1049	Y	26.8	Very low	26.6	Very low	219 Å²	219	146.8 Å²	146.8	86%	0.859	73%	0.73	S	S	*	*			trans	-178.6	109.3	134.3	-96.8	-72.3	0	0	0	105.8
1050	D	25.2	Very low	26.8	Very low	118 Å²	118	149.5 Å²	149.5	63%	0.631	74%	0.735	S	S	*	*			cis	95.3	144.7	44	-174.1	41.7	0	0	0	113.5
1051	N	26	Very low	27.1	Very low	116 Å²	116	150.8 Å²	150.8	62%	0.62	74%	0.74	S	S	*	*			trans	83.9	124.2	-178.5	-59.2	-81.8	0	0	0	117.5
1052	V	25.3	Very low	27.1	Very low	113 Å²	113	152.4 Å²	152.4	69%	0.685	74%	0.738	S	S	*	*			cis	86	127.5	44.5	167	0	0	0	0	110.2
1053	M	24	Very low	27.2	Very low	147 Å²	147	153.8 Å²	153.8	72%	0.724	75%	0.745	S	S	*	*			cis	-159.6	177.8	16.3	-141.1	173.5	-152	0	0	113.1
1054	M	26.1	Very low	27.4	Very low	142 Å²	142	155.3 Å²	155.3	70%	0.7	75%	0.754	S	S	*	*			trans	59.2	127.1	153.2	-66.4	-47.4	172.5	0	0	118.8
1055	K	33	Very low	27.3	Very low	189 Å²	189	154.1 Å²	154.1	82%	0.822	76%	0.759	S	S	*	*				50	104.1	53.9	-76.7	-171.7	175.7	177.1	0	115.1
1056	E	24.5	Very low	27.5	Very low	159 Å²	159	156.6 Å²	156.6	74%	0.743	77%	0.766	S	S	*	*				-150.7	153.4	128	-116.8	-157.9	126.5	0	0	113.5	R1058	E1056-R1058 IonicContact OE1-CZ 2.67Å; E1056-R1058 IonicContact OE1-NE 3.05Å; E1056-R1058 IonicContact OE1-NH2 2.7Å; E1056-R1058 PolarHBondContact OE1-NH2 3.06Å; E1056-R1058 IonicContact OE2-NH2 2.72Å
1057	K	32.1	Very low	27.5	Very low	190 Å²	190	156.5 Å²	156.5	83%	0.826	77%	0.769	S	S	*	*			trans	-100.7	147.5	165	-60.4	-179.8	-176.5	-176.3	0	108
1058	R	24.5	Very low	27.5	Very low	202 Å²	202	159 Å²	159	76%	0.762	77%	0.772	S	S	*	*			trans	-165.9	138.6	137.4	-113.6	169.1	-88.9	-162	1.1	112.8	E1056	E1056-R1058 IonicContact OE1-CZ 2.67Å; E1056-R1058 IonicContact OE1-NE 3.05Å; E1056-R1058 IonicContact OE1-NH2 2.7Å; E1056-R1058 PolarHBondContact OE1-NH2 3.06Å; E1056-R1058 IonicContact OE2-NH2 2.72Å
1059	H	31.9	Very low	27.9	Very low	179 Å²	179	159.3 Å²	159.3	83%	0.829	77%	0.77	S	S	*	*			trans	-87.9	167.3	163.1	-59.8	-91.8	0	0	0	109.8
1060	I	27.2	Very low	28.1	Very low	162 Å²	162	153.6 Å²	153.6	83%	0.831	77%	0.768	S	S	*	*			trans	-158.6	159.9	148.3	-101	144.7	0	0	0	108.8
1061	Y	31.5	Very low	28.3	Very low	198 Å²	198	154.1 Å²	154.1	78%	0.776	78%	0.776	S	S	*	*			trans	-77.3	-176.3	-175	-68.1	-125	0	0	0	111.4
1062	E	26.9	Very low	29.3	Very low	168 Å²	168	153.9 Å²	153.9	79%	0.785	78%	0.78	S	S	*	*			cis	-156.2	-158.5	13.9	-153.1	138.9	-141.3	0	0	113.5
1063	N	28.7	Very low	29.5	Very low	145 Å²	145	155.1 Å²	155.1	78%	0.775	78%	0.783	S	S	*	*			trans	-99.2	177.9	-163.1	-91.7	-49.7	0	0	0	117
1064	V	29.1	Very low	29.8	Very low	151 Å²	151	154.3 Å²	154.3	92%	0.915	78%	0.781	S	S	*	*			trans	93.5	129.3	154.5	-167.9	0	0	0	0	118.6
1065	G	26.2	Very low	29.8	Very low	74 Å²	74	154.7 Å²	154.7	76%	0.763	78%	0.784	S	S	*	*			trans	159.2	115.1	158.1	0	0	0	0	0	116.3
1066	E	30.6	Very low	29.6	Very low	191 Å²	191	153.1 Å²	153.1	89%	0.893	78%	0.784	S	S	*	*			trans	-107.2	-177.6	166.5	-77.7	-164.4	111.6	0	0	111.8
1067	L	26.5	Very low	29.7	Very low	153 Å²	153	149.3 Å²	149.3	80%	0.801	78%	0.78	S	S	*	*			trans	91.5	133.7	173.3	-54.3	160.6	0	0	0	114.3
1068	R	28.7	Very low	29.4	Very low	208 Å²	208	147 Å²	147	79%	0.785	78%	0.782	S	S	*	*			cis	67.5	145.5	47.3	-69.9	-175.9	172.8	-99.1	7.5	112.6
1069	D	31.6	Very low	29.8	Very low	122 Å²	122	146.8 Å²	146.8	65%	0.652	79%	0.786	S	S	*	*			cis	-160.5	172.2	-2.8	-121.5	-46.3	0	0	0	107.6
1070	A	29.9	Very low	30.2	Very low	98 Å²	98	143.8 Å²	143.8	81%	0.81	78%	0.783	S	S	*	*			trans	-170.2	128.6	151	0	0	0	0	0	114.9
1071	T	31.2	Very low	30	Very low	129 Å²	129	145.7 Å²	145.7	79%	0.791	79%	0.785	S	S	*	*			trans	-102.4	174.1	172.2	-15.1	0	0	0	0	111.7
1072	P	46.5	Very low	30	Very low	111 Å²	111	142.3 Å²	142.3	72%	0.721	79%	0.785	S	S	*	*				-141.9	179.8	103	42.1	-29.1	0	0	0	111.5
1073	D	28.5	Very low	30.2	Very low	140 Å²	140	139.6 Å²	139.6	75%	0.749	78%	0.782	S	S	*	*			cis	-163.6	162.1	4.2	-132.2	27.3	0	0	0	106.5
1074	L	30.3	Very low	30.7	Very low	130 Å²	130	137.8 Å²	137.8	68%	0.681	78%	0.778	S	S	*	*			cis	-161.3	170.6	-21.1	-135	-177.4	0	0	0	106.8
1075	I	27.4	Very low	30.6	Very low	149 Å²	149	138.7 Å²	138.7	76%	0.764	77%	0.772	S	S	*	*			trans	55.1	174.2	173.3	52.7	172	0	0	0	115.6
1076	L	28.8	Very low	30.6	Very low	156 Å²	156	142.1 Å²	142.1	82%	0.817	77%	0.773	S	S	*	*			cis	-132.5	-151.4	1.6	-141.2	175.8	0	0	0	109.7
1077	A	26.4	Very low	30.3	Very low	80 Å²	80	141 Å²	141	66%	0.661	77%	0.768	S	S	*	*			trans	-150.9	160	-172.4	0	0	0	0	0	113.4
1078	V	26	Very low	30.3	Very low	141 Å²	141	140.4 Å²	140.4	86%	0.855	76%	0.761	S	S	*	*			trans	156.9	134.4	139.8	159	0	0	0	0	111.8
1079	K	30.9	Very low	30	Very low	197 Å²	197	140.1 Å²	140.1	86%	0.857	77%	0.766	S	S	*	*			trans	-120.9	161.7	155.6	-89.3	-173.5	176	-179.5	0	106.2
1080	P	41.8	Very low	29.7	Very low	117 Å²	117	141.3 Å²	141.3	76%	0.76	77%	0.769	S	S	*	*			cis	-144.2	-155.2	24.1	42.6	-21.5	0	0	0	114.7
1081	K	22.1	Very low	29.4	Very low	201 Å²	201	141.8 Å²	141.8	87%	0.874	77%	0.773	S	S	*	*			trans	118.3	147.3	138.5	-129.7	176.2	-176.4	-176.7	0	118.6
1082	V	31.9	Very low	29.1	Very low	128 Å²	128	140 Å²	140	78%	0.776	77%	0.772	S	S	*	*			trans	-116.9	146.6	-178.9	173.7	0	0	0	0	106
1083	P	31.1	Very low	28.1	Very low	110 Å²	110	141.2 Å²	141.2	71%	0.714	77%	0.772	S	S	*	*				-147.6	-142.9	61.9	40.1	-15.4	0	0	0	111.9
1084	P	40.2	Very low	28	Very low	107 Å²	107	143.7 Å²	143.7	70%	0.695	78%	0.776	S	S	*	*			cis	-109.6	174.3	-27.5	10	16.3	0	0	0	112.4
1085	E	25.1	Very low	27.8	Very low	170 Å²	170	140.7 Å²	140.7	79%	0.794	78%	0.777	S	S	*	*				73.7	115.6	56.6	-54.5	179.1	152.1	0	0	116.9
1086	D	26.3	Very low	27.8	Very low	146 Å²	146	141.5 Å²	141.5	78%	0.781	78%	0.777	S	S	*	*			trans	76.6	151.9	133.8	-66	-7.3	0	0	0	127.5
1087	E	24.8	Very low	27.8	Very low	169 Å²	169	139.3 Å²	139.3	79%	0.79	77%	0.766	S	S	*	*			trans	58.3	126.8	164.9	-69.5	177	-178.6	0	0	120
1088	Q	25.9	Very low	27.8	Very low	140 Å²	140	142.6 Å²	142.6	65%	0.654	77%	0.766	S	S	*	*			cis	99.6	118.8	33.8	-179.3	-178.6	72.7	0	0	113
1089	F	23.1	Very low	27.7	Very low	202 Å²	202	140.6 Å²	140.6	89%	0.886	76%	0.764	S	S	*	*			trans	-165.2	105.7	149.5	-108.6	-83.5	0	0	0	106.6
1090	M	25	Very low	27.4	Very low	147 Å²	147	136.4 Å²	136.4	72%	0.724	76%	0.76	S	S	*	*				62.5	106.1	81.7	-73.8	-69.3	-169.4	0	0	114.6
1091	A	24.9	Very low	26.7	Very low	107 Å²	107	135.5 Å²	135.5	88%	0.884	76%	0.762	S	S	*	*			trans	-141.7	139.4	152.8	0	0	0	0	0	107.1
1092	A	24.3	Very low	26.9	Very low	93 Å²	93	130.7 Å²	130.7	77%	0.769	75%	0.753	S	S	*	*			trans	-143.1	163.2	-168.2	0	0	0	0	0	113.3
1093	D	25.2	Very low	26.5	Very low	135 Å²	135	131.4 Å²	131.4	72%	0.722	75%	0.753	S	S	*	*			trans	88.4	159.7	148.9	-139.1	-6.5	0	0	0	119.8
1094	F	26.8	Very low	26.2	Very low	192 Å²	192	131.5 Å²	131.5	84%	0.842	76%	0.756	S	S	*	*			trans	72.4	127.3	-179.3	-52.7	-77.5	0	0	0	117.7
1095	G	25	Very low	25.5	Very low	67 Å²	67	131.1 Å²	131.1	69%	0.691	76%	0.756	S	S	*	*			cis	152.3	124.8	-14.2	0	0	0	0	0	115.4
1096	E	28.9	Very low	25.5	Very low	166 Å²	166	130.6 Å²	130.6	78%	0.776	76%	0.758	S	S	*	*			trans	62.1	154.7	154.1	-64	-162.4	125.3	0	0	119.2	K1098	E1096-K1098 IonicContact OE1-NZ 3.92Å; E1096-K1098 PolarHBondContact OE1-NZ 3.39Å
1097	D	27.4	Very low	25.4	Very low	110 Å²	110	129.2 Å²	129.2	59%	0.588	76%	0.76	S	S	*	*			cis	-147.4	161.2	3.8	-139.9	9.5	0	0	0	121.2
1098	K	26.8	Very low	25.5	Very low	150 Å²	150	126.4 Å²	126.4	65%	0.652	76%	0.758	S	S	*	*			trans	-14.5	146.8	165.7	-65.8	156.6	-157.2	82.5	0	121.6	E1096	E1096-K1098 IonicContact OE1-NZ 3.92Å; E1096-K1098 PolarHBondContact OE1-NZ 3.39Å
1099	A	24.5	Very low	25.5	Very low	99 Å²	99	124.4 Å²	124.4	82%	0.818	76%	0.76	S	S	*	*				-153.7	130.2	123.7	0	0	0	0	0	114.1
1100	S	25.3	Very low	25.6	Very low	109 Å²	109	125.1 Å²	125.1	76%	0.762	76%	0.757	S	S	*	*			trans	-41.3	148.4	168.7	42.9	0	0	0	0	117.1
1101	A	25.6	Very low	25.7	Very low	97 Å²	97	125 Å²	125	80%	0.802	76%	0.759	S	S	*	*				67.9	142.7	57.3	0	0	0	0	0	113.7
1102	S	26.7	Very low	26.3	Very low	100 Å²	100	124.6 Å²	124.6	70%	0.699	75%	0.749	S	S	*	*			cis	-160.9	-156.9	-6.5	53	0	0	0	0	110.2
1103	D	24.5	Very low	27.1	Very low	144 Å²	144	125.9 Å²	125.9	77%	0.77	75%	0.753	S	S	*	*			trans	74.9	152.4	161.6	-66.9	28.6	0	0	0	118.1
1104	S	24.2	Very low	27.8	Very low	111 Å²	111	124.1 Å²	124.1	78%	0.776	75%	0.746	S	S	*	*			cis	-159.9	-180	-19.6	54.9	0	0	0	0	110.3
1105	S	25.5	Very low	28.4	Very low	100 Å²	100	120.2 Å²	120.2	70%	0.699	73%	0.734	S	S	*	*			trans	-86.4	156.9	-176.3	58.2	0	0	0	0	115
1106	L	25.6	Very low	29.1	Very low	159 Å²	159	127.7 Å²	127.7	83%	0.832	74%	0.742	S	S	*	*				175.9	148	124.7	-100.1	165.4	0	0	0	117.5
1107	S	24.4	Very low	29.6	Very low	117 Å²	117	122.5 Å²	122.5	82%	0.818	73%	0.727	S	S	*	*			trans	77.6	172.9	145.5	79.5	0	0	0	0	120.8
1108	S	26.1	Very low	30.2	Very low	109 Å²	109	121.5 Å²	121.5	76%	0.762	72%	0.719	S	S	*	*			trans	-152.9	158.5	-156	177.2	0	0	0	0	113.7
1109	S	25.1	Very low	31	Very low	99 Å²	99	122.1 Å²	122.1	69%	0.692	72%	0.717	S	S	*	*			trans	70.8	142.8	176.7	80.2	0	0	0	0	114.8
1110	R	26.7	Very low	32.1	Very low	216 Å²	216	122.7 Å²	122.7	82%	0.815	71%	0.707	S	S	*	*			cis	-155.6	157.6	40.1	-71.1	-177	173.9	-168.4	-4	114.9
1111	L	26.8	Very low	33	Very low	146 Å²	146	120.8 Å²	120.8	76%	0.764	69%	0.693	S	S	*	*			trans	63.6	102.4	142.3	-70.6	165.2	0	0	0	121.7
1112	S	36.5	Very low	33.9	Very low	98 Å²	98	123 Å²	123	69%	0.685	68%	0.681	S	S	*	*				64.3	145.2	128	64.2	0	0	0	0	123
1113	S	42.4	Very low	34.9	Very low	120 Å²	120	121 Å²	121	84%	0.839	67%	0.67	S	S	*	*			trans	91	19	160.7	78.7	0	0	0	0	121
1114	V	38.7	Very low	36.1	Very low	97 Å²	97	119.5 Å²	119.5	59%	0.588	66%	0.661	S	S	*	*			trans	-130.1	51.7	177.1	-161.2	0	0	0	0	114.3	A1117	V1114-A1117 HydrophobicContact CG1-CB 4.01Å
1115	D	39.6	Very low	37.3	Very low	110 Å²	110	117.6 Å²	117.6	59%	0.588	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-21.7	-174.8	-139.3	-51.1	0	0	0	114.9	R1119	D1115-R1119 PolarHBondContact O-NE 3.06Å; D1115-R1119 VanDerWaalsContact O-NE 3.07Å; D1115-R1119 IonicContact OD1-CZ 3.48Å; D1115-R1119 IonicContact OD1-NE 3.45Å; D1115-R1119 PolarHBondContact OD1-NE 3.32Å; D1115-R1119 IonicContact OD1-NH2 3.29Å; D1115-R1119 PolarHBondContact OD1-NH2 2.91Å
1116	R	39.6	Very low	38.5	Very low	224 Å²	224	117.1 Å²	117.1	85%	0.845	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-11.2	-177.8	-160	166.7	-179.2	139	-0.2	114.1
1117	A	40.5	Very low	39.6	Very low	57 Å²	57	115.5 Å²	115.5	47%	0.471	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.7	-43.6	177.1	0	0	0	0	0	112.3	V1114 R1119 N1120 S1121	V1114-A1117 HydrophobicContact CG1-CB 4.01Å; A1117-R1119 VanDerWaalsContact C-N 3.31Å; A1117-R1119 PolarHBondContact O-N 3.23Å; A1117-N1120 PolarHBondContact O-N 3.32Å; A1117-S1121 PolarHBondContact O-N 3.08Å; A1117-S1121 VanDerWaalsContact O-N 3.16Å; A1117-S1121 PolarHBondContact O-OG 3.31Å
1118	E	39.7	Very low	40.8	Very low	90 Å²	90	115.2 Å²	115.2	42%	0.421	62%	0.615	S	S	.	*	H	α-helix	trans	-59.9	-35.9	-177	-80	-143.2	102.9	0	0	113.8	N1120 S1121 R1122	E1118-N1120 VanDerWaalsContact C-N 3.33Å; E1118-N1120 PolarHBondContact O-N 3.11Å; E1118-S1121 WeakPolarHBondContact CA-OG 3.35Å; E1118-S1121 PolarHBondContact O-N 3.22Å; E1118-S1121 PolarHBondContact O-OG 2.8Å; E1118-R1122 WeakPolarHBondContact O-CB 3.34Å; E1118-R1122 VanDerWaalsContact O-CG 3.32Å; E1118-R1122 WeakPolarHBondContact O-CG 3.45Å; E1118-R1122 PolarHBondContact O-N 3.04Å; E1118-R1122 IonicContact OE1-CZ 3.54Å; E1118-R1122 IonicContact OE1-NE 3.4Å; E1118-R1122 IonicContact OE1-NH2 3.54Å; E1118-R1122 PolarHBondContact OE1-NH2 3.49Å; E1118-R1122 IonicContact OE2-CZ 3.24Å; E1118-R1122 IonicContact OE2-NH1 3.6Å; E1118-R1122 IonicContact OE2-NH2 2.76Å; E1118-R1122 PolarHBondContact OE2-NH2 3.42Å
1119	R	42.9	Very low	41.8	Very low	163 Å²	163	113.1 Å²	113.1	62%	0.615	60%	0.6	S	S	*	*	H	α-helix	trans	-65.5	-38.8	-178.3	-55.9	-179.5	-152.5	175.4	0.4	111.5	D1115 A1117 A1123	D1115-R1119 PolarHBondContact O-NE 3.06Å; D1115-R1119 VanDerWaalsContact O-NE 3.07Å; D1115-R1119 IonicContact OD1-CZ 3.48Å; D1115-R1119 IonicContact OD1-NE 3.45Å; D1115-R1119 PolarHBondContact OD1-NE 3.32Å; D1115-R1119 IonicContact OD1-NH2 3.29Å; D1115-R1119 PolarHBondContact OD1-NH2 2.91Å; A1117-R1119 VanDerWaalsContact C-N 3.31Å; A1117-R1119 PolarHBondContact O-N 3.23Å; R1119-A1123 VanDerWaalsContact O-CB 3.26Å; R1119-A1123 WeakPolarHBondContact O-CB 3.48Å; R1119-A1123 PolarHBondContact O-N 3.38Å
1120	N	47.3	Very low	43.1	Very low	111 Å²	111	112 Å²	112	59%	0.594	59%	0.585	S	S	*	*	H	α-helix	trans	-74.3	-38.2	177.7	-71.6	-6.2	0	0	0	112.1	A1117 E1118 L1124	A1117-N1120 PolarHBondContact O-N 3.32Å; E1118-N1120 VanDerWaalsContact C-N 3.33Å; E1118-N1120 PolarHBondContact O-N 3.11Å; N1120-L1124 WeakPolarHBondContact O-CB 3.46Å; N1120-L1124 WeakPolarHBondContact O-CG 3.42Å; N1120-L1124 PolarHBondContact O-N 3.47Å
1121	S	44.3	Very low	44.2	Very low	68 Å²	68	104.9 Å²	104.9	48%	0.476	57%	0.566	S	S	.	*	H	α-helix	trans	-72.4	-36.5	176.6	56.7	0	0	0	0	112.6	A1117 E1118 S1125	A1117-S1121 PolarHBondContact O-N 3.08Å; A1117-S1121 VanDerWaalsContact O-N 3.16Å; A1117-S1121 PolarHBondContact O-OG 3.31Å; E1118-S1121 WeakPolarHBondContact CA-OG 3.35Å; E1118-S1121 PolarHBondContact O-N 3.22Å; E1118-S1121 PolarHBondContact O-OG 2.8Å; S1121-S1125 VanDerWaalsContact O-CB 3.28Å; S1121-S1125 WeakPolarHBondContact O-CB 3.44Å; S1121-S1125 PolarHBondContact O-N 3.22Å
1122	R	44	Very low	45.1	Very low	145 Å²	145	103.2 Å²	103.2	55%	0.547	55%	0.553	S	S	.	*	H	α-helix	trans	-66.1	-41.7	171.3	-70.8	-179.2	-170.4	162.7	7.2	111.9	E1118 S1125 L1126	E1118-R1122 WeakPolarHBondContact O-CB 3.34Å; E1118-R1122 VanDerWaalsContact O-CG 3.32Å; E1118-R1122 WeakPolarHBondContact O-CG 3.45Å; E1118-R1122 PolarHBondContact O-N 3.04Å; E1118-R1122 IonicContact OE1-CZ 3.54Å; E1118-R1122 IonicContact OE1-NE 3.4Å; E1118-R1122 IonicContact OE1-NH2 3.54Å; E1118-R1122 PolarHBondContact OE1-NH2 3.49Å; E1118-R1122 IonicContact OE2-CZ 3.24Å; E1118-R1122 IonicContact OE2-NH1 3.6Å; E1118-R1122 IonicContact OE2-NH2 2.76Å; E1118-R1122 PolarHBondContact OE2-NH2 3.42Å; R1122-S1125 PolarHBondContact O-N 3.05Å; R1122-L1126 WeakPolarHBondContact O-CD1 3.21Å; R1122-L1126 PolarHBondContact O-N 3.48Å
1123	A	48.9	Very low	45.8	Very low	58 Å²	58	103.3 Å²	103.3	48%	0.479	54%	0.544	S	S	.	.	H	α-helix	trans	-62.3	-42.8	175.2	0	0	0	0	0	112.9	R1119 L1126 H1127	R1119-A1123 VanDerWaalsContact O-CB 3.26Å; R1119-A1123 WeakPolarHBondContact O-CB 3.48Å; R1119-A1123 PolarHBondContact O-N 3.38Å; A1123-L1126 PolarHBondContact O-N 3.18Å; A1123-H1127 WeakPolarHBondContact O-CB 3Å; A1123-H1127 PolarHBondContact O-N 3.4Å
1124	L	48.5	Very low	46.1	Very low	111 Å²	111	103.8 Å²	103.8	58%	0.581	54%	0.537	S	S	*	.	H	α-helix	trans	-69.4	-34.1	175.2	-74.3	167.4	0	0	0	112.6	N1120 H1127 N1128	N1120-L1124 WeakPolarHBondContact O-CB 3.46Å; N1120-L1124 WeakPolarHBondContact O-CG 3.42Å; N1120-L1124 PolarHBondContact O-N 3.47Å; L1124-H1127 PolarHBondContact O-N 3.15Å; L1124-N1128 WeakPolarHBondContact O-CB 3.29Å; L1124-N1128 PolarHBondContact O-N 3.36Å; L1124-N1128 PolarHBondContact O-ND2 3.3Å
1125	S	51	Low	46.6	Very low	72 Å²	72	103 Å²	103	50%	0.503	54%	0.536	S	S	.	.	H	α-helix	trans	-63.5	-49.6	172.3	-168	0	0	0	0	111.2	S1121 R1122 H1127 N1128 S1129	S1121-S1125 VanDerWaalsContact O-CB 3.28Å; S1121-S1125 WeakPolarHBondContact O-CB 3.44Å; S1121-S1125 PolarHBondContact O-N 3.22Å; R1122-S1125 PolarHBondContact O-N 3.05Å; S1125-H1127 VanDerWaalsContact C-N 3.35Å; S1125-H1127 PolarHBondContact O-N 3.1Å; S1125-N1128 PolarHBondContact O-N 2.75Å; S1125-S1129 PolarHBondContact O-N 2.71Å; S1125-S1129 PolarHBondContact O-OG 3.2Å
1126	L	49.7	Very low	47	Very low	90 Å²	90	103.3 Å²	103.3	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-55.2	-48.5	172.9	-101.1	100.7	0	0	0	111.7	R1122 A1123 N1128 S1129 I1130 I1158	R1122-L1126 WeakPolarHBondContact O-CD1 3.21Å; R1122-L1126 PolarHBondContact O-N 3.48Å; A1123-L1126 PolarHBondContact O-N 3.18Å; L1126-N1128 VanDerWaalsContact C-N 3.32Å; L1126-N1128 PolarHBondContact O-N 2.73Å; L1126-S1129 PolarHBondContact O-N 3.05Å; L1126-I1130 HydrophobicContact CD2-CD1 4.46Å; L1126-I1130 WeakPolarHBondContact O-CB 3.36Å; L1126-I1130 VanDerWaalsContact O-CG1 3.3Å; L1126-I1130 WeakPolarHBondContact O-CG1 3.42Å; L1126-I1130 PolarHBondContact O-N 3.48Å; L1126-I1158 HydrophobicContact CD2-CD1 4.29Å
1127	H	49.3	Very low	47.3	Very low	125 Å²	125	97.2 Å²	97.2	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-61.9	-40.7	-178.7	-162.8	-55.9	0	0	0	111.4	A1123 L1124 S1125 T1131	A1123-H1127 WeakPolarHBondContact O-CB 3Å; A1123-H1127 PolarHBondContact O-N 3.4Å; L1124-H1127 PolarHBondContact O-N 3.15Å; S1125-H1127 VanDerWaalsContact C-N 3.35Å; S1125-H1127 PolarHBondContact O-N 3.1Å; H1127-T1131 PolarHBondContact ND1-OG1 3.13Å; H1127-T1131 VanDerWaalsContact O-CB 3.27Å; H1127-T1131 WeakPolarHBondContact O-CB 3.41Å; H1127-T1131 PolarHBondContact O-N 2.83Å; H1127-T1131 PolarHBondContact O-OG1 3Å
1128	N	48.9	Very low	47.5	Very low	111 Å²	111	99.2 Å²	99.2	59%	0.594	53%	0.528	S	S	*	.	H	α-helix	trans	-69.8	-40.5	177	-75.4	-19.4	0	0	0	112.6	L1124 S1125 L1126 T1131 K1132	L1124-N1128 WeakPolarHBondContact O-CB 3.29Å; L1124-N1128 PolarHBondContact O-N 3.36Å; L1124-N1128 PolarHBondContact O-ND2 3.3Å; S1125-N1128 PolarHBondContact O-N 2.75Å; L1126-N1128 VanDerWaalsContact C-N 3.32Å; L1126-N1128 PolarHBondContact O-N 2.73Å; N1128-T1131 PolarHBondContact O-N 3.29Å; N1128-K1132 WeakPolarHBondContact O-CB 3.45Å; N1128-K1132 PolarHBondContact O-N 3.46Å
1129	S	47.8	Very low	47.7	Very low	64 Å²	64	103.5 Å²	103.5	45%	0.448	55%	0.554	S	S	.	*	H	α-helix	trans	-62.4	-47.4	174.8	-67	0	0	0	0	112	S1125 L1126 T1131 K1132 I1133	S1125-S1129 PolarHBondContact O-N 2.71Å; S1125-S1129 PolarHBondContact O-OG 3.2Å; L1126-S1129 PolarHBondContact O-N 3.05Å; S1129-T1131 PolarHBondContact O-N 2.81Å; S1129-K1132 PolarHBondContact O-N 2.94Å; S1129-I1133 WeakPolarHBondContact O-CG1 3.48Å; S1129-I1133 PolarHBondContact O-N 3.4Å
1130	I	51.1	Low	47.9	Very low	75 Å²	75	98.2 Å²	98.2	39%	0.385	54%	0.542	S	S	.	.	H	α-helix	trans	-62.7	-42.7	176.7	-67.8	166.2	0	0	0	110.6	L1126 K1132 I1133 L1134	L1126-I1130 HydrophobicContact CD2-CD1 4.46Å; L1126-I1130 WeakPolarHBondContact O-CB 3.36Å; L1126-I1130 VanDerWaalsContact O-CG1 3.3Å; L1126-I1130 WeakPolarHBondContact O-CG1 3.42Å; L1126-I1130 PolarHBondContact O-N 3.48Å; I1130-K1132 VanDerWaalsContact C-N 3.33Å; I1130-K1132 PolarHBondContact O-N 2.91Å; I1130-I1133 PolarHBondContact O-N 3.24Å; I1130-L1134 HydrophobicContact CG2-CD1 3.79Å; I1130-L1134 HydrophobicContact CG2-CG 4.49Å; I1130-L1134 WeakPolarHBondContact O-CB 3.08Å; I1130-L1134 VanDerWaalsContact O-CG 3.28Å; I1130-L1134 WeakPolarHBondContact O-CG 3.13Å; I1130-L1134 PolarHBondContact O-N 2.98Å
1131	T	50.3	Low	48.1	Very low	67 Å²	67	97.4 Å²	97.4	41%	0.411	54%	0.541	S	S	.	.	H	α-helix	trans	-66.1	-34.9	177.5	-52.5	0	0	0	0	112	H1127 N1128 S1129 S1135	H1127-T1131 PolarHBondContact ND1-OG1 3.13Å; H1127-T1131 VanDerWaalsContact O-CB 3.27Å; H1127-T1131 WeakPolarHBondContact O-CB 3.41Å; H1127-T1131 PolarHBondContact O-N 2.83Å; H1127-T1131 PolarHBondContact O-OG1 3Å; N1128-T1131 PolarHBondContact O-N 3.29Å; S1129-T1131 PolarHBondContact O-N 2.81Å; T1131-S1135 WeakPolarHBondContact O-CB 3.49Å; T1131-S1135 PolarHBondContact O-N 2.94Å; T1131-S1135 PolarHBondContact O-OG 3.4Å
1132	K	46.7	Very low	48.3	Very low	112 Å²	112	100.5 Å²	100.5	49%	0.487	55%	0.552	S	S	.	*	H	α-helix	trans	-67.6	-49.2	176.9	-169.9	176.3	-167.8	-68.2	0	111.4	N1128 S1129 I1130 L1134 S1135 E1136	N1128-K1132 WeakPolarHBondContact O-CB 3.45Å; N1128-K1132 PolarHBondContact O-N 3.46Å; S1129-K1132 PolarHBondContact O-N 2.94Å; I1130-K1132 VanDerWaalsContact C-N 3.33Å; I1130-K1132 PolarHBondContact O-N 2.91Å; K1132-L1134 VanDerWaalsContact C-N 3.3Å; K1132-L1134 PolarHBondContact O-N 2.83Å; K1132-S1135 WeakPolarHBondContact CA-OG 3.39Å; K1132-S1135 PolarHBondContact O-N 3.37Å; K1132-S1135 PolarHBondContact O-OG 2.78Å; K1132-E1136 IonicContact NZ-OE1 3.67Å; K1132-E1136 PolarHBondContact NZ-OE1 3.12Å; K1132-E1136 IonicContact NZ-OE2 2.67Å; K1132-E1136 PolarHBondContact NZ-OE2 2.86Å; K1132-E1136 PolarHBondContact O-N 3.01Å
1133	I	50.6	Low	48.6	Very low	99 Å²	99	98.9 Å²	98.9	51%	0.508	55%	0.551	S	S	.	*	H	α-helix	trans	-57.6	-44.1	177.2	-66.7	163.8	0	0	0	110.5	S1129 I1130 S1135	S1129-I1133 WeakPolarHBondContact O-CG1 3.48Å; S1129-I1133 PolarHBondContact O-N 3.4Å; I1130-I1133 PolarHBondContact O-N 3.24Å; I1133-S1135 PolarHBondContact O-N 2.88Å; I1133-S1135 VanDerWaalsContact O-N 3.08Å
1134	L	48.4	Very low	48.7	Very low	130 Å²	130	101.2 Å²	101.2	68%	0.681	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	12.1	175.5	-64.7	172.7	0	0	0	114.7	I1130 K1132	I1130-L1134 HydrophobicContact CG2-CD1 3.79Å; I1130-L1134 HydrophobicContact CG2-CG 4.49Å; I1130-L1134 WeakPolarHBondContact O-CB 3.08Å; I1130-L1134 VanDerWaalsContact O-CG 3.28Å; I1130-L1134 WeakPolarHBondContact O-CG 3.13Å; I1130-L1134 PolarHBondContact O-N 2.98Å; K1132-L1134 VanDerWaalsContact C-N 3.3Å; K1132-L1134 PolarHBondContact O-N 2.83Å
1135	S	49.1	Very low	48.9	Very low	82 Å²	82	104.5 Å²	104.5	57%	0.573	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	-4.8	-178.6	72.3	0	0	0	0	115.2	T1131 K1132 I1133	T1131-S1135 WeakPolarHBondContact O-CB 3.49Å; T1131-S1135 PolarHBondContact O-N 2.94Å; T1131-S1135 PolarHBondContact O-OG 3.4Å; K1132-S1135 WeakPolarHBondContact CA-OG 3.39Å; K1132-S1135 PolarHBondContact O-N 3.37Å; K1132-S1135 PolarHBondContact O-OG 2.78Å; I1133-S1135 PolarHBondContact O-N 2.88Å; I1133-S1135 VanDerWaalsContact O-N 3.08Å
1136	E	49	Very low	49.2	Very low	115 Å²	115	106.2 Å²	106.2	54%	0.537	56%	0.557	S	S	.	*			trans	-117.8	15.5	-178.4	-71.9	172.1	150.9	0	0	112.6	K1132 T1138	K1132-E1136 IonicContact NZ-OE1 3.67Å; K1132-E1136 PolarHBondContact NZ-OE1 3.12Å; K1132-E1136 IonicContact NZ-OE2 2.67Å; K1132-E1136 PolarHBondContact NZ-OE2 2.86Å; K1132-E1136 PolarHBondContact O-N 3.01Å; E1136-T1138 PolarHBondContact O-N 3.15Å
1137	T	44.7	Very low	49.4	Very low	97 Å²	97	104.3 Å²	104.3	60%	0.595	55%	0.551	S	S	*	*			trans	-69.1	110.4	175.5	51	0	0	0	0	111.4
1138	T	44.8	Very low	49.6	Very low	98 Å²	98	102.7 Å²	102.7	60%	0.601	55%	0.546	S	S	*	.			trans	-101.2	164.7	172.1	41	0	0	0	0	112.2	E1136 S1140	E1136-T1138 PolarHBondContact O-N 3.15Å; T1138-S1140 VanDerWaalsContact C-N 3.28Å; T1138-S1140 PolarHBondContact O-N 2.93Å
1139	D	44.1	Very low	50	Low	180 Å²	180	99.4 Å²	99.4	96%	0.963	53%	0.534	S	S	*	.	S	Bend	trans	-71.5	58.7	-165.9	-47.3	-72.8	0	0	0	115.5
1140	S	47.3	Very low	50.3	Low	53 Å²	53	100.6 Å²	100.6	37%	0.371	54%	0.535	S	S	.	.			trans	-141.2	128.4	172.7	100.7	0	0	0	0	113.1	T1138 D1142 E1143	T1138-S1140 VanDerWaalsContact C-N 3.28Å; T1138-S1140 PolarHBondContact O-N 2.93Å; S1140-D1142 VanDerWaalsContact C-N 3.33Å; S1140-D1142 PolarHBondContact O-N 3.23Å; S1140-E1143 PolarHBondContact OG-OE2 3.49Å; S1140-E1143 VanDerWaalsContact OG-OE2 3.09Å
1141	T	52.8	Low	50.7	Low	93 Å²	93	101.8 Å²	101.8	57%	0.571	54%	0.542	S	S	*	.	H	α-helix	trans	-73.5	-19.7	-168.5	51.2	0	0	0	0	114.6	W1145	T1141-W1145 VanDerWaalsContact O-CD1 3.28Å
1142	D	46.7	Very low	50.8	Low	133 Å²	133	100.3 Å²	100.3	71%	0.711	54%	0.537	S	S	*	.	H	α-helix	trans	-79.1	-25.8	-176.1	-68.3	-7.7	0	0	0	111.6	S1140	S1140-D1142 VanDerWaalsContact C-N 3.33Å; S1140-D1142 PolarHBondContact O-N 3.23Å
1143	E	51.3	Low	51.5	Low	112 Å²	112	98 Å²	98	52%	0.523	53%	0.532	S	S	.	.	H	α-helix	trans	-80.6	-26.8	178.6	-64.9	179.5	134.5	0	0	112.8	S1140 S1147	S1140-E1143 PolarHBondContact OG-OE2 3.49Å; S1140-E1143 VanDerWaalsContact OG-OE2 3.09Å; E1143-S1147 WeakPolarHBondContact O-CB 3.48Å; E1143-S1147 PolarHBondContact O-N 3.31Å; E1143-S1147 PolarHBondContact O-OG 3.07Å
1144	E	51.2	Low	51.7	Low	106 Å²	106	95.6 Å²	95.6	50%	0.495	53%	0.527	S	S	.	.	H	α-helix	trans	-63.7	-45.5	172.3	-66.9	-167.9	110.9	0	0	111.6	Q1146 S1147 I1148	E1144-Q1146 VanDerWaalsContact C-N 3.33Å; E1144-Q1146 PolarHBondContact O-N 2.97Å; E1144-S1147 WeakPolarHBondContact O-CB 3.17Å; E1144-S1147 PolarHBondContact O-N 3.39Å; E1144-I1148 VanDerWaalsContact O-CG1 3.29Å; E1144-I1148 WeakPolarHBondContact O-CG1 3.35Å; E1144-I1148 PolarHBondContact O-N 2.95Å
1145	W	53.3	Low	51.5	Low	181 Å²	181	92.6 Å²	92.6	69%	0.686	52%	0.516	S	S	*	.	H	α-helix	trans	-64	-36.8	179.1	-76.5	110.2	0	0	0	112.8	T1141 I1148 A1149	T1141-W1145 VanDerWaalsContact O-CD1 3.28Å; W1145-I1148 HydrophobicContact CE3-CD1 4.34Å; W1145-I1148 PolarHBondContact O-N 3.32Å; W1145-A1149 WeakPolarHBondContact O-CB 3.28Å; W1145-A1149 PolarHBondContact O-N 3.02Å
1146	Q	56.6	Low	51.7	Low	107 Å²	107	95.4 Å²	95.4	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-65.4	-45	173.2	-173	56	48.4	0	0	111.1	E1144 I1148 A1149 D1150	E1144-Q1146 VanDerWaalsContact C-N 3.33Å; E1144-Q1146 PolarHBondContact O-N 2.97Å; Q1146-I1148 VanDerWaalsContact C-N 3.3Å; Q1146-I1148 PolarHBondContact O-N 2.55Å; Q1146-A1149 PolarHBondContact O-N 3.43Å; Q1146-A1149 VanDerWaalsContact O-N 3.14Å; Q1146-D1150 VanDerWaalsContact NE2-CG 3.25Å; Q1146-D1150 PolarHBondContact NE2-OD1 3.38Å; Q1146-D1150 PolarHBondContact NE2-OD2 3.47Å; Q1146-D1150 PolarHBondContact O-N 3.37Å
1147	S	53.5	Low	51.9	Low	51 Å²	51	93.3 Å²	93.3	36%	0.357	51%	0.512	S	S	.	.	H	α-helix	trans	-59.5	-38.2	176.1	-59.8	0	0	0	0	112.8	E1143 E1144 L1151	E1143-S1147 WeakPolarHBondContact O-CB 3.48Å; E1143-S1147 PolarHBondContact O-N 3.31Å; E1143-S1147 PolarHBondContact O-OG 3.07Å; E1144-S1147 WeakPolarHBondContact O-CB 3.17Å; E1144-S1147 PolarHBondContact O-N 3.39Å; S1147-L1151 VanDerWaalsContact O-CB 3.31Å; S1147-L1151 WeakPolarHBondContact O-CB 3.47Å; S1147-L1151 PolarHBondContact O-N 3.45Å
1148	I	52.8	Low	52.4	Low	90 Å²	90	92.6 Å²	92.6	46%	0.462	50%	0.504	S	S	.	.	H	α-helix	trans	-69.2	-41.1	175.1	-68.3	163.7	0	0	0	111.3	E1144 W1145 Q1146 L1151 A1152	E1144-I1148 VanDerWaalsContact O-CG1 3.29Å; E1144-I1148 WeakPolarHBondContact O-CG1 3.35Å; E1144-I1148 PolarHBondContact O-N 2.95Å; W1145-I1148 HydrophobicContact CE3-CD1 4.34Å; W1145-I1148 PolarHBondContact O-N 3.32Å; Q1146-I1148 VanDerWaalsContact C-N 3.3Å; Q1146-I1148 PolarHBondContact O-N 2.55Å; I1148-L1151 PolarHBondContact O-N 3.19Å; I1148-A1152 WeakPolarHBondContact O-CB 3.42Å; I1148-A1152 PolarHBondContact O-N 3.11Å
1149	A	57.2	Low	52.7	Low	43 Å²	43	93.6 Å²	93.6	36%	0.355	51%	0.505	S	S	.	.	H	α-helix	trans	-65	-39.9	177.4	0	0	0	0	0	112.5	W1145 Q1146 T1153	W1145-A1149 WeakPolarHBondContact O-CB 3.28Å; W1145-A1149 PolarHBondContact O-N 3.02Å; Q1146-A1149 PolarHBondContact O-N 3.43Å; Q1146-A1149 VanDerWaalsContact O-N 3.14Å; A1149-T1153 WeakPolarHBondContact O-CB 3.37Å; A1149-T1153 PolarHBondContact O-N 3.3Å; A1149-T1153 PolarHBondContact O-OG1 2.8Å
1150	D	55.8	Low	53.2	Low	88 Å²	88	90.3 Å²	90.3	47%	0.471	48%	0.484	S	S	.	.	H	α-helix	trans	-71	-41.2	177.7	-69	-29.6	0	0	0	111.5	Q1146 A1152 T1153 A1154	Q1146-D1150 VanDerWaalsContact NE2-CG 3.25Å; Q1146-D1150 PolarHBondContact NE2-OD1 3.38Å; Q1146-D1150 PolarHBondContact NE2-OD2 3.47Å; Q1146-D1150 PolarHBondContact O-N 3.37Å; D1150-A1152 PolarHBondContact O-N 2.81Å; D1150-T1153 PolarHBondContact O-N 2.91Å; D1150-T1153 VanDerWaalsContact O-N 3.13Å; D1150-A1154 PolarHBondContact O-N 3.44Å
1151	L	58.2	Low	53.2	Low	100 Å²	100	90.5 Å²	90.5	52%	0.524	49%	0.488	S	S	.	.	H	α-helix	trans	-59.3	-45.7	172.5	-177.6	63.8	0	0	0	111.8	S1147 I1148 T1153 A1154 C1155	S1147-L1151 VanDerWaalsContact O-CB 3.31Å; S1147-L1151 WeakPolarHBondContact O-CB 3.47Å; S1147-L1151 PolarHBondContact O-N 3.45Å; I1148-L1151 PolarHBondContact O-N 3.19Å; L1151-T1153 VanDerWaalsContact C-N 3.25Å; L1151-T1153 PolarHBondContact O-N 2.79Å; L1151-A1154 PolarHBondContact O-N 3.37Å; L1151-C1155 PolarHBondContact O-N 3.11Å; L1151-C1155 PolarHBondContact O-SG 3.38Å; L1151-C1155 VanDerWaalsContact O-SG 3.42Å
1152	A	52.4	Low	52.8	Low	36 Å²	36	90.9 Å²	90.9	30%	0.298	49%	0.487	S	S	.	.	H	α-helix	trans	-62.6	-32.3	175.8	0	0	0	0	0	112.6	I1148 D1150 R1156	I1148-A1152 WeakPolarHBondContact O-CB 3.42Å; I1148-A1152 PolarHBondContact O-N 3.11Å; D1150-A1152 PolarHBondContact O-N 2.81Å; A1152-R1156 WeakPolarHBondContact O-CG 3.43Å; A1152-R1156 PolarHBondContact O-N 3.02Å
1153	T	62	Low	52.7	Low	65 Å²	65	88.1 Å²	88.1	40%	0.399	48%	0.478	S	S	.	.	H	α-helix	trans	-76.4	-34.7	178.1	-56.9	0	0	0	0	112.2	A1149 D1150 L1151 R1156 S1157	A1149-T1153 WeakPolarHBondContact O-CB 3.37Å; A1149-T1153 PolarHBondContact O-N 3.3Å; A1149-T1153 PolarHBondContact O-OG1 2.8Å; D1150-T1153 PolarHBondContact O-N 2.91Å; D1150-T1153 VanDerWaalsContact O-N 3.13Å; L1151-T1153 VanDerWaalsContact C-N 3.25Å; L1151-T1153 PolarHBondContact O-N 2.79Å; T1153-R1156 PolarHBondContact O-N 3.11Å; T1153-R1156 PolarHBondContact OG1-NH2 3.34Å; T1153-S1157 PolarHBondContact O-N 3.11Å; T1153-S1157 PolarHBondContact O-OG 2.87Å
1154	A	54.2	Low	52.3	Low	48 Å²	48	89 Å²	89	40%	0.397	48%	0.48	S	S	.	.	H	α-helix	trans	-62.1	-45.7	168.4	0	0	0	0	0	111.5	D1150 L1151 R1156 S1157 I1158	D1150-A1154 PolarHBondContact O-N 3.44Å; L1151-A1154 PolarHBondContact O-N 3.37Å; A1154-R1156 PolarHBondContact O-N 2.97Å; A1154-S1157 PolarHBondContact O-N 2.99Å; A1154-I1158 WeakPolarHBondContact O-CG1 3.32Å; A1154-I1158 PolarHBondContact O-N 3.05Å
1155	C	45.7	Very low	52	Low	66 Å²	66	91 Å²	91	45%	0.446	49%	0.489	S	S	.	.	H	α-helix	trans	-61	-42.7	176.4	-69.8	0	0	0	0	113	L1151 S1157 I1158 L1159	L1151-C1155 PolarHBondContact O-N 3.11Å; L1151-C1155 PolarHBondContact O-SG 3.38Å; L1151-C1155 VanDerWaalsContact O-SG 3.42Å; C1155-S1157 PolarHBondContact O-N 2.88Å; C1155-I1158 PolarHBondContact O-N 3.27Å; C1155-L1159 WeakPolarHBondContact O-CG 3.24Å; C1155-L1159 PolarHBondContact O-N 2.9Å; C1155-L1159 VanDerWaalsContact O-N 3.11Å
1156	R	53.5	Low	51.5	Low	141 Å²	141	89.3 Å²	89.3	53%	0.532	49%	0.493	S	S	.	.	H	α-helix	trans	-58.8	-45.8	173.1	-78	-178.6	-74.7	-99.2	-0	112.1	A1152 T1153 A1154 I1158 L1159 E1160	A1152-R1156 WeakPolarHBondContact O-CG 3.43Å; A1152-R1156 PolarHBondContact O-N 3.02Å; T1153-R1156 PolarHBondContact O-N 3.11Å; T1153-R1156 PolarHBondContact OG1-NH2 3.34Å; A1154-R1156 PolarHBondContact O-N 2.97Å; R1156-I1158 VanDerWaalsContact C-N 3.29Å; R1156-I1158 PolarHBondContact O-N 3.4Å; R1156-L1159 PolarHBondContact O-N 2.86Å; R1156-E1160 PolarHBondContact O-N 3.14Å
1157	S	52.4	Low	50.9	Low	72 Å²	72	95 Å²	95	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-34.9	179.3	-56.2	0	0	0	0	112.8	T1153 A1154 C1155 A1161	T1153-S1157 PolarHBondContact O-N 3.11Å; T1153-S1157 PolarHBondContact O-OG 2.87Å; A1154-S1157 PolarHBondContact O-N 2.99Å; C1155-S1157 PolarHBondContact O-N 2.88Å; S1157-A1161 PolarHBondContact O-N 3.19Å; S1157-A1161 VanDerWaalsContact O-N 3.08Å
1158	I	54.7	Low	50.4	Low	81 Å²	81	101.6 Å²	101.6	42%	0.415	53%	0.533	S	S	.	.	H	α-helix	trans	-69	-43.3	175.6	-68.6	163.1	0	0	0	111.2	L1126 A1154 C1155 R1156 A1161 L1162	L1126-I1158 HydrophobicContact CD2-CD1 4.29Å; A1154-I1158 WeakPolarHBondContact O-CG1 3.32Å; A1154-I1158 PolarHBondContact O-N 3.05Å; C1155-I1158 PolarHBondContact O-N 3.27Å; R1156-I1158 VanDerWaalsContact C-N 3.29Å; R1156-I1158 PolarHBondContact O-N 3.4Å; I1158-A1161 WeakPolarHBondContact O-CB 3.44Å; I1158-A1161 PolarHBondContact O-N 3.33Å; I1158-L1162 HydrophobicContact CG2-CD1 4.24Å; I1158-L1162 WeakPolarHBondContact O-CG 3.43Å; I1158-L1162 PolarHBondContact O-N 3.46Å; I1158-L1162 VanDerWaalsContact O-N 3.11Å
1159	L	51.9	Low	49.9	Very low	119 Å²	119	102 Å²	102	62%	0.623	55%	0.549	S	S	*	.	H	α-helix	trans	-64.5	-39.7	177	-70.8	167.3	0	0	0	112	C1155 R1156 A1161 S1163	C1155-L1159 WeakPolarHBondContact O-CG 3.24Å; C1155-L1159 PolarHBondContact O-N 2.9Å; C1155-L1159 VanDerWaalsContact O-N 3.11Å; R1156-L1159 PolarHBondContact O-N 2.86Å; L1159-A1161 VanDerWaalsContact C-N 3.34Å; L1159-A1161 PolarHBondContact O-N 3.12Å; L1159-S1163 WeakPolarHBondContact O-CB 3.12Å; L1159-S1163 PolarHBondContact O-N 3.47Å
1160	E	53	Low	49	Very low	111 Å²	111	103.4 Å²	103.4	52%	0.519	57%	0.568	S	S	.	*	H	α-helix	trans	-63.8	-35.7	172.3	-86.2	-162	-140.1	0	0	113.4	R1156 K1164	R1156-E1160 PolarHBondContact O-N 3.14Å; E1160-K1164 WeakPolarHBondContact O-CD 3.39Å; E1160-K1164 VanDerWaalsContact O-CG 3.26Å; E1160-K1164 WeakPolarHBondContact O-CG 3.47Å; E1160-K1164 PolarHBondContact O-N 3.21Å; E1160-K1164 IonicContact OE2-NZ 2.95Å; E1160-K1164 PolarHBondContact OE2-NZ 3.04Å
1161	A	47.8	Very low	48	Very low	57 Å²	57	106.7 Å²	106.7	47%	0.471	59%	0.585	S	S	.	*	H	α-helix	trans	-65.7	-47.4	177.7	0	0	0	0	0	111.3	S1157 I1158 L1159 K1164 E1165	S1157-A1161 PolarHBondContact O-N 3.19Å; S1157-A1161 VanDerWaalsContact O-N 3.08Å; I1158-A1161 WeakPolarHBondContact O-CB 3.44Å; I1158-A1161 PolarHBondContact O-N 3.33Å; L1159-A1161 VanDerWaalsContact C-N 3.34Å; L1159-A1161 PolarHBondContact O-N 3.12Å; A1161-K1164 PolarHBondContact O-N 2.99Å; A1161-E1165 PolarHBondContact O-N 3.43Å
1162	L	44.1	Very low	46.8	Very low	102 Å²	102	107.6 Å²	107.6	53%	0.534	60%	0.6	S	S	.	*	H	α-helix	trans	-62	-44.3	177.2	-64	169.2	0	0	0	111.5	I1158 K1164 E1165	I1158-L1162 HydrophobicContact CG2-CD1 4.24Å; I1158-L1162 WeakPolarHBondContact O-CG 3.43Å; I1158-L1162 PolarHBondContact O-N 3.46Å; I1158-L1162 VanDerWaalsContact O-N 3.11Å; L1162-K1164 PolarHBondContact O-N 3.44Å; L1162-E1165 PolarHBondContact O-N 3.48Å
1163	S	45.2	Very low	45.8	Very low	75 Å²	75	110.6 Å²	110.6	52%	0.524	62%	0.619	S	S	.	*	H	α-helix	trans	-59.3	-28.3	176.5	-178.4	0	0	0	0	113.7	L1159	L1159-S1163 WeakPolarHBondContact O-CB 3.12Å; L1159-S1163 PolarHBondContact O-N 3.47Å
1164	K	42.1	Very low	44.4	Very low	131 Å²	131	116.9 Å²	116.9	57%	0.57	64%	0.644	S	S	*	*	H	α-helix	trans	-86.9	-11.7	178.2	-70.9	164.9	-168.3	165	0	113.6	E1160 A1161 L1162	E1160-K1164 WeakPolarHBondContact O-CD 3.39Å; E1160-K1164 VanDerWaalsContact O-CG 3.26Å; E1160-K1164 WeakPolarHBondContact O-CG 3.47Å; E1160-K1164 PolarHBondContact O-N 3.21Å; E1160-K1164 IonicContact OE2-NZ 2.95Å; E1160-K1164 PolarHBondContact OE2-NZ 3.04Å; A1161-K1164 PolarHBondContact O-N 2.99Å; L1162-K1164 PolarHBondContact O-N 3.44Å
1165	E	46.6	Very low	43.1	Very low	146 Å²	146	118.5 Å²	118.5	68%	0.682	67%	0.665	S	S	*	*	H	α-helix	trans	-85.4	-41.5	179.9	-160.7	154	-149.2	0	0	111.6	A1161 L1162 R1167 K1168	A1161-E1165 PolarHBondContact O-N 3.43Å; L1162-E1165 PolarHBondContact O-N 3.48Å; E1165-R1167 VanDerWaalsContact C-N 3.25Å; E1165-R1167 PolarHBondContact O-N 3.37Å; E1165-K1168 PolarHBondContact O-N 3.03Å
1166	D	42.9	Very low	42.4	Very low	146 Å²	146	119.4 Å²	119.4	78%	0.781	69%	0.686	S	S	*	*	H	α-helix	trans	-58.5	-32.5	174.8	-94.5	-26	0	0	0	113.4	K1168	D1166-K1168 PolarHBondContact O-N 3.35Å; D1166-K1168 VanDerWaalsContact O-N 3.12Å
1167	R	44.1	Very low	41.2	Very low	226 Å²	226	117.5 Å²	117.5	85%	0.853	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	12.6	-176.8	-70.1	-165.7	174.6	-155.4	-0.3	115.1	E1165	E1165-R1167 VanDerWaalsContact C-N 3.25Å; E1165-R1167 PolarHBondContact O-N 3.37Å
1168	K	42.6	Very low	40	Very low	191 Å²	191	120.3 Å²	120.3	83%	0.83	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	-0.7	179.9	-95.4	-176	174.1	179.3	0	116.1	E1165 D1166	E1165-K1168 PolarHBondContact O-N 3.03Å; D1166-K1168 PolarHBondContact O-N 3.35Å; D1166-K1168 VanDerWaalsContact O-N 3.12Å
1169	A	42.1	Very low	38.8	Very low	97 Å²	97	123.4 Å²	123.4	80%	0.802	72%	0.722	S	S	*	*	S	Bend	trans	-89.6	1.4	-168.2	0	0	0	0	0	116.3
1170	G	38.8	Very low	37.7	Very low	73 Å²	73	123.7 Å²	123.7	75%	0.753	73%	0.729	S	S	*	*			trans	-158.3	80.5	-171.7	0	0	0	0	0	117
1171	D	33.3	Very low	36.5	Very low	157 Å²	157	126.2 Å²	126.2	84%	0.84	75%	0.746	S	S	*	*			trans	-155.9	117.5	142.1	-160.1	-0.9	0	0	0	111.9
1172	S	32.7	Very low	35.6	Very low	119 Å²	119	126.5 Å²	126.5	83%	0.832	75%	0.754	S	S	*	*			trans	163.9	153.1	160.4	40.7	0	0	0	0	109.9
1173	S	33.3	Very low	34.9	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	77%	0.771	S	S	*	*			trans	-142.7	163.2	-143.3	64.6	0	0	0	0	117.7
1174	Q	30.9	Very low	34.1	Very low	197 Å²	197	135.7 Å²	135.7	92%	0.921	79%	0.788	S	S	*	*			trans	75.6	132.8	158.5	-63.8	-178.1	-15.2	0	0	120.1
1175	G	28.4	Very low	33.7	Very low	82 Å²	82	137.6 Å²	137.6	85%	0.845	80%	0.796	S	S	*	*			trans	149.8	101.6	148.8	0	0	0	0	0	117.5
1176	G	29.1	Very low	33	Very low	85 Å²	85	136 Å²	136	88%	0.876	79%	0.793	S	S	*	*			trans	112.4	140.1	154.7	0	0	0	0	0	118.2
1177	A	28.6	Very low	32.6	Very low	101 Å²	101	134.2 Å²	134.2	84%	0.835	79%	0.791	S	S	*	*			trans	-90.7	174.3	163.8	0	0	0	0	0	109.4
1178	D	29	Very low	32.4	Very low	131 Å²	131	131.3 Å²	131.3	70%	0.701	79%	0.785	S	S	*	*			cis	-165.8	169.1	35.3	-172	25.8	0	0	0	113.6
1179	Q	28.9	Very low	32.1	Very low	146 Å²	146	128.1 Å²	128.1	68%	0.682	78%	0.777	S	S	*	*			trans	70.4	120.8	159.3	-89.1	168	84.6	0	0	123
1180	T	28.1	Very low	32.3	Very low	125 Å²	125	128.5 Å²	128.5	77%	0.767	77%	0.773	S	S	*	*			trans	65	138.6	147	60.9	0	0	0	0	119.5
1181	D	27.6	Very low	32.3	Very low	164 Å²	164	132.3 Å²	132.3	88%	0.877	78%	0.777	S	S	*	*			cis	-153.6	179.4	-3.6	-150.5	-28.2	0	0	0	109.5
1182	G	30	Very low	32.9	Very low	62 Å²	62	129.1 Å²	129.1	64%	0.639	77%	0.767	S	S	*	*			trans	111.8	24.1	157.7	0	0	0	0	0	120.1
1183	K	28.8	Very low	33.8	Very low	202 Å²	202	129 Å²	129	88%	0.878	76%	0.763	S	S	*	*			trans	13.8	112.6	152.5	-173.2	-178.7	-177.8	-180	0	119.2
1184	L	27.9	Very low	34.6	Very low	169 Å²	169	126.4 Å²	126.4	89%	0.885	75%	0.752	S	S	*	*			trans	-125.6	151.2	162.4	-107.9	168.2	0	0	0	112
1185	K	33.1	Very low	35.5	Very low	170 Å²	170	122 Å²	122	74%	0.739	73%	0.731	S	S	*	*			trans	-163.7	150.5	179	-114.1	-174.8	175.3	-88.6	0	106.9
1186	D	33.8	Very low	36.7	Very low	114 Å²	114	124.5 Å²	124.5	61%	0.61	72%	0.724	S	S	*	*			cis	-156.4	177.2	1.5	-148.4	-27.3	0	0	0	109.6
1187	S	32.7	Very low	38.4	Very low	108 Å²	108	127.4 Å²	127.4	76%	0.755	72%	0.715	S	S	*	*			trans	63.6	126.4	-179.8	65	0	0	0	0	116.4
1188	K	41.8	Very low	40.1	Very low	165 Å²	165	129.3 Å²	129.3	72%	0.717	71%	0.707	S	S	*	*			cis	101.2	134.9	10.2	-164	-174.8	165.9	-68.2	0	115.4
1189	D	36.3	Very low	41.5	Very low	124 Å²	124	127.8 Å²	127.8	66%	0.663	69%	0.694	S	S	*	*			trans	89.3	138	174.7	-61.4	-36.4	0	0	0	116.7
1190	S	44.8	Very low	43.7	Very low	104 Å²	104	124.3 Å²	124.3	73%	0.727	68%	0.682	S	S	*	*			cis	-170.5	134.4	-27.7	52.4	0	0	0	0	109.1
1191	D	38.8	Very low	45.9	Very low	154 Å²	154	121.5 Å²	121.5	82%	0.824	67%	0.668	S	S	*	*			trans	-150.1	155.3	168.3	-137.8	-24.7	0	0	0	111.8
1192	S	47.5	Very low	47.7	Very low	90 Å²	90	119.9 Å²	119.9	63%	0.629	66%	0.655	S	S	*	*			trans	-142.1	158.2	-163.1	70.3	0	0	0	0	115.5	G1194	S1192-G1194 PolarHBondContact O-N 2.87Å
1193	P	50.6	Low	49.4	Very low	116 Å²	116	122.3 Å²	122.3	75%	0.753	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-26.9	-156.4	-24.8	36	0	0	0	117.8	H1195 L1196	P1193-H1195 VanDerWaalsContact C-N 3.31Å; P1193-H1195 PolarHBondContact O-N 3.36Å; P1193-L1196 PolarHBondContact O-N 2.67Å
1194	G	50.7	Low	51.8	Low	45 Å²	45	118.7 Å²	118.7	46%	0.464	64%	0.639	S	S	.	*	H	α-helix	trans	-63.4	-30	-165.2	0	0	0	0	0	115.4	S1192 L1196 E1197 E1198	S1192-G1194 PolarHBondContact O-N 2.87Å; G1194-L1196 PolarHBondContact O-N 3.15Å; G1194-E1197 PolarHBondContact O-N 3.24Å; G1194-E1198 PolarHBondContact O-N 3.49Å
1195	H	49.3	Very low	54.4	Low	106 Å²	106	113.6 Å²	113.6	49%	0.491	62%	0.621	S	S	.	*	H	α-helix	trans	-66	-17.4	-177.5	177.9	-151.9	0	0	0	113.8	P1193 K1199	P1193-H1195 VanDerWaalsContact C-N 3.31Å; P1193-H1195 PolarHBondContact O-N 3.36Å; H1195-K1199 PolarHBondContact CE1-NZ 3.37Å; H1195-K1199 VanDerWaalsContact CE1-NZ 3.32Å; H1195-K1199 WeakPolarHBondContact NE2-CE 3.48Å; H1195-K1199 PolarHBondContact NE2-NZ 3.4Å
1196	L	53	Low	56.3	Low	133 Å²	133	111.5 Å²	111.5	70%	0.696	62%	0.615	S	S	*	*	H	α-helix	trans	-86.4	-38.1	175.7	-152	75.3	0	0	0	112	P1193 G1194 K1199 V1200	P1193-L1196 PolarHBondContact O-N 2.67Å; G1194-L1196 PolarHBondContact O-N 3.15Å; L1196-K1199 PolarHBondContact O-N 3.05Å; L1196-V1200 WeakPolarHBondContact O-CG2 3.35Å; L1196-V1200 PolarHBondContact O-N 3.03Å
1197	E	64.9	Low	58.4	Low	147 Å²	147	112 Å²	112	69%	0.687	62%	0.617	S	S	*	*	H	α-helix	trans	-71.9	-34.8	-175.7	-165.1	159	-145.1	0	0	112.3	G1194 V1200 S1201	G1194-E1197 PolarHBondContact O-N 3.24Å; E1197-V1200 PolarHBondContact O-N 2.91Å; E1197-S1201 WeakPolarHBondContact O-CB 3.36Å; E1197-S1201 PolarHBondContact O-N 3.04Å; E1197-S1201 PolarHBondContact O-OG 2.78Å
1198	E	63.8	Low	60.8	Low	141 Å²	141	113.2 Å²	113.2	66%	0.659	61%	0.609	S	S	*	*	H	α-helix	trans	-62.1	-40.9	170	-174.5	174.8	-152	0	0	112	G1194 S1201 Q1202	G1194-E1198 PolarHBondContact O-N 3.49Å; E1198-S1201 WeakPolarHBondContact O-CB 3.26Å; E1198-S1201 PolarHBondContact O-N 3.35Å; E1198-Q1202 WeakPolarHBondContact O-CB 3.36Å; E1198-Q1202 PolarHBondContact O-N 3.24Å
1199	K	58.3	Low	62.8	Low	99 Å²	99	111.8 Å²	111.8	43%	0.43	60%	0.603	S	S	.	*	H	α-helix	trans	-70.2	-36.4	177.7	-76.5	175	173.5	165	0	113.1	H1195 L1196 Q1202 L1203	H1195-K1199 PolarHBondContact CE1-NZ 3.37Å; H1195-K1199 VanDerWaalsContact CE1-NZ 3.32Å; H1195-K1199 WeakPolarHBondContact NE2-CE 3.48Å; H1195-K1199 PolarHBondContact NE2-NZ 3.4Å; L1196-K1199 PolarHBondContact O-N 3.05Å; K1199-Q1202 PolarHBondContact O-N 3.01Å; K1199-L1203 WeakPolarHBondContact O-CG 3.49Å; K1199-L1203 PolarHBondContact O-N 3.29Å
1200	V	75.4	Confident	64.7	Low	72 Å²	72	111.5 Å²	111.5	44%	0.436	60%	0.601	S	S	.	*	H	α-helix	trans	-62.4	-48.6	171.5	172	0	0	0	0	109.8	L1196 E1197 Q1202 L1203 E1204	L1196-V1200 WeakPolarHBondContact O-CG2 3.35Å; L1196-V1200 PolarHBondContact O-N 3.03Å; E1197-V1200 PolarHBondContact O-N 2.91Å; V1200-Q1202 VanDerWaalsContact C-N 3.28Å; V1200-Q1202 PolarHBondContact O-N 3.28Å; V1200-L1203 PolarHBondContact O-N 2.9Å; V1200-L1203 VanDerWaalsContact O-N 3.1Å; V1200-E1204 HydrophobicContact CG1-CG 4.44Å; V1200-E1204 WeakPolarHBondContact O-CG 3.44Å; V1200-E1204 PolarHBondContact O-N 3.02Å
1201	S	74.1	Confident	66.4	Low	66 Å²	66	112 Å²	112	46%	0.462	59%	0.592	S	S	.	*	H	α-helix	trans	-58.2	-39.1	177.4	-61.7	0	0	0	0	112.6	E1197 E1198 A1205	E1197-S1201 WeakPolarHBondContact O-CB 3.36Å; E1197-S1201 PolarHBondContact O-N 3.04Å; E1197-S1201 PolarHBondContact O-OG 2.78Å; E1198-S1201 WeakPolarHBondContact O-CB 3.26Å; E1198-S1201 PolarHBondContact O-N 3.35Å; S1201-A1205 WeakPolarHBondContact O-CB 3.41Å; S1201-A1205 PolarHBondContact O-N 3.09Å
1202	Q	67.1	Low	68.6	Low	130 Å²	130	107.9 Å²	107.9	61%	0.607	57%	0.57	S	S	*	*	H	α-helix	trans	-68.5	-37.4	176.8	-168	171.2	65.5	0	0	112.7	E1198 K1199 V1200 M1206	E1198-Q1202 WeakPolarHBondContact O-CB 3.36Å; E1198-Q1202 PolarHBondContact O-N 3.24Å; K1199-Q1202 PolarHBondContact O-N 3.01Å; V1200-Q1202 VanDerWaalsContact C-N 3.28Å; V1200-Q1202 PolarHBondContact O-N 3.28Å; Q1202-M1206 WeakPolarHBondContact O-CG 3.12Å; Q1202-M1206 PolarHBondContact O-N 3.38Å; Q1202-M1206 VanDerWaalsContact O-N 3.09Å
1203	L	65.1	Low	70.2	Confident	114 Å²	114	106.9 Å²	106.9	60%	0.597	56%	0.557	S	S	*	*	H	α-helix	trans	-70.1	-39.7	174.4	-73.5	169.1	0	0	0	112.4	K1199 V1200 M1206 L1207	K1199-L1203 WeakPolarHBondContact O-CG 3.49Å; K1199-L1203 PolarHBondContact O-N 3.29Å; V1200-L1203 PolarHBondContact O-N 2.9Å; V1200-L1203 VanDerWaalsContact O-N 3.1Å; L1203-M1206 PolarHBondContact O-N 3.19Å; L1203-L1207 WeakPolarHBondContact O-CB 3.22Å; L1203-L1207 PolarHBondContact O-N 3.45Å
1204	E	79.5	Confident	71.7	Confident	126 Å²	126	106.8 Å²	106.8	59%	0.589	55%	0.55	S	S	*	.	H	α-helix	trans	-62.4	-41.8	174.2	-72.2	179.8	177.4	0	0	111.7	V1200 M1206 L1207 K1208	V1200-E1204 HydrophobicContact CG1-CG 4.44Å; V1200-E1204 WeakPolarHBondContact O-CG 3.44Å; V1200-E1204 PolarHBondContact O-N 3.02Å; E1204-M1206 PolarHBondContact O-N 2.99Å; E1204-L1207 PolarHBondContact O-N 2.91Å; E1204-K1208 WeakPolarHBondContact O-CB 3.49Å; E1204-K1208 PolarHBondContact O-N 3.45Å
1205	A	83.1	Confident	73.1	Confident	62 Å²	62	110.5 Å²	110.5	51%	0.512	56%	0.555	S	S	.	*	H	α-helix	trans	-62.6	-40.3	174	0	0	0	0	0	112.6	S1201 K1209	S1201-A1205 WeakPolarHBondContact O-CB 3.41Å; S1201-A1205 PolarHBondContact O-N 3.09Å; A1205-K1209 PolarHBondContact O-N 3.19Å; A1205-K1209 VanDerWaalsContact O-N 3.08Å
1206	M	71.6	Confident	74.8	Confident	125 Å²	125	111.3 Å²	111.3	62%	0.616	56%	0.557	S	S	*	*	H	α-helix	trans	-65.5	-44	173.9	-76.6	-176.9	63.2	0	0	112.3	Q1202 L1203 E1204 K1208 K1209 L1210	Q1202-M1206 WeakPolarHBondContact O-CG 3.12Å; Q1202-M1206 PolarHBondContact O-N 3.38Å; Q1202-M1206 VanDerWaalsContact O-N 3.09Å; L1203-M1206 PolarHBondContact O-N 3.19Å; E1204-M1206 PolarHBondContact O-N 2.99Å; M1206-K1208 PolarHBondContact O-N 2.95Å; M1206-K1209 PolarHBondContact O-N 3.41Å; M1206-L1210 WeakPolarHBondContact O-CB 3.49Å; M1206-L1210 PolarHBondContact O-N 2.9Å
1207	L	78.6	Confident	76	Confident	124 Å²	124	113 Å²	113	65%	0.649	55%	0.554	S	S	*	*	H	α-helix	trans	-60.4	-46.9	178.6	-169.8	76.7	0	0	0	110.9	L1203 E1204 L1210 Q1211	L1203-L1207 WeakPolarHBondContact O-CB 3.22Å; L1203-L1207 PolarHBondContact O-N 3.45Å; E1204-L1207 PolarHBondContact O-N 2.91Å; L1207-L1210 PolarHBondContact O-N 3.04Å; L1207-Q1211 PolarHBondContact O-N 3.37Å
1208	K	83.4	Confident	76.7	Confident	135 Å²	135	108.3 Å²	108.3	59%	0.587	54%	0.541	S	S	*	.	H	α-helix	trans	-61.3	-46.2	177.6	-175.5	175	-179.9	178.4	0	112.1	E1204 M1206 L1210 Q1211 D1212	E1204-K1208 WeakPolarHBondContact O-CB 3.49Å; E1204-K1208 PolarHBondContact O-N 3.45Å; M1206-K1208 PolarHBondContact O-N 2.95Å; K1208-L1210 VanDerWaalsContact C-N 3.3Å; K1208-L1210 PolarHBondContact O-N 3.09Å; K1208-Q1211 WeakPolarHBondContact O-CB 3.36Å; K1208-Q1211 PolarHBondContact O-N 3.08Å; K1208-D1212 PolarHBondContact O-N 2.88Å
1209	K	83	Confident	77.7	Confident	135 Å²	135	107.1 Å²	107.1	59%	0.587	54%	0.535	S	S	*	.	H	α-helix	trans	-58.2	-43.9	176.4	-177.1	-175.5	174.5	-172.3	0	111.6	A1205 M1206 Q1211 D1212 D1213	A1205-K1209 PolarHBondContact O-N 3.19Å; A1205-K1209 VanDerWaalsContact O-N 3.08Å; M1206-K1209 PolarHBondContact O-N 3.41Å; K1209-Q1211 VanDerWaalsContact C-N 3.3Å; K1209-Q1211 PolarHBondContact O-N 3.35Å; K1209-D1212 PolarHBondContact O-N 3.5Å; K1209-D1213 WeakPolarHBondContact CE-OD2 3.47Å; K1209-D1213 WeakPolarHBondContact O-CB 3.45Å; K1209-D1213 PolarHBondContact O-N 2.96Å
1210	L	77.3	Confident	79	Confident	118 Å²	118	108.2 Å²	108.2	62%	0.618	54%	0.54	S	S	*	.	H	α-helix	trans	-66.4	-34.2	-179.4	-159.5	148.4	0	0	0	111.4	M1206 L1207 K1208 L1214	M1206-L1210 WeakPolarHBondContact O-CB 3.49Å; M1206-L1210 PolarHBondContact O-N 2.9Å; L1207-L1210 PolarHBondContact O-N 3.04Å; K1208-L1210 VanDerWaalsContact C-N 3.3Å; K1208-L1210 PolarHBondContact O-N 3.09Å; L1210-L1214 VanDerWaalsContact O-CB 3.31Å; L1210-L1214 WeakPolarHBondContact O-CB 3.42Å; L1210-L1214 PolarHBondContact O-N 3.06Å
1211	Q	78.6	Confident	79.4	Confident	115 Å²	115	109.8 Å²	109.8	54%	0.537	54%	0.542	S	S	.	.	H	α-helix	trans	-68.1	-44	171.9	-171.6	171.9	-0.8	0	0	112.6	L1207 K1208 K1209 L1214 Q1215	L1207-Q1211 PolarHBondContact O-N 3.37Å; K1208-Q1211 WeakPolarHBondContact O-CB 3.36Å; K1208-Q1211 PolarHBondContact O-N 3.08Å; K1209-Q1211 VanDerWaalsContact C-N 3.3Å; K1209-Q1211 PolarHBondContact O-N 3.35Å; Q1211-L1214 PolarHBondContact O-N 3.14Å; Q1211-Q1215 PolarHBondContact O-N 3.5Å
1212	D	85.8	Confident	79.9	Confident	67 Å²	67	114 Å²	114	36%	0.358	55%	0.553	S	S	.	*	H	α-helix	trans	-62.5	-41.1	175.7	-68.1	-20	0	0	0	111.6	K1208 K1209 Q1215 K1216	K1208-D1212 PolarHBondContact O-N 2.88Å; K1209-D1212 PolarHBondContact O-N 3.5Å; D1212-Q1215 PolarHBondContact O-N 3.5Å; D1212-K1216 WeakPolarHBondContact O-CE 3.33Å; D1212-K1216 WeakPolarHBondContact O-CG 3.37Å; D1212-K1216 PolarHBondContact O-N 3.27Å; D1212-K1216 VanDerWaalsContact O-N 3.15Å
1213	D	80.6	Confident	80.9	Confident	69 Å²	69	112.8 Å²	112.8	37%	0.369	55%	0.547	S	S	.	.	H	α-helix	trans	-70.8	-33.9	178.8	-72.1	-22.4	0	0	0	112	K1209 K1216 W1217	K1209-D1213 WeakPolarHBondContact CE-OD2 3.47Å; K1209-D1213 WeakPolarHBondContact O-CB 3.45Å; K1209-D1213 PolarHBondContact O-N 2.96Å; D1213-K1216 PolarHBondContact O-N 2.92Å; D1213-K1216 IonicContact OD1-NZ 3.32Å; D1213-K1216 PolarHBondContact OD1-NZ 3.34Å; D1213-W1217 PolarHBondContact O-N 2.79Å
1214	L	83	Confident	81.7	Confident	113 Å²	113	111.2 Å²	111.2	59%	0.592	54%	0.539	S	S	*	.	H	α-helix	trans	-69.7	-36.1	174.4	-162.6	148.2	0	0	0	112	L1210 Q1211 W1217 A1218	L1210-L1214 VanDerWaalsContact O-CB 3.31Å; L1210-L1214 WeakPolarHBondContact O-CB 3.42Å; L1210-L1214 PolarHBondContact O-N 3.06Å; Q1211-L1214 PolarHBondContact O-N 3.14Å; L1214-W1217 PolarHBondContact O-N 2.94Å; L1214-A1218 PolarHBondContact O-N 3.42Å
1215	Q	79.9	Confident	82	Confident	124 Å²	124	111.5 Å²	111.5	58%	0.579	54%	0.538	S	S	*	.	H	α-helix	trans	-64.3	-41.2	171.3	-74.6	-173.6	-6.5	0	0	112.7	Q1211 D1212 W1217 A1218 H1219	Q1211-Q1215 PolarHBondContact O-N 3.5Å; D1212-Q1215 PolarHBondContact O-N 3.5Å; Q1215-W1217 VanDerWaalsContact C-N 3.32Å; Q1215-W1217 PolarHBondContact O-N 3.04Å; Q1215-A1218 PolarHBondContact O-N 2.96Å; Q1215-H1219 PolarHBondContact O-N 3.03Å
1216	K	85.1	Confident	82.3	Confident	123 Å²	123	111.1 Å²	111.1	54%	0.535	54%	0.535	S	S	.	.	H	α-helix	trans	-61.8	-41.1	174.1	-67.1	163.6	-150.6	159.4	0	111.5	D1212 D1213 H1219 K1220	D1212-K1216 WeakPolarHBondContact O-CE 3.33Å; D1212-K1216 WeakPolarHBondContact O-CG 3.37Å; D1212-K1216 PolarHBondContact O-N 3.27Å; D1212-K1216 VanDerWaalsContact O-N 3.15Å; D1213-K1216 PolarHBondContact O-N 2.92Å; D1213-K1216 IonicContact OD1-NZ 3.32Å; D1213-K1216 PolarHBondContact OD1-NZ 3.34Å; K1216-H1219 PolarHBondContact O-N 2.98Å; K1216-K1220 PolarHBondContact O-N 3.04Å
1217	W	77.6	Confident	83.1	Confident	168 Å²	168	109.7 Å²	109.7	64%	0.636	53%	0.533	S	S	*	.	H	α-helix	trans	-63.3	-46.7	178.7	-162.8	89.2	0	0	0	111.5	D1213 L1214 Q1215 H1219 K1220 E1221	D1213-W1217 PolarHBondContact O-N 2.79Å; L1214-W1217 PolarHBondContact O-N 2.94Å; Q1215-W1217 VanDerWaalsContact C-N 3.32Å; Q1215-W1217 PolarHBondContact O-N 3.04Å; W1217-H1219 PolarHBondContact O-N 3.08Å; W1217-K1220 PolarHBondContact O-N 3.38Å; W1217-E1221 HydrophobicContact CZ3-CB 4.43Å; W1217-E1221 WeakPolarHBondContact CZ3-OE2 3.45Å; W1217-E1221 PolarHBondContact O-N 2.61Å
1218	A	80.8	Confident	83.3	Confident	49 Å²	49	108.8 Å²	108.8	41%	0.405	53%	0.528	S	S	.	.	H	α-helix	trans	-63	-36.1	175.7	0	0	0	0	0	113.4	L1214 Q1215 K1222	L1214-A1218 PolarHBondContact O-N 3.42Å; Q1215-A1218 PolarHBondContact O-N 2.96Å; A1218-K1222 WeakPolarHBondContact O-CB 3.47Å; A1218-K1222 PolarHBondContact O-N 3.41Å
1219	H	83.9	Confident	83.4	Confident	116 Å²	116	108 Å²	108	54%	0.537	53%	0.527	S	S	.	.	H	α-helix	trans	-66.4	-42.3	174.1	-158.7	-75.8	0	0	0	111.6	Q1215 K1216 W1217 K1222 E1223	Q1215-H1219 PolarHBondContact O-N 3.03Å; K1216-H1219 PolarHBondContact O-N 2.98Å; W1217-H1219 PolarHBondContact O-N 3.08Å; H1219-K1222 WeakPolarHBondContact O-CB 3.31Å; H1219-K1222 PolarHBondContact O-N 2.73Å; H1219-E1223 IonicContact CE1-OE1 3.98Å; H1219-E1223 PolarHBondContact CE1-OE1 3.04Å; H1219-E1223 IonicContact ND1-OE1 3.52Å; H1219-E1223 PolarHBondContact ND1-OE1 2.93Å; H1219-E1223 PolarHBondContact O-N 3.04Å; H1219-E1223 VanDerWaalsContact O-N 3.12Å
1220	K	85.1	Confident	83.7	Confident	122 Å²	122	104.3 Å²	104.3	53%	0.53	52%	0.522	S	S	.	.	H	α-helix	trans	-65.8	-44.6	177.3	-177.9	173.5	177.8	179.9	0	112.3	K1216 W1217 K1222 E1223 D1224	K1216-K1220 PolarHBondContact O-N 3.04Å; W1217-K1220 PolarHBondContact O-N 3.38Å; K1220-K1222 PolarHBondContact O-N 3.5Å; K1220-E1223 WeakPolarHBondContact O-CB 3.44Å; K1220-E1223 PolarHBondContact O-N 3.02Å; K1220-D1224 VanDerWaalsContact CE-OD2 3.22Å; K1220-D1224 WeakPolarHBondContact CE-OD2 3.46Å; K1220-D1224 PolarHBondContact O-N 3.26Å
1221	E	83.6	Confident	84.1	Confident	104 Å²	104	104 Å²	104	49%	0.486	52%	0.517	S	S	.	.	H	α-helix	trans	-57	-38.8	176	-174.3	-175.6	-164	0	0	111.2	W1217 K1225	W1217-E1221 HydrophobicContact CZ3-CB 4.43Å; W1217-E1221 WeakPolarHBondContact CZ3-OE2 3.45Å; W1217-E1221 PolarHBondContact O-N 2.61Å; E1221-K1225 WeakPolarHBondContact O-CB 3.5Å; E1221-K1225 PolarHBondContact O-N 2.9Å
1222	K	86.2	Confident	84.6	Confident	156 Å²	156	101.8 Å²	101.8	68%	0.678	51%	0.511	S	S	*	.	H	α-helix	trans	-65.6	-37.2	175.7	-170.3	178.8	-179.2	-179.3	0	113	A1218 H1219 K1220 A1226	A1218-K1222 WeakPolarHBondContact O-CB 3.47Å; A1218-K1222 PolarHBondContact O-N 3.41Å; H1219-K1222 WeakPolarHBondContact O-CB 3.31Å; H1219-K1222 PolarHBondContact O-N 2.73Å; K1220-K1222 PolarHBondContact O-N 3.5Å; K1222-A1226 WeakPolarHBondContact O-CB 3.4Å; K1222-A1226 PolarHBondContact O-N 3.1Å; K1222-A1226 VanDerWaalsContact O-N 3.14Å
1223	E	87.9	Confident	84.6	Confident	104 Å²	104	104.5 Å²	104.5	49%	0.486	52%	0.522	S	S	.	.	H	α-helix	trans	-69	-50.4	173.8	-73.3	171	-169.9	0	0	111.7	H1219 K1220 K1225 A1226 V1227	H1219-E1223 IonicContact CE1-OE1 3.98Å; H1219-E1223 PolarHBondContact CE1-OE1 3.04Å; H1219-E1223 IonicContact ND1-OE1 3.52Å; H1219-E1223 PolarHBondContact ND1-OE1 2.93Å; H1219-E1223 PolarHBondContact O-N 3.04Å; H1219-E1223 VanDerWaalsContact O-N 3.12Å; K1220-E1223 WeakPolarHBondContact O-CB 3.44Å; K1220-E1223 PolarHBondContact O-N 3.02Å; E1223-K1225 VanDerWaalsContact C-N 3.27Å; E1223-K1225 PolarHBondContact O-N 3.3Å; E1223-A1226 WeakPolarHBondContact O-CB 3.29Å; E1223-A1226 PolarHBondContact O-N 3.44Å; E1223-V1227 WeakPolarHBondContact O-CG2 3.45Å; E1223-V1227 PolarHBondContact O-N 2.84Å
1224	D	82.1	Confident	85.2	Confident	80 Å²	80	104 Å²	104	43%	0.428	52%	0.523	S	S	.	.	H	α-helix	trans	-58.7	-40	178.1	-72	-28.7	0	0	0	110.9	K1220 V1227 L1228	K1220-D1224 VanDerWaalsContact CE-OD2 3.22Å; K1220-D1224 WeakPolarHBondContact CE-OD2 3.46Å; K1220-D1224 PolarHBondContact O-N 3.26Å; D1224-V1227 PolarHBondContact O-N 3.06Å; D1224-L1228 WeakPolarHBondContact O-CB 3.45Å; D1224-L1228 WeakPolarHBondContact O-CG 3.46Å; D1224-L1228 PolarHBondContact O-N 3.01Å
1225	K	85.7	Confident	85	Confident	133 Å²	133	102.6 Å²	102.6	58%	0.578	52%	0.516	S	S	*	.	H	α-helix	trans	-64.2	-36.5	173.7	-173.6	171.5	-175.4	170.7	0	113	E1221 E1223 Q1229	E1221-K1225 WeakPolarHBondContact O-CB 3.5Å; E1221-K1225 PolarHBondContact O-N 2.9Å; E1223-K1225 VanDerWaalsContact C-N 3.27Å; E1223-K1225 PolarHBondContact O-N 3.3Å; K1225-Q1229 WeakPolarHBondContact O-CG 3.28Å; K1225-Q1229 PolarHBondContact O-N 3.34Å
1226	A	88.4	Confident	85.3	Confident	54 Å²	54	105.3 Å²	105.3	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-70.8	-40.2	175.8	0	0	0	0	0	112	K1222 E1223 Q1229 A1230	K1222-A1226 WeakPolarHBondContact O-CB 3.4Å; K1222-A1226 PolarHBondContact O-N 3.1Å; K1222-A1226 VanDerWaalsContact O-N 3.14Å; E1223-A1226 WeakPolarHBondContact O-CB 3.29Å; E1223-A1226 PolarHBondContact O-N 3.44Å; A1226-Q1229 PolarHBondContact O-N 3.13Å; A1226-A1230 PolarHBondContact O-N 2.88Å
1227	V	89.3	Confident	85.5	Confident	95 Å²	95	105.9 Å²	105.9	58%	0.576	53%	0.526	S	S	*	.	H	α-helix	trans	-61.6	-47.2	174.2	173.9	0	0	0	0	110.8	E1223 D1224 Q1229 A1230 E1231	E1223-V1227 WeakPolarHBondContact O-CG2 3.45Å; E1223-V1227 PolarHBondContact O-N 2.84Å; D1224-V1227 PolarHBondContact O-N 3.06Å; V1227-Q1229 VanDerWaalsContact C-N 3.32Å; V1227-Q1229 PolarHBondContact O-N 3.42Å; V1227-A1230 PolarHBondContact O-N 3.47Å; V1227-A1230 VanDerWaalsContact O-N 3.15Å; V1227-E1231 PolarHBondContact O-N 3.45Å
1228	L	81.6	Confident	85.8	Confident	104 Å²	104	101.6 Å²	101.6	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-60.8	-38	176	-74.4	167.5	0	0	0	112.6	D1224 E1231 V1232	D1224-L1228 WeakPolarHBondContact O-CB 3.45Å; D1224-L1228 WeakPolarHBondContact O-CG 3.46Å; D1224-L1228 PolarHBondContact O-N 3.01Å; L1228-E1231 PolarHBondContact O-N 2.87Å; L1228-V1232 WeakPolarHBondContact O-CB 3.45Å; L1228-V1232 VanDerWaalsContact O-CG2 3.29Å; L1228-V1232 WeakPolarHBondContact O-CG2 3.4Å; L1228-V1232 PolarHBondContact O-N 2.62Å
1229	Q	86.6	Confident	86	Confident	118 Å²	118	101.6 Å²	101.6	55%	0.551	51%	0.508	S	S	*	.	H	α-helix	trans	-64.7	-39.8	174.3	-78.2	-177.1	-7.4	0	0	112.6	K1225 A1226 V1227 V1232 Q1233	K1225-Q1229 WeakPolarHBondContact O-CG 3.28Å; K1225-Q1229 PolarHBondContact O-N 3.34Å; A1226-Q1229 PolarHBondContact O-N 3.13Å; V1227-Q1229 VanDerWaalsContact C-N 3.32Å; V1227-Q1229 PolarHBondContact O-N 3.42Å; Q1229-V1232 PolarHBondContact O-N 2.69Å; Q1229-Q1233 WeakPolarHBondContact O-CG 3.31Å; Q1229-Q1233 PolarHBondContact O-N 3.3Å
1230	A	89.3	Confident	86.2	Confident	59 Å²	59	101.7 Å²	101.7	49%	0.488	51%	0.509	S	S	.	.	H	α-helix	trans	-66	-41.9	175.4	0	0	0	0	0	112.1	A1226 V1227 Q1233 S1234	A1226-A1230 PolarHBondContact O-N 2.88Å; V1227-A1230 PolarHBondContact O-N 3.47Å; V1227-A1230 VanDerWaalsContact O-N 3.15Å; A1230-Q1233 PolarHBondContact O-N 3.26Å; A1230-S1234 PolarHBondContact O-N 3.48Å
1231	E	86.1	Confident	86.4	Confident	111 Å²	111	103.3 Å²	103.3	52%	0.519	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-44.3	175.1	-172	175.4	-171.8	0	0	111.5	V1227 L1228 Q1233 S1234 L1235	V1227-E1231 PolarHBondContact O-N 3.45Å; L1228-E1231 PolarHBondContact O-N 2.87Å; E1231-Q1233 VanDerWaalsContact C-N 3.3Å; E1231-Q1233 PolarHBondContact O-N 3.41Å; E1231-S1234 WeakPolarHBondContact O-CB 3.35Å; E1231-S1234 PolarHBondContact O-N 2.93Å; E1231-S1234 VanDerWaalsContact O-N 3.15Å; E1231-L1235 HydrophobicContact CG-CD1 4.04Å; E1231-L1235 HydrophobicContact CG-CG 4.36Å; E1231-L1235 WeakPolarHBondContact O-CB 3.4Å; E1231-L1235 WeakPolarHBondContact O-CG 3.41Å; E1231-L1235 PolarHBondContact O-N 3.32Å
1232	V	88.8	Confident	86.3	Confident	68 Å²	68	102.9 Å²	102.9	41%	0.412	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-36.1	175.4	168.3	0	0	0	0	112.1	L1228 Q1229 R1236	L1228-V1232 WeakPolarHBondContact O-CB 3.45Å; L1228-V1232 VanDerWaalsContact O-CG2 3.29Å; L1228-V1232 WeakPolarHBondContact O-CG2 3.4Å; L1228-V1232 PolarHBondContact O-N 2.62Å; Q1229-V1232 PolarHBondContact O-N 2.69Å; V1232-R1236 VanDerWaalsContact O-CG 3.28Å; V1232-R1236 WeakPolarHBondContact O-CG 3.45Å; V1232-R1236 PolarHBondContact O-N 3.32Å
1233	Q	86.1	Confident	86.1	Confident	125 Å²	125	99.1 Å²	99.1	58%	0.584	50%	0.497	S	S	*	.	H	α-helix	trans	-66.5	-44.5	173.2	-72.5	-177.3	16.9	0	0	112	Q1229 A1230 E1231 L1235 R1236 Q1237	Q1229-Q1233 WeakPolarHBondContact O-CG 3.31Å; Q1229-Q1233 PolarHBondContact O-N 3.3Å; A1230-Q1233 PolarHBondContact O-N 3.26Å; E1231-Q1233 VanDerWaalsContact C-N 3.3Å; E1231-Q1233 PolarHBondContact O-N 3.41Å; Q1233-L1235 PolarHBondContact O-N 3.26Å; Q1233-R1236 PolarHBondContact O-N 2.72Å; Q1233-Q1237 PolarHBondContact O-N 2.92Å; Q1233-Q1237 VanDerWaalsContact O-N 3.09Å
1234	S	91.6	Very high	86.1	Confident	57 Å²	57	99.3 Å²	99.3	40%	0.399	50%	0.498	S	S	.	.	H	α-helix	trans	-60.9	-43.5	175.3	-173.8	0	0	0	0	112.2	A1230 E1231 R1236 Q1237 N1238	A1230-S1234 PolarHBondContact O-N 3.48Å; E1231-S1234 WeakPolarHBondContact O-CB 3.35Å; E1231-S1234 PolarHBondContact O-N 2.93Å; E1231-S1234 VanDerWaalsContact O-N 3.15Å; S1234-R1236 VanDerWaalsContact C-N 3.32Å; S1234-R1236 PolarHBondContact O-N 2.78Å; S1234-Q1237 PolarHBondContact O-N 3.39Å; S1234-N1238 PolarHBondContact O-N 3.04Å; S1234-N1238 PolarHBondContact O-ND2 3.49Å
1235	L	79.9	Confident	86.3	Confident	84 Å²	84	100 Å²	100	44%	0.44	50%	0.499	S	S	.	.	H	α-helix	trans	-64.2	-34	176.4	-72.1	171.6	0	0	0	112.3	E1231 Q1233 N1239	E1231-L1235 HydrophobicContact CG-CD1 4.04Å; E1231-L1235 HydrophobicContact CG-CG 4.36Å; E1231-L1235 WeakPolarHBondContact O-CB 3.4Å; E1231-L1235 WeakPolarHBondContact O-CG 3.41Å; E1231-L1235 PolarHBondContact O-N 3.32Å; Q1233-L1235 PolarHBondContact O-N 3.26Å; L1235-N1239 WeakPolarHBondContact O-CB 3.37Å; L1235-N1239 PolarHBondContact O-N 3.23Å; L1235-N1239 PolarHBondContact O-ND2 3.35Å
1236	R	86.8	Confident	86.1	Confident	182 Å²	182	96.7 Å²	96.7	69%	0.687	49%	0.492	S	S	*	.	H	α-helix	trans	-65.7	-47.6	172.6	-74.9	171.6	-177.2	-157.1	1.2	111.6	V1232 Q1233 S1234 N1238 N1239 Q1240	V1232-R1236 VanDerWaalsContact O-CG 3.28Å; V1232-R1236 WeakPolarHBondContact O-CG 3.45Å; V1232-R1236 PolarHBondContact O-N 3.32Å; Q1233-R1236 PolarHBondContact O-N 2.72Å; S1234-R1236 VanDerWaalsContact C-N 3.32Å; S1234-R1236 PolarHBondContact O-N 2.78Å; R1236-N1238 PolarHBondContact O-N 3.06Å; R1236-N1239 PolarHBondContact O-N 3.22Å; R1236-Q1240 PolarHBondContact O-N 3.49Å
1237	Q	88.3	Confident	85.9	Confident	134 Å²	134	99 Å²	99	63%	0.626	49%	0.494	S	S	*	.	H	α-helix	trans	-60.2	-44.3	177	-68.4	177.3	0.8	0	0	112	Q1233 S1234 Q1240 R1241	Q1233-Q1237 PolarHBondContact O-N 2.92Å; Q1233-Q1237 VanDerWaalsContact O-N 3.09Å; S1234-Q1237 PolarHBondContact O-N 3.39Å; Q1237-Q1240 PolarHBondContact O-N 3Å; Q1237-R1241 PolarHBondContact O-N 3.44Å
1238	N	84.3	Confident	85.9	Confident	79 Å²	79	97.1 Å²	97.1	42%	0.422	49%	0.485	S	S	.	.	H	α-helix	trans	-66.5	-35.9	177.2	-78.8	-45.5	0	0	0	113.1	S1234 R1236 L1242	S1234-N1238 PolarHBondContact O-N 3.04Å; S1234-N1238 PolarHBondContact O-ND2 3.49Å; R1236-N1238 PolarHBondContact O-N 3.06Å; N1238-L1242 WeakPolarHBondContact O-CB 3.46Å; N1238-L1242 VanDerWaalsContact O-CG 3.3Å; N1238-L1242 WeakPolarHBondContact O-CG 3.42Å; N1238-L1242 PolarHBondContact O-N 3.11Å
1239	N	83.8	Confident	85.8	Confident	48 Å²	48	96 Å²	96	26%	0.257	48%	0.483	S	S	.	.	H	α-helix	trans	-65.2	-41.1	172.3	-85.7	-85.3	0	0	0	111.9	R71 L1235 R1236 L1242 Q1243	R71-N1239 VanDerWaalsContact CZ-OD1 3.28Å; R71-N1239 PolarHBondContact NE-OD1 3.04Å; R71-N1239 PolarHBondContact NH2-OD1 3.13Å; L1235-N1239 WeakPolarHBondContact O-CB 3.37Å; L1235-N1239 PolarHBondContact O-N 3.23Å; L1235-N1239 PolarHBondContact O-ND2 3.35Å; R1236-N1239 PolarHBondContact O-N 3.22Å; N1239-L1242 PolarHBondContact O-N 3.32Å; N1239-Q1243 WeakPolarHBondContact O-CB 3.48Å; N1239-Q1243 PolarHBondContact O-N 2.95Å
1240	Q	88	Confident	85.8	Confident	119 Å²	119	94 Å²	94	56%	0.556	48%	0.479	S	S	*	.	H	α-helix	trans	-60	-48.5	176.3	-178	179.5	-22.8	0	0	111.3	R1236 Q1237 L1242 Q1243 E1244	R1236-Q1240 PolarHBondContact O-N 3.49Å; Q1237-Q1240 PolarHBondContact O-N 3Å; Q1240-L1242 PolarHBondContact O-N 3.03Å; Q1240-Q1243 WeakPolarHBondContact O-CA 3.32Å; Q1240-Q1243 WeakPolarHBondContact O-CB 3.46Å; Q1240-Q1243 PolarHBondContact O-N 3.4Å; Q1240-E1244 WeakPolarHBondContact CG-OE1 3.3Å; Q1240-E1244 PolarHBondContact NE2-OE1 3.2Å; Q1240-E1244 PolarHBondContact O-N 3.31Å
1241	R	89.8	Confident	85.4	Confident	156 Å²	156	94 Å²	94	59%	0.589	48%	0.478	S	S	*	.	H	α-helix	trans	-57.7	-46.7	176.9	-174.4	-177.7	-178.3	159	10.1	112.5	Q1237 Q1243 E1244 E1245	Q1237-R1241 PolarHBondContact O-N 3.44Å; R1241-Q1243 PolarHBondContact O-N 3.47Å; R1241-E1244 PolarHBondContact O-N 3.47Å; R1241-E1245 IonicContact NE-OE1 2.74Å; R1241-E1245 PolarHBondContact NE-OE1 2.89Å; R1241-E1245 VanDerWaalsContact NE-OE1 3.17Å; R1241-E1245 WeakPolarHBondContact O-CG 3.36Å; R1241-E1245 PolarHBondContact O-N 3.25Å
1242	L	82.6	Confident	85.2	Confident	95 Å²	95	97 Å²	97	50%	0.497	49%	0.485	S	S	.	.	H	α-helix	trans	-62.2	-31.5	175.8	-73	168.8	0	0	0	112.4	N1238 N1239 Q1240 S1246	N1238-L1242 WeakPolarHBondContact O-CB 3.46Å; N1238-L1242 VanDerWaalsContact O-CG 3.3Å; N1238-L1242 WeakPolarHBondContact O-CG 3.42Å; N1238-L1242 PolarHBondContact O-N 3.11Å; N1239-L1242 PolarHBondContact O-N 3.32Å; Q1240-L1242 PolarHBondContact O-N 3.03Å; L1242-S1246 WeakPolarHBondContact O-CB 3.27Å; L1242-S1246 PolarHBondContact O-N 2.85Å
1243	Q	82	Confident	84.8	Confident	76 Å²	76	99.3 Å²	99.3	36%	0.355	49%	0.494	S	S	.	.	H	α-helix	trans	-74.5	-32.1	177	-164.3	169	7.6	0	0	112.4	N1239 Q1240 R1241 Q1247	N1239-Q1243 WeakPolarHBondContact O-CB 3.48Å; N1239-Q1243 PolarHBondContact O-N 2.95Å; Q1240-Q1243 WeakPolarHBondContact O-CA 3.32Å; Q1240-Q1243 WeakPolarHBondContact O-CB 3.46Å; Q1240-Q1243 PolarHBondContact O-N 3.4Å; R1241-Q1243 PolarHBondContact O-N 3.47Å; Q1243-Q1247 WeakPolarHBondContact O-CG 3.47Å; Q1243-Q1247 PolarHBondContact O-N 3.23Å
1244	E	87.8	Confident	84.6	Confident	108 Å²	108	97.6 Å²	97.6	51%	0.505	49%	0.488	S	S	.	.	H	α-helix	trans	-70.3	-44	171	-68.8	167.9	-165.9	0	0	111.4	Q1240 R1241 S1246 Q1247 S1248	Q1240-E1244 WeakPolarHBondContact CG-OE1 3.3Å; Q1240-E1244 PolarHBondContact NE2-OE1 3.2Å; Q1240-E1244 PolarHBondContact O-N 3.31Å; R1241-E1244 PolarHBondContact O-N 3.47Å; E1244-S1246 VanDerWaalsContact C-N 3.34Å; E1244-S1246 PolarHBondContact O-N 3.4Å; E1244-Q1247 PolarHBondContact O-N 2.9Å; E1244-S1248 WeakPolarHBondContact O-CB 3.5Å; E1244-S1248 PolarHBondContact O-N 2.97Å
1245	E	86.8	Confident	84.1	Confident	94 Å²	94	101.6 Å²	101.6	44%	0.439	50%	0.498	S	S	.	.	H	α-helix	trans	-64.4	-36.9	174.1	-70.6	172.9	-169.9	0	0	112	R1241 S1248 T1249	R1241-E1245 IonicContact NE-OE1 2.74Å; R1241-E1245 PolarHBondContact NE-OE1 2.89Å; R1241-E1245 VanDerWaalsContact NE-OE1 3.17Å; R1241-E1245 WeakPolarHBondContact O-CG 3.36Å; R1241-E1245 PolarHBondContact O-N 3.25Å; E1245-S1248 PolarHBondContact O-N 3.46Å; E1245-T1249 WeakPolarHBondContact O-CG2 3.45Å; E1245-T1249 PolarHBondContact O-N 3.27Å; E1245-T1249 PolarHBondContact O-OG1 3.2Å
1246	S	81.2	Confident	84.1	Confident	64 Å²	64	101.5 Å²	101.5	45%	0.448	50%	0.501	S	S	.	.	H	α-helix	trans	-62.1	-44	171	-177.5	0	0	0	0	112.2	L1242 E1244 T1249 V1250	L1242-S1246 WeakPolarHBondContact O-CB 3.27Å; L1242-S1246 PolarHBondContact O-N 2.85Å; E1244-S1246 VanDerWaalsContact C-N 3.34Å; E1244-S1246 PolarHBondContact O-N 3.4Å; S1246-T1249 WeakPolarHBondContact CA-OG1 3.41Å; S1246-T1249 PolarHBondContact O-N 3.17Å; S1246-T1249 PolarHBondContact O-OG1 3.23Å; S1246-V1250 WeakPolarHBondContact O-CB 3.37Å; S1246-V1250 VanDerWaalsContact O-CG2 3.3Å; S1246-V1250 WeakPolarHBondContact O-CG2 3.5Å; S1246-V1250 PolarHBondContact O-N 3.03Å
1247	Q	83.5	Confident	83.7	Confident	103 Å²	103	96 Å²	96	48%	0.481	49%	0.488	S	S	.	.	H	α-helix	trans	-66.8	-39.5	175.9	-73.8	177.6	52	0	0	112.1	Q1243 E1244 V1250 A1251	Q1243-Q1247 WeakPolarHBondContact O-CG 3.47Å; Q1243-Q1247 PolarHBondContact O-N 3.23Å; E1244-Q1247 PolarHBondContact O-N 2.9Å; Q1247-V1250 PolarHBondContact O-N 2.99Å; Q1247-A1251 WeakPolarHBondContact O-CB 3.45Å; Q1247-A1251 PolarHBondContact O-N 3.49Å
1248	S	88.6	Confident	83	Confident	56 Å²	56	95 Å²	95	39%	0.392	48%	0.483	S	S	.	.	H	α-helix	trans	-63.2	-42.7	175.9	-170.5	0	0	0	0	112.4	E1244 E1245 A1251 R1252	E1244-S1248 WeakPolarHBondContact O-CB 3.5Å; E1244-S1248 PolarHBondContact O-N 2.97Å; E1245-S1248 PolarHBondContact O-N 3.46Å; S1248-A1251 PolarHBondContact O-N 3.11Å; S1248-R1252 WeakPolarHBondContact O-CG 3.42Å; S1248-R1252 PolarHBondContact O-N 2.6Å; S1248-R1252 VanDerWaalsContact O-N 3.14Å
1249	T	80.8	Confident	82.5	Confident	80 Å²	80	96.6 Å²	96.6	49%	0.491	49%	0.491	S	S	.	.	H	α-helix	trans	-69.4	-41.7	176.4	46.7	0	0	0	0	112.2	E1245 S1246 A1251 R1252 L1253	E1245-T1249 WeakPolarHBondContact O-CG2 3.45Å; E1245-T1249 PolarHBondContact O-N 3.27Å; E1245-T1249 PolarHBondContact O-OG1 3.2Å; S1246-T1249 WeakPolarHBondContact CA-OG1 3.41Å; S1246-T1249 PolarHBondContact O-N 3.17Å; S1246-T1249 PolarHBondContact O-OG1 3.23Å; T1249-A1251 VanDerWaalsContact C-N 3.35Å; T1249-A1251 PolarHBondContact O-N 3.29Å; T1249-R1252 PolarHBondContact O-N 3.08Å; T1249-L1253 WeakPolarHBondContact O-CB 3.34Å; T1249-L1253 PolarHBondContact O-N 3.02Å
1250	V	85.4	Confident	81.9	Confident	77 Å²	77	99.7 Å²	99.7	47%	0.467	51%	0.507	S	S	.	.	H	α-helix	trans	-60	-42	172.8	168.4	0	0	0	0	111.8	S1246 Q1247 R1252 L1253 I1254	S1246-V1250 WeakPolarHBondContact O-CB 3.37Å; S1246-V1250 VanDerWaalsContact O-CG2 3.3Å; S1246-V1250 WeakPolarHBondContact O-CG2 3.5Å; S1246-V1250 PolarHBondContact O-N 3.03Å; Q1247-V1250 PolarHBondContact O-N 2.99Å; V1250-R1252 VanDerWaalsContact C-N 3.34Å; V1250-R1252 PolarHBondContact O-N 3.21Å; V1250-L1253 PolarHBondContact O-N 3.3Å; V1250-L1253 VanDerWaalsContact O-N 3.17Å; V1250-I1254 HydrophobicContact CG1-CD1 3.86Å; V1250-I1254 HydrophobicContact CG1-CG1 4.39Å; V1250-I1254 WeakPolarHBondContact O-CG1 3.33Å; V1250-I1254 PolarHBondContact O-N 2.89Å
1251	A	81.1	Confident	80.8	Confident	57 Å²	57	98 Å²	98	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-38.9	176.6	0	0	0	0	0	112.6	Q1247 S1248 T1249 K1255	Q1247-A1251 WeakPolarHBondContact O-CB 3.45Å; Q1247-A1251 PolarHBondContact O-N 3.49Å; S1248-A1251 PolarHBondContact O-N 3.11Å; T1249-A1251 VanDerWaalsContact C-N 3.35Å; T1249-A1251 PolarHBondContact O-N 3.29Å; A1251-K1255 WeakPolarHBondContact O-CB 3.32Å; A1251-K1255 PolarHBondContact O-N 3.05Å; A1251-K1255 VanDerWaalsContact O-N 3.13Å
1252	R	82.5	Confident	79.4	Confident	175 Å²	175	95.4 Å²	95.4	66%	0.66	51%	0.505	S	S	*	.	H	α-helix	trans	-64.3	-42.4	172.1	-66.9	171.6	-169.4	-156	1.2	111.6	S1248 T1249 V1250 K1255 V1256	S1248-R1252 WeakPolarHBondContact O-CG 3.42Å; S1248-R1252 PolarHBondContact O-N 2.6Å; S1248-R1252 VanDerWaalsContact O-N 3.14Å; T1249-R1252 PolarHBondContact O-N 3.08Å; V1250-R1252 VanDerWaalsContact C-N 3.34Å; V1250-R1252 PolarHBondContact O-N 3.21Å; R1252-K1255 PolarHBondContact O-N 3.02Å; R1252-V1256 WeakPolarHBondContact O-CG2 3.26Å; R1252-V1256 PolarHBondContact O-N 3.5Å
1253	L	80.3	Confident	78.2	Confident	117 Å²	117	96.2 Å²	96.2	61%	0.613	51%	0.514	S	S	*	.	H	α-helix	trans	-68.3	-39.2	-177.3	-146.9	159.3	0	0	0	111.7	T1249 V1250 V1256 T1257	T1249-L1253 WeakPolarHBondContact O-CB 3.34Å; T1249-L1253 PolarHBondContact O-N 3.02Å; V1250-L1253 PolarHBondContact O-N 3.3Å; V1250-L1253 VanDerWaalsContact O-N 3.17Å; L1253-V1256 PolarHBondContact O-N 2.88Å; L1253-T1257 WeakPolarHBondContact O-CB 3.36Å; L1253-T1257 PolarHBondContact O-N 3.22Å; L1253-T1257 PolarHBondContact O-OG1 2.85Å
1254	I	82.6	Confident	76.8	Confident	89 Å²	89	99.4 Å²	99.4	46%	0.456	53%	0.533	S	S	.	.	H	α-helix	trans	-58.8	-49.9	169.1	-68.9	166.6	0	0	0	110.1	V1250 V1256 T1257 E1258	V1250-I1254 HydrophobicContact CG1-CD1 3.86Å; V1250-I1254 HydrophobicContact CG1-CG1 4.39Å; V1250-I1254 WeakPolarHBondContact O-CG1 3.33Å; V1250-I1254 PolarHBondContact O-N 2.89Å; I1254-V1256 VanDerWaalsContact C-N 3.32Å; I1254-V1256 PolarHBondContact O-N 3.33Å; I1254-T1257 CarbonylContact O-C 3.52Å; I1254-T1257 WeakPolarHBondContact O-CA 3.5Å; I1254-T1257 WeakPolarHBondContact O-CB 3.26Å; I1254-T1257 PolarHBondContact O-N 2.76Å; I1254-E1258 HydrophobicContact CG2-CG 4.38Å; I1254-E1258 WeakPolarHBondContact O-CG 3.28Å; I1254-E1258 PolarHBondContact O-N 3.4Å
1255	K	79.7	Confident	74.7	Confident	141 Å²	141	101.5 Å²	101.5	61%	0.613	54%	0.541	S	S	*	.	H	α-helix	trans	-63.2	-35	-178.8	-164.8	170.1	-174.2	174.2	0	113.3	A1251 R1252 L1259	A1251-K1255 WeakPolarHBondContact O-CB 3.32Å; A1251-K1255 PolarHBondContact O-N 3.05Å; A1251-K1255 VanDerWaalsContact O-N 3.13Å; R1252-K1255 PolarHBondContact O-N 3.02Å; K1255-L1259 VanDerWaalsContact O-CG 3.32Å; K1255-L1259 WeakPolarHBondContact O-CG 3.32Å; K1255-L1259 PolarHBondContact O-N 3.44Å; K1255-L1259 VanDerWaalsContact O-N 3.1Å
1256	V	81	Confident	72.9	Confident	81 Å²	81	102.8 Å²	102.8	49%	0.491	56%	0.557	S	S	.	*	H	α-helix	trans	-67.3	-39.5	170.7	169.8	0	0	0	0	111.3	R1252 L1253 I1254 L1259 L1260	R1252-V1256 WeakPolarHBondContact O-CG2 3.26Å; R1252-V1256 PolarHBondContact O-N 3.5Å; L1253-V1256 PolarHBondContact O-N 2.88Å; I1254-V1256 VanDerWaalsContact C-N 3.32Å; I1254-V1256 PolarHBondContact O-N 3.33Å; V1256-L1259 PolarHBondContact O-N 3.2Å; V1256-L1260 HydrophobicContact CG1-CD1 3.98Å; V1256-L1260 WeakPolarHBondContact O-CG 3.32Å; V1256-L1260 PolarHBondContact O-N 3.2Å
1257	T	76.8	Confident	70.8	Confident	68 Å²	68	109.7 Å²	109.7	42%	0.417	60%	0.603	S	S	.	*	H	α-helix	trans	-65.6	-41.4	176.4	-52.7	0	0	0	0	111.5	L1253 I1254 L1259 L1260 C1261	L1253-T1257 WeakPolarHBondContact O-CB 3.36Å; L1253-T1257 PolarHBondContact O-N 3.22Å; L1253-T1257 PolarHBondContact O-OG1 2.85Å; I1254-T1257 CarbonylContact O-C 3.52Å; I1254-T1257 WeakPolarHBondContact O-CA 3.5Å; I1254-T1257 WeakPolarHBondContact O-CB 3.26Å; I1254-T1257 PolarHBondContact O-N 2.76Å; T1257-L1259 PolarHBondContact O-N 3.25Å; T1257-L1260 PolarHBondContact O-N 3.29Å; T1257-C1261 WeakPolarHBondContact O-CB 3.45Å; T1257-C1261 PolarHBondContact O-N 3.35Å; T1257-C1261 PolarHBondContact O-SG 2.69Å
1258	E	75	Confident	70.1	Confident	111 Å²	111	110 Å²	110	52%	0.519	61%	0.609	S	S	.	*	H	α-helix	trans	-62.1	-40.3	173.7	-71.2	177.7	152.3	0	0	112.1	I1254 N1262	I1254-E1258 HydrophobicContact CG2-CG 4.38Å; I1254-E1258 WeakPolarHBondContact O-CG 3.28Å; I1254-E1258 PolarHBondContact O-N 3.4Å; E1258-N1262 WeakPolarHBondContact O-CB 3.38Å; E1258-N1262 PolarHBondContact O-N 3.12Å; E1258-N1262 VanDerWaalsContact O-N 3.09Å; E1258-N1262 PolarHBondContact O-ND2 3.16Å
1259	L	74	Confident	69.2	Low	114 Å²	114	112.8 Å²	112.8	60%	0.597	62%	0.62	S	S	*	*	H	α-helix	trans	-63.1	-48.9	173.9	-73.4	166.4	0	0	0	111.3	K1255 V1256 T1257 C1261 N1262 V1263	K1255-L1259 VanDerWaalsContact O-CG 3.32Å; K1255-L1259 WeakPolarHBondContact O-CG 3.32Å; K1255-L1259 PolarHBondContact O-N 3.44Å; K1255-L1259 VanDerWaalsContact O-N 3.1Å; V1256-L1259 PolarHBondContact O-N 3.2Å; T1257-L1259 PolarHBondContact O-N 3.25Å; L1259-C1261 PolarHBondContact O-N 3.23Å; L1259-N1262 PolarHBondContact O-N 3.34Å; L1259-N1262 VanDerWaalsContact O-N 3.15Å; L1259-V1263 WeakPolarHBondContact O-CG2 3.42Å; L1259-V1263 PolarHBondContact O-N 2.67Å; L1259-V1263 VanDerWaalsContact O-N 3.12Å
1260	L	69.6	Low	68.5	Low	113 Å²	113	114.7 Å²	114.7	59%	0.592	63%	0.628	S	S	*	*	H	α-helix	trans	-61.5	-41	178.3	-71.5	168.1	0	0	0	112.6	V1256 T1257 N1262 V1263	V1256-L1260 HydrophobicContact CG1-CD1 3.98Å; V1256-L1260 WeakPolarHBondContact O-CG 3.32Å; V1256-L1260 PolarHBondContact O-N 3.2Å; T1257-L1260 PolarHBondContact O-N 3.29Å; L1260-N1262 VanDerWaalsContact C-N 3.3Å; L1260-N1262 PolarHBondContact O-N 3.16Å; L1260-V1263 PolarHBondContact O-N 3.45Å
1261	C	65.9	Low	67.5	Low	82 Å²	82	116.9 Å²	116.9	55%	0.554	64%	0.637	S	S	*	*	H	α-helix	trans	-67.5	-27.3	176.1	-73.5	0	0	0	0	113.3	T1257 L1259	T1257-C1261 WeakPolarHBondContact O-CB 3.45Å; T1257-C1261 PolarHBondContact O-N 3.35Å; T1257-C1261 PolarHBondContact O-SG 2.69Å; L1259-C1261 PolarHBondContact O-N 3.23Å
1262	N	60.1	Low	66.7	Low	102 Å²	102	120.6 Å²	120.6	55%	0.545	65%	0.648	S	S	.	*	H	α-helix	trans	-83.5	-20	175.8	-76.5	-53.3	0	0	0	113.6	E1258 L1259 L1260 N1264	E1258-N1262 WeakPolarHBondContact O-CB 3.38Å; E1258-N1262 PolarHBondContact O-N 3.12Å; E1258-N1262 VanDerWaalsContact O-N 3.09Å; E1258-N1262 PolarHBondContact O-ND2 3.16Å; L1259-N1262 PolarHBondContact O-N 3.34Å; L1259-N1262 VanDerWaalsContact O-N 3.15Å; L1260-N1262 VanDerWaalsContact C-N 3.3Å; L1260-N1262 PolarHBondContact O-N 3.16Å; N1262-N1264 VanDerWaalsContact C-N 3.31Å
1263	V	58.2	Low	65.6	Low	113 Å²	113	117 Å²	117	69%	0.685	65%	0.647	S	S	*	*	H	α-helix	trans	-70.4	-27	173	170.3	0	0	0	0	112.2	L1259 L1260 K1265	L1259-V1263 WeakPolarHBondContact O-CG2 3.42Å; L1259-V1263 PolarHBondContact O-N 2.67Å; L1259-V1263 VanDerWaalsContact O-N 3.12Å; L1260-V1263 PolarHBondContact O-N 3.45Å; V1263-K1265 VanDerWaalsContact C-N 3.32Å; V1263-K1265 PolarHBondContact O-N 3.07Å
1264	N	51.8	Low	64.6	Low	142 Å²	142	117 Å²	117	76%	0.759	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	27.3	-178.9	-78	-26.6	0	0	0	114.6	N1262	N1262-N1264 VanDerWaalsContact C-N 3.31Å
1265	K	44	Very low	63.2	Low	152 Å²	152	119.2 Å²	119.2	66%	0.661	66%	0.664	S	S	*	*			trans	-107.6	114.5	164.8	-75	-178.5	178.9	171.9	0	109.9	V1263	V1263-K1265 VanDerWaalsContact C-N 3.32Å; V1263-K1265 PolarHBondContact O-N 3.07Å
1266	P	49.3	Very low	61.8	Low	121 Å²	121	117.3 Å²	117.3	79%	0.786	67%	0.668	S	S	*	*			trans	-64.5	161.7	159.3	31.2	-34	0	0	0	109.8
1267	C	36.4	Very low	60.1	Low	209 Å²	209	120.6 Å²	120.6	100%	1.412	68%	0.684	S	S	*	*			trans	-63.4	0	176.7	-58.2	0	0	0	0	112.6

Retrieved 1,267 of 1,267 residues in 1173.3 ms (Link to these results)

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