A0A087XIU9_POEFO Loading...

Serrate RNA effector molecule homolog (Arabidopsis)

AlphaFold DB , UniProt , Accession A0A087XIU9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 878 aa.

						>A0A087XIU9_POEFO|A0A087XIU9
MGDSDDEYDRRRRDKFRRERSDYDRSREREDRRRDDWNDREWDRGRERRSRGEYRDYDRGRRERFSPPRHDMSPQQKRMRRDWDDHGGDPYRGGYDLGYGGGGGPSYGPPQHWGHPDLHLMQPHQGIPIQARLGNIHDMDLGPPPPIMKSFKEFLLSLDDSVDETEAVKRYNEYKIDFRRQQMQDFFLAHKDEEWFRSKYHPDEASRLKAEAQSALCNRLNVFMFLMENGWFENVSLDIEQTPAIIKVLDAAVIKMEGGTDHDLRILDMPPEEEEEREKSTSVLAGGETQRREELKTADRERKPSGEKNKTEKEDGDSATGDRDAAADGQDRKQEAEKESVREEMPEPKKARRKRKRSGDSDDEASASESESDSESDSNSDCSDKPQKKEEVQDKDDEEEEGEEDKPKETSEEEKKEEKKPKDDSPRPRPLHKTFSLFMRSIAPSISKAEIIALCRRYPGFLRVCLSDPHPERRFFRRCWVTFDRSVNIKEICWNLQNIRLRDCELAPGVNRDLARRVRNVNGITQHKQVLRNDIKLAAKLIHALDEKGDLWSSKTQGAQSTELRAQNPILKNITDYLIEEVSAEEEELLGSGSGMDPDEGAKEGNPAEITVEKDDKLAKVLDRLLLYLRIVHSVDYYNTCEYPSEDEMPNRCGMIHVRGPVPPNRITHGEVQQWEKVTEEKLMPLFSLKEILSEEEAAKMGRKDPDEEVEKFISANTQELGKDKWLCPLSGKKFKGPEFVRKHILNKHGEKIEEVKKEVVFFNNFLMDAKRPSLPEMKLPPLPVPGQGLLSPTLPFPPQGPQGPMGFGQPRPPLMGYGGAPPYPPNQFGGGRGNYDNFRGGQGGYLGKPRNIRMSRGDPRNIIEYRDLDAPDDMDFF
					

Structure Viewer

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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	34.9	Very low	38.9	Very low	254 Å²	254	176.2 Å²	176.2	100%	1.251	87%	0.869	S	S	*	*				0	112.9	0	-66.7	177.6	178.3	0	0	106.5
2	G	36.1	Very low	39	Very low	73 Å²	73	180.3 Å²	180.3	75%	0.753	87%	0.868	S	S	*	*			cis	-168.4	148.5	-6.8	0	0	0	0	0	109.1
3	D	38.1	Very low	39.5	Very low	168 Å²	168	184.9 Å²	184.9	90%	0.898	87%	0.871	S	S	*	*			trans	-75.7	153.8	-173.5	-46.5	-88.3	0	0	0	112.8
4	S	36	Very low	39.6	Very low	110 Å²	110	180.9 Å²	180.9	77%	0.769	86%	0.858	S	S	*	*			trans	-158.9	105.9	139.1	-157	0	0	0	0	110.2
5	D	41.5	Very low	39.7	Very low	159 Å²	159	181.4 Å²	181.4	85%	0.85	86%	0.855	S	S	*	*			trans	-95.5	123.3	167	-164.2	-0.9	0	0	0	106.1
6	D	41.8	Very low	39.5	Very low	136 Å²	136	181.6 Å²	181.6	73%	0.727	85%	0.852	S	S	*	*			trans	-160.1	22.1	-173.1	-140.3	0.3	0	0	0	116.9
7	E	40.8	Very low	39.5	Very low	189 Å²	189	184.4 Å²	184.4	88%	0.883	85%	0.853	S	S	*	*	S	Bend	trans	-89.6	4.3	-176.3	-146.1	176.3	-164.4	0	0	114.8
8	Y	38.1	Very low	39.4	Very low	224 Å²	224	186.3 Å²	186.3	88%	0.878	85%	0.851	S	S	*	*	S	Bend	trans	-105	-13.3	-166	-117.4	-88.9	0	0	0	118
9	D	41.1	Very low	39.2	Very low	123 Å²	123	185.2 Å²	185.2	66%	0.658	85%	0.847	S	S	*	*			trans	-107.5	26.9	-165.2	-153.5	25.1	0	0	0	117.1
10	R	38.9	Very low	39.1	Very low	252 Å²	252	188.5 Å²	188.5	95%	0.951	85%	0.852	S	S	*	*	S	Bend	trans	-96.3	-2.4	173.8	-69.2	-171.6	-174.6	156.4	7.3	115.7
11	R	41.1	Very low	38.9	Very low	250 Å²	250	183.6 Å²	183.6	94%	0.943	84%	0.84	S	S	*	*	S	Bend	trans	-101.4	13.3	-178.2	-73.8	-172.4	173.5	-174.1	-0.5	115.1
12	R	40.3	Very low	38.9	Very low	225 Å²	225	176.6 Å²	176.6	85%	0.849	81%	0.808	S	S	*	*	S	Bend	trans	-119.4	12.2	-167.7	-120.8	179.1	-169.3	-138	2.2	117.8
13	R	44.3	Very low	38.8	Very low	241 Å²	241	183.6 Å²	183.6	91%	0.909	81%	0.813	S	S	*	*	S	Bend	trans	-145	63.5	-179.2	-161.4	179.2	-69.9	-176.5	0.6	115.9
14	D	41.9	Very low	38.6	Very low	129 Å²	129	183.4 Å²	183.4	69%	0.69	81%	0.812	S	S	*	*			trans	-152.3	98.6	140.9	-150.2	-15.7	0	0	0	111.2
15	K	40.4	Very low	38.6	Very low	188 Å²	188	189.3 Å²	189.3	82%	0.817	82%	0.818	S	S	*	*			trans	-134	8.1	-172.8	-118.2	-168.9	179.8	-164.4	0	114.6
16	F	37	Very low	38.1	Very low	184 Å²	184	186.5 Å²	186.5	81%	0.807	81%	0.81	S	S	*	*	S	Bend	trans	-136.2	30.6	-167.9	-79	-69.7	0	0	0	114.5
17	R	39.3	Very low	37.8	Very low	230 Å²	230	191.3 Å²	191.3	87%	0.868	82%	0.818	S	S	*	*	S	Bend	trans	-130.7	8.9	173.8	-86.7	-164.9	171.7	98.8	0	116.2
18	R	38.3	Very low	37.4	Very low	218 Å²	218	191.9 Å²	191.9	82%	0.823	82%	0.821	S	S	*	*	S	Bend	trans	-113.3	5.5	-176.9	-152.2	172.8	-179.9	166.2	1.3	115.3
19	E	35.9	Very low	37.1	Very low	165 Å²	165	192.3 Å²	192.3	77%	0.771	82%	0.821	S	S	*	*	S	Bend	trans	-111.1	39.1	-172.8	-61.9	-177	145.1	0	0	113.1
20	R	35.7	Very low	36.4	Very low	252 Å²	252	195.7 Å²	195.7	95%	0.951	83%	0.833	S	S	*	*	S	Bend	trans	-146.4	16.2	-179.6	-129.2	-178.8	-166.8	-146.1	0.9	117.9
21	S	36.1	Very low	35.8	Very low	85 Å²	85	191.4 Å²	191.4	59%	0.594	83%	0.829	S	S	*	*	S	Bend	trans	-115.4	-13	174.7	48	0	0	0	0	114.7
22	D	34.7	Very low	35.6	Very low	108 Å²	108	190.6 Å²	190.6	58%	0.578	83%	0.826	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	9.7	-156.6	-59.9	-7	0	0	0	113.7
23	Y	32.8	Very low	35.2	Very low	220 Å²	220	191.5 Å²	191.5	86%	0.863	83%	0.829	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-22.6	-177.9	-106.5	-89	0	0	0	115.1
24	D	35.5	Very low	34.2	Very low	164 Å²	164	191.9 Å²	191.9	88%	0.877	83%	0.831	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-5.8	-176.8	-89.2	-37.3	0	0	0	114.7
25	R	34.9	Very low	33.7	Very low	234 Å²	234	193.2 Å²	193.2	88%	0.883	84%	0.837	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-1.8	-178.5	-82.1	-176.9	170.2	154.6	-1.4	115.4
26	S	32.1	Very low	33	Very low	99 Å²	99	191.6 Å²	191.6	69%	0.692	84%	0.838	S	S	*	*	S	Bend	trans	-105.5	13.6	-168.5	-58.3	0	0	0	0	114.5
27	R	33.8	Very low	32.6	Very low	238 Å²	238	193.6 Å²	193.6	90%	0.898	84%	0.84	S	S	*	*	S	Bend	trans	-118.8	-2.3	-171.5	-140.9	175.6	-172.6	173	2.1	116.9
28	E	32.6	Very low	31.9	Very low	200 Å²	200	189.8 Å²	189.8	94%	0.935	84%	0.837	S	S	*	*	S	Bend	trans	-111.7	15.5	178.2	-62.8	-169.3	144.9	0	0	113.5
29	R	32.4	Very low	31.5	Very low	234 Å²	234	184.7 Å²	184.7	88%	0.883	83%	0.826	S	S	*	*	S	Bend	trans	-120.6	20.4	-173.1	-143.4	-161.5	-173	-159.7	2.2	116.2
30	E	26.5	Very low	31.2	Very low	193 Å²	193	186.7 Å²	186.7	90%	0.902	83%	0.827	S	S	*	*			trans	-151.1	78.1	167	-146.3	153.3	-127.9	0	0	112.7
31	D	26.5	Very low	30.7	Very low	163 Å²	163	180.6 Å²	180.6	87%	0.872	81%	0.809	S	S	*	*			trans	-148.7	121	149.2	-140.9	-25.9	0	0	0	111.5
32	R	36.9	Very low	30.4	Very low	233 Å²	233	188.7 Å²	188.7	88%	0.879	83%	0.827	S	S	*	*			trans	-160.6	108	-179.6	-82.6	-171.3	175.4	146.6	-4.6	110.5
33	R	30.9	Very low	30	Very low	244 Å²	244	191 Å²	191	92%	0.921	84%	0.839	S	S	*	*			trans	170.9	105.7	134.6	-93.3	154.8	-171.6	-157.3	5.3	112.5
34	R	24.6	Very low	29.8	Very low	249 Å²	249	189.9 Å²	189.9	94%	0.94	83%	0.833	S	S	*	*				-161.6	136.2	124.2	-131.9	177.2	-173.6	-176.3	2.9	111
35	D	31.7	Very low	29.5	Very low	156 Å²	156	185.4 Å²	185.4	83%	0.834	83%	0.826	S	S	*	*			trans	-84	139.9	176.7	-50.7	-102.9	0	0	0	111.3
36	D	25.1	Very low	29.2	Very low	154 Å²	154	185.2 Å²	185.2	82%	0.824	83%	0.825	S	S	*	*			trans	-150.9	164.3	140.1	-158	7.7	0	0	0	110.6
37	W	27.9	Very low	29	Very low	227 Å²	227	188 Å²	188	86%	0.86	83%	0.827	S	S	*	*			trans	-86.7	148.6	-166.3	-66.3	20.3	0	0	0	114
38	N	25.2	Very low	28.6	Very low	149 Å²	149	185.7 Å²	185.7	80%	0.797	82%	0.818	S	S	*	*			trans	-152.8	90.4	133.1	-136.3	-27.5	0	0	0	113.7	R40	N38-R40 PolarHBondContact O-N 3.22Å
39	D	29.8	Very low	28.5	Very low	111 Å²	111	186.1 Å²	186.1	59%	0.594	81%	0.811	S	S	*	*			trans	-91	77.9	167.5	174.7	34.1	0	0	0	109.4	K779	D39-K779 IonicContact OD1-NZ 2.92Å; D39-K779 PolarHBondContact OD1-NZ 2.72Å; D39-K779 IonicContact OD2-NZ 3.91Å; D39-K779 PolarHBondContact OD2-NZ 3.49Å
40	R	28.8	Very low	28.2	Very low	208 Å²	208	180.8 Å²	180.8	79%	0.785	81%	0.81	S	S	*	*			trans	-161.9	149.1	173.3	-117	164.7	-160.7	125.6	7	115.2	N38	N38-R40 PolarHBondContact O-N 3.22Å
41	E	26	Very low	28.4	Very low	123 Å²	123	183 Å²	183	58%	0.575	81%	0.81	S	S	*	*			trans	63.9	90.7	169.7	-50.1	-152.1	156.6	0	0	117.6	R44	E41-R44 VanDerWaalsContact CD-NH1 3.27Å; E41-R44 IonicContact OE1-CZ 3.61Å; E41-R44 IonicContact OE1-NH1 3.81Å; E41-R44 PolarHBondContact OE1-NH1 2.7Å; E41-R44 IonicContact OE1-NH2 3.2Å; E41-R44 PolarHBondContact OE1-NH2 2.97Å; E41-R44 IonicContact OE2-NH1 2.76Å
42	W	29.1	Very low	28.4	Very low	256 Å²	256	178.4 Å²	178.4	97%	0.97	80%	0.801	S	S	*	*				-143.3	17.4	122.7	-110.3	95.9	0	0	0	114.6
43	D	28	Very low	28	Very low	155 Å²	155	175.5 Å²	175.5	83%	0.829	80%	0.797	S	S	*	*			trans	-102	74.5	174.3	-163	0	0	0	0	112.4
44	R	27.5	Very low	27.7	Very low	198 Å²	198	173.8 Å²	173.8	75%	0.747	79%	0.792	S	S	*	*			trans	-143.8	59.2	162.3	-68.8	-156.6	-162.7	95.7	8	111	E41	E41-R44 VanDerWaalsContact CD-NH1 3.27Å; E41-R44 IonicContact OE1-CZ 3.61Å; E41-R44 IonicContact OE1-NH1 3.81Å; E41-R44 PolarHBondContact OE1-NH1 2.7Å; E41-R44 IonicContact OE1-NH2 3.2Å; E41-R44 PolarHBondContact OE1-NH2 2.97Å; E41-R44 IonicContact OE2-NH1 2.76Å
45	G	28.9	Very low	28	Very low	70 Å²	70	171 Å²	171	72%	0.722	78%	0.781	S	S	*	*			trans	-101.9	-12.7	-175.4	0	0	0	0	0	117
46	R	28.2	Very low	27.8	Very low	230 Å²	230	170.3 Å²	170.3	87%	0.868	78%	0.778	S	S	*	*			trans	-147.3	147.3	175.7	-58.7	-171.5	-174.8	-160.6	2.8	107.9
47	E	29.1	Very low	28.1	Very low	157 Å²	157	170.7 Å²	170.7	73%	0.734	77%	0.769	S	S	*	*			cis	-157.2	176.1	12.2	-156	179.4	-117.7	0	0	110.2
48	R	25.9	Very low	28.1	Very low	190 Å²	190	167.8 Å²	167.8	72%	0.717	77%	0.77	S	S	*	*			trans	80.8	136.4	169	-58.1	174.3	167.2	-162.1	-6.4	116
49	R	29.9	Very low	28.5	Very low	209 Å²	209	170.1 Å²	170.1	79%	0.789	77%	0.768	S	S	*	*			cis	-136.6	176.5	-2.8	-78.3	113.8	175.9	167.1	-7.8	107.2
50	S	25.9	Very low	28.3	Very low	121 Å²	121	168.8 Å²	168.8	85%	0.846	78%	0.781	S	S	*	*			cis	-155	-169.4	24.4	-155.1	0	0	0	0	113.4
51	R	29.9	Very low	28.3	Very low	240 Å²	240	169.1 Å²	169.1	91%	0.906	78%	0.782	S	S	*	*			trans	-130.7	141.5	-166.2	162.4	-174.5	171.5	-177.2	-1.3	111.9
52	G	26.5	Very low	28.4	Very low	66 Å²	66	174.6 Å²	174.6	68%	0.68	80%	0.797	S	S	*	*			trans	99.6	153.5	164.1	0	0	0	0	0	115
53	E	29	Very low	28.4	Very low	172 Å²	172	169 Å²	169	80%	0.804	78%	0.782	S	S	*	*			cis	-147.3	158.1	-12.2	-88	-168.8	141.7	0	0	107.2
54	Y	23.9	Very low	28.6	Very low	208 Å²	208	172.5 Å²	172.5	82%	0.816	78%	0.784	S	S	*	*				-158.5	150.4	91.7	-160.4	-111.5	0	0	0	111.5
55	R	32.7	Very low	28.6	Very low	190 Å²	190	172.6 Å²	172.6	72%	0.717	79%	0.79	S	S	*	*			trans	-102.9	152.4	167.5	-80.6	-175.8	169.8	104.7	-9.4	108.8
56	D	27.3	Very low	28.6	Very low	143 Å²	143	173.5 Å²	173.5	77%	0.765	79%	0.785	S	S	*	*			trans	-115.8	163.4	142.7	-125.5	-48.9	0	0	0	112
57	Y	30.6	Very low	28.8	Very low	161 Å²	161	168.5 Å²	168.5	63%	0.631	78%	0.782	S	S	*	*			trans	-97.9	152.3	-164.5	-93	-94.2	0	0	0	114.1	R59	Y57-R59 HydrophobicContact CD1-CB 4.22Å; Y57-R59 HydrophobicContact CD1-CG 4.42Å; Y57-R59 HydrophobicContact CE1-CG 4.49Å
58	D	28.5	Very low	29	Very low	166 Å²	166	167.1 Å²	167.1	89%	0.888	79%	0.787	S	S	*	*				-142.1	164.4	119.7	-142.2	-40.7	0	0	0	110.8
59	R	32.2	Very low	29.2	Very low	199 Å²	199	168.6 Å²	168.6	75%	0.751	79%	0.792	S	S	*	*			trans	-149.1	86.8	-151.5	-161.6	-176.8	-166.8	-177.1	7	114.9	Y57	Y57-R59 HydrophobicContact CD1-CB 4.22Å; Y57-R59 HydrophobicContact CD1-CG 4.42Å; Y57-R59 HydrophobicContact CE1-CG 4.49Å
60	G	26	Very low	29.2	Very low	83 Å²	83	165.9 Å²	165.9	86%	0.856	79%	0.788	S	S	*	*			trans	-88.2	129.7	172	0	0	0	0	0	114.3
61	R	28.4	Very low	29.3	Very low	215 Å²	215	166.5 Å²	166.5	81%	0.811	78%	0.782	S	S	*	*			trans	-79	148	175.4	-62.1	-175.6	-179.2	-146.4	7.8	112.6	E63	R61-E63 IonicContact NH1-OE1 2.86Å; R61-E63 PolarHBondContact NH1-OE1 2.73Å
62	R	28.6	Very low	29.1	Very low	238 Å²	238	163.6 Å²	163.6	90%	0.898	78%	0.781	S	S	*	*				-155.7	-175.7	106.2	-129.4	178.8	174.3	172.6	-0.7	112.5
63	E	28.7	Very low	29.4	Very low	139 Å²	139	165.6 Å²	165.6	65%	0.65	79%	0.785	S	S	*	*			trans	-107	164.3	-144.5	-68.4	175.2	165.6	0	0	115	R61	R61-E63 IonicContact NH1-OE1 2.86Å; R61-E63 PolarHBondContact NH1-OE1 2.73Å
64	R	32.7	Very low	30.6	Very low	228 Å²	228	162.4 Å²	162.4	86%	0.86	78%	0.779	S	S	*	*			trans	-93.2	128.6	179.5	177.5	-169.5	-81.5	-152.4	-3.6	109.6
65	F	27.8	Very low	30.9	Very low	199 Å²	199	159.7 Å²	159.7	87%	0.873	77%	0.774	S	S	*	*			trans	-128.9	153	162	-109.1	-92.3	0	0	0	110.1
66	S	29.3	Very low	30.8	Very low	90 Å²	90	156.7 Å²	156.7	63%	0.629	77%	0.768	S	S	*	*			trans	-131.6	144	179.4	-60.3	0	0	0	0	110.1
67	P	32.1	Very low	31.2	Very low	125 Å²	125	158.1 Å²	158.1	81%	0.812	77%	0.767	S	S	*	*			trans	-69.3	150.3	179.9	-19.4	33.1	0	0	0	113
68	P	32.6	Very low	31.4	Very low	127 Å²	127	162.7 Å²	162.7	83%	0.825	78%	0.783	S	S	*	*			trans	-81.7	171.8	-179.3	-8.9	27.4	0	0	0	114
69	R	30.8	Very low	31.3	Very low	221 Å²	221	162.6 Å²	162.6	83%	0.834	78%	0.78	S	S	*	*			trans	-137.6	170.2	163.5	-82.3	-170.6	167.5	-160.1	-1.8	109.5
70	H	29	Very low	31.3	Very low	152 Å²	152	162.8 Å²	162.8	70%	0.704	78%	0.78	S	S	*	*			trans	77.9	142.6	171.6	-69.3	-82	0	0	0	115.2
71	D	28.7	Very low	31.6	Very low	135 Å²	135	167.3 Å²	167.3	72%	0.722	77%	0.772	S	S	*	*			cis	-143.1	159.5	8.9	-100.6	-42.4	0	0	0	113.6
72	M	26	Very low	31.7	Very low	178 Å²	178	162.2 Å²	162.2	88%	0.877	76%	0.761	S	S	*	*				173.2	145.7	127.1	-94.8	-64.5	170.1	0	0	114.7
73	S	32	Very low	31.6	Very low	108 Å²	108	163 Å²	163	76%	0.755	76%	0.764	S	S	*	*			trans	-171.5	175.5	173	-138	0	0	0	0	108.2
74	P	54.4	Low	31.7	Very low	106 Å²	106	163.1 Å²	163.1	69%	0.688	77%	0.769	S	S	*	*			cis	-135.9	-173.9	-5.6	41.6	-23.9	0	0	0	114.4
75	Q	30	Very low	31.6	Very low	150 Å²	150	157.5 Å²	157.5	70%	0.701	76%	0.756	S	S	*	*				163.3	124.7	126	-85.3	-152.2	30.1	0	0	112.5
76	Q	32.2	Very low	31.8	Very low	127 Å²	127	156.5 Å²	156.5	59%	0.593	75%	0.754	S	S	*	*				65.9	142.5	103.4	-59.1	-173	30.4	0	0	115.8
77	K	34.9	Very low	31.8	Very low	174 Å²	174	156.1 Å²	156.1	76%	0.757	76%	0.764	S	S	*	*			cis	-167.9	143.8	17.1	-134.2	163	-173.3	147.3	0	112
78	R	34.3	Very low	31.6	Very low	256 Å²	256	153.7 Å²	153.7	97%	0.966	76%	0.762	S	S	*	*			trans	-170.2	179.4	141.9	-105.3	171.1	-166.1	-152.5	3.1	110.4
79	M	27.6	Very low	31.6	Very low	165 Å²	165	155.4 Å²	155.4	81%	0.813	76%	0.764	S	S	*	*			trans	-145.5	144.2	-137.3	-144.7	-163	-168.8	0	0	115.8
80	R	31.4	Very low	32.2	Very low	203 Å²	203	149.4 Å²	149.4	77%	0.766	75%	0.753	S	S	*	*			trans	64.7	162.5	156.5	-81.3	-165.2	167.4	-172	-2.1	118
81	R	31.4	Very low	32.3	Very low	178 Å²	178	152.4 Å²	152.4	67%	0.672	76%	0.76	S	S	*	*			cis	-168.4	153.1	-21.1	177	168.2	-171.2	-156.5	-10.2	109.4
82	D	30.5	Very low	32.5	Very low	108 Å²	108	157.4 Å²	157.4	58%	0.578	77%	0.769	S	S	*	*			trans	11.5	132.2	162.3	-41.7	-8.4	0	0	0	120.1
83	W	27.2	Very low	32.6	Very low	254 Å²	254	152.7 Å²	152.7	96%	0.962	77%	0.766	S	S	*	*			trans	-139.9	148.4	134.5	-105.8	89.3	0	0	0	109.1
84	D	30.5	Very low	32.4	Very low	141 Å²	141	150.4 Å²	150.4	75%	0.754	76%	0.759	S	S	*	*			trans	-127.4	164.5	-173.6	-152	-24.2	0	0	0	109.6
85	D	31.1	Very low	31.2	Very low	111 Å²	111	156 Å²	156	59%	0.594	77%	0.768	S	S	*	*			trans	54.7	126.1	167.5	-165	34.9	0	0	0	120.1
86	H	30.7	Very low	31.1	Very low	178 Å²	178	156.1 Å²	156.1	82%	0.824	77%	0.773	S	S	*	*				-178.8	120.3	117.5	-87.1	-15.9	0	0	0	110.1
87	G	29.9	Very low	31.3	Very low	82 Å²	82	158 Å²	158	85%	0.845	79%	0.786	S	S	*	*			trans	-154.1	34	-173.4	0	0	0	0	0	115.2
88	G	28.9	Very low	30.9	Very low	74 Å²	74	153.4 Å²	153.4	76%	0.763	79%	0.789	S	S	*	*			trans	-161.6	135.1	176.6	0	0	0	0	0	112.7
89	D	32.4	Very low	30.7	Very low	163 Å²	163	152.8 Å²	152.8	87%	0.872	79%	0.788	S	S	*	*			trans	-134.9	146.1	-173.1	-150.8	53.6	0	0	0	109.5
90	P	43.3	Very low	30.8	Very low	94 Å²	94	148.4 Å²	148.4	61%	0.61	79%	0.785	S	S	*	*				-139.1	117.9	-125.4	36	-15.1	0	0	0	115.8
91	Y	31.2	Very low	30.6	Very low	215 Å²	215	143 Å²	143	84%	0.843	79%	0.792	S	S	*	*			trans	-133.9	97.9	173.8	-91.5	-83.1	0	0	0	115.2
92	R	31.9	Very low	30.5	Very low	241 Å²	241	138.5 Å²	138.5	91%	0.909	80%	0.802	S	S	*	*			trans	64.5	143.5	160.6	-56.9	169.2	173.5	-103.9	1.5	117
93	G	29	Very low	30.3	Very low	79 Å²	79	137.6 Å²	137.6	81%	0.814	82%	0.818	S	S	*	*			cis	140.8	112	-13.6	0	0	0	0	0	114.6
94	G	27.7	Very low	30.4	Very low	59 Å²	59	129 Å²	129	61%	0.608	81%	0.809	S	S	*	*			trans	111.8	127.4	159.2	0	0	0	0	0	117.2
95	Y	28.2	Very low	31	Very low	224 Å²	224	128.2 Å²	128.2	88%	0.878	81%	0.811	S	S	*	*			trans	53.6	154.1	152.4	71.6	-98.6	0	0	0	119.6
96	D	29.5	Very low	30.8	Very low	152 Å²	152	128.1 Å²	128.1	81%	0.813	82%	0.819	S	S	*	*			cis	-146.2	170.9	-0.2	-156.5	-2.6	0	0	0	111
97	L	34.6	Very low	30.8	Very low	167 Å²	167	130.4 Å²	130.4	87%	0.874	82%	0.822	S	S	*	*			trans	-101.3	105.5	174.5	-100.3	167	0	0	0	112
98	G	27.9	Very low	30.7	Very low	78 Å²	78	129.7 Å²	129.7	80%	0.804	82%	0.815	S	S	*	*			trans	-105.3	129.5	176.5	0	0	0	0	0	113.4
99	Y	30.2	Very low	31.1	Very low	242 Å²	242	132.2 Å²	132.2	95%	0.949	82%	0.817	S	S	*	*			trans	-111.3	136.3	-169.5	-149.1	-95.5	0	0	0	112.7
100	G	28.7	Very low	31.4	Very low	73 Å²	73	130.7 Å²	130.7	75%	0.753	82%	0.817	S	S	*	*			trans	110.7	129.3	144.1	0	0	0	0	0	120.6
101	G	27.6	Very low	31	Very low	89 Å²	89	134.1 Å²	134.1	92%	0.918	82%	0.824	S	S	*	*			trans	96.3	139.8	152.9	0	0	0	0	0	117.4
102	G	28.9	Very low	30.7	Very low	84 Å²	84	132.3 Å²	132.3	87%	0.866	82%	0.823	S	S	*	*			cis	157.9	116.7	-12.2	0	0	0	0	0	115.2
103	G	26.2	Very low	30.5	Very low	90 Å²	90	131.8 Å²	131.8	93%	0.928	82%	0.822	S	S	*	*			trans	99.1	140.9	173.4	0	0	0	0	0	114.4
104	G	29.3	Very low	30.2	Very low	74 Å²	74	131.7 Å²	131.7	76%	0.763	82%	0.82	S	S	*	*			cis	-147.7	-175.7	8.7	0	0	0	0	0	115.4
105	P	44.5	Very low	30.5	Very low	123 Å²	123	137.9 Å²	137.9	80%	0.799	83%	0.833	S	S	*	*			trans	-96.8	177.3	-152.1	40.2	-38.8	0	0	0	114.6
106	S	26.6	Very low	31.1	Very low	109 Å²	109	132.5 Å²	132.5	76%	0.762	83%	0.825	S	S	*	*			cis	-164.3	123.5	39.5	-167.5	0	0	0	0	110.9
107	Y	31.3	Very low	31.1	Very low	227 Å²	227	131.5 Å²	131.5	89%	0.89	82%	0.82	S	S	*	*				83.9	116.5	78.4	-114.5	-83.3	0	0	0	116.9
108	G	26.9	Very low	30.7	Very low	67 Å²	67	129.6 Å²	129.6	69%	0.691	81%	0.81	S	S	*	*			trans	-175.1	139.2	169.4	0	0	0	0	0	111.6
109	P	36.4	Very low	30.6	Very low	126 Å²	126	133.7 Å²	133.7	82%	0.818	81%	0.808	S	S	*	*			trans	-102.9	170.2	-154.8	-1.5	24.9	0	0	0	117.3
110	P	40.3	Very low	30.4	Very low	132 Å²	132	128.8 Å²	128.8	86%	0.857	80%	0.797	S	S	*	*			trans	-103.2	-172.9	-164	41.5	-38.1	0	0	0	117.4
111	Q	33.5	Very low	30.3	Very low	166 Å²	166	132.9 Å²	132.9	78%	0.776	80%	0.799	S	S	*	*			trans	-70.9	173.1	-172.7	-67.6	-174.1	-20.7	0	0	117.2
112	H	26	Very low	30.3	Very low	177 Å²	177	135.8 Å²	135.8	82%	0.819	79%	0.788	S	S	*	*			trans	-123	157.7	160.8	59.3	-88	0	0	0	111.7
113	W	27.9	Very low	30.5	Very low	230 Å²	230	137 Å²	137	87%	0.871	78%	0.781	S	S	*	*			trans	-93.2	158.1	-170.5	-103.2	-135.6	0	0	0	114.1
114	G	22.7	Very low	30.7	Very low	76 Å²	76	141 Å²	141	78%	0.784	78%	0.775	S	S	*	*			trans	170.4	112.5	162.9	0	0	0	0	0	116.8
115	H	33.3	Very low	30.8	Very low	190 Å²	190	146.2 Å²	146.2	88%	0.88	78%	0.78	S	S	*	*			trans	-135.8	155.3	168.4	-107	-66.3	0	0	0	107.3
116	P	40.6	Very low	30	Very low	110 Å²	110	144.1 Å²	144.1	71%	0.714	78%	0.78	S	S	*	*				-155.1	177.8	63.8	42	-20.3	0	0	0	119.2
117	D	29	Very low	30.5	Very low	132 Å²	132	145.6 Å²	145.6	71%	0.706	78%	0.778	S	S	*	*			trans	72.6	114.3	143.6	-79.7	19.2	0	0	0	127.5
118	L	26.4	Very low	30.7	Very low	127 Å²	127	139.1 Å²	139.1	67%	0.665	76%	0.764	S	S	*	*				82.4	111.7	126.9	-100.8	68.8	0	0	0	125.3
119	H	26.4	Very low	31.3	Very low	163 Å²	163	143.4 Å²	143.4	76%	0.755	77%	0.769	S	S	*	*			trans	67.4	153.1	146.5	-61.5	-30.4	0	0	0	119.2
120	L	25.8	Very low	31.5	Very low	139 Å²	139	144.6 Å²	144.6	73%	0.728	76%	0.764	S	S	*	*			cis	-147.1	172.8	19.3	-163.6	69.4	0	0	0	112.3
121	M	26.1	Very low	31.2	Very low	160 Å²	160	141.7 Å²	141.7	79%	0.788	75%	0.751	S	S	*	*			trans	72.6	104	165.9	-71	-68.4	102.3	0	0	118.8
122	Q	29.1	Very low	31.3	Very low	149 Å²	149	145.1 Å²	145.1	70%	0.696	76%	0.757	S	S	*	*			trans	-111.5	125.8	161.6	-175.2	-150.4	85	0	0	109.7	H124	Q122-H124 PolarHBondContact OE1-ND1 3.5Å
123	P	32.2	Very low	31.9	Very low	111 Å²	111	141.4 Å²	141.4	72%	0.721	74%	0.743	S	S	*	*			trans	-84.8	125.7	167.5	32.3	-30.3	0	0	0	110.7	Q125	P123-Q125 PolarHBondContact O-N 3.37Å
124	H	30	Very low	32.1	Very low	172 Å²	172	133.3 Å²	133.3	80%	0.796	73%	0.731	S	S	*	*			trans	-64.7	129	179.2	-60.8	-27.6	0	0	0	112.2	Q122	Q122-H124 PolarHBondContact OE1-ND1 3.5Å
125	Q	31.6	Very low	32.7	Very low	185 Å²	185	136 Å²	136	86%	0.864	73%	0.727	S	S	*	*			trans	-110	150.9	160.8	-66.2	-161.2	3.6	0	0	110.4	P123	P123-Q125 PolarHBondContact O-N 3.37Å
126	G	28.9	Very low	33.2	Very low	78 Å²	78	132.3 Å²	132.3	80%	0.804	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-74.6	131.3	-163.8	0	0	0	0	0	114.5
127	I	35.6	Very low	33.1	Very low	141 Å²	141	135 Å²	135	72%	0.723	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-61.3	135.5	166.8	-57	171.2	0	0	0	109	A131	I127-A131 HydrophobicContact CG2-CB 3.65Å
128	P	36.5	Very low	33.4	Very low	90 Å²	90	134.5 Å²	134.5	58%	0.584	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-63.8	146.8	178.2	25.8	-34.5	0	0	0	112.5	Q130 A131	P128-Q130 PolarHBondContact O-N 2.97Å; P128-A131 PolarHBondContact O-N 3.27Å; P128-A131 VanDerWaalsContact O-N 3.11Å
129	I	40.1	Very low	34.2	Very low	157 Å²	157	134 Å²	134	81%	0.805	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-62.5	-19	-167.9	-67.6	171.6	0	0	0	113.7	A131 R132	I129-A131 PolarHBondContact O-N 3.11Å; I129-R132 PolarHBondContact O-N 3.22Å
130	Q	39.4	Very low	34.9	Very low	151 Å²	151	134.3 Å²	134.3	71%	0.706	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-56.8	-33.8	173.5	-72.3	164.9	-66.6	0	0	112.8	P128 R132 L133	P128-Q130 PolarHBondContact O-N 2.97Å; Q130-R132 PolarHBondContact O-N 3.21Å; Q130-L133 PolarHBondContact O-N 3.4Å; Q130-L133 VanDerWaalsContact O-N 3.09Å
131	A	33.8	Very low	35.9	Very low	71 Å²	71	133.3 Å²	133.3	59%	0.587	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-73.9	13.8	-177.1	0	0	0	0	0	115.4	I127 P128 I129	I127-A131 HydrophobicContact CG2-CB 3.65Å; P128-A131 PolarHBondContact O-N 3.27Å; P128-A131 VanDerWaalsContact O-N 3.11Å; I129-A131 PolarHBondContact O-N 3.11Å
132	R	35.6	Very low	37	Very low	239 Å²	239	128.1 Å²	128.1	90%	0.902	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-125.2	7.8	169.3	-85.8	-174.7	172.6	158.6	-1.3	113.7	I129 Q130	I129-R132 PolarHBondContact O-N 3.22Å; Q130-R132 PolarHBondContact O-N 3.21Å
133	L	38.3	Very low	38	Very low	99 Å²	99	126.9 Å²	126.9	52%	0.518	70%	0.702	S	S	.	*	S	Bend	trans	-93.1	134.9	162.2	-63.4	168	0	0	0	107	Q130 I136	Q130-L133 PolarHBondContact O-N 3.4Å; Q130-L133 VanDerWaalsContact O-N 3.09Å; L133-I136 HydrophobicContact CB-CD1 4.42Å
134	G	33.8	Very low	39.2	Very low	60 Å²	60	126.9 Å²	126.9	62%	0.619	70%	0.702	S	S	*	*			trans	-62.4	166.4	166.3	0	0	0	0	0	110.9	I136	G134-I136 VanDerWaalsContact C-N 3.34Å; G134-I136 PolarHBondContact O-N 3.46Å
135	N	34	Very low	40.7	Very low	133 Å²	133	122.1 Å²	122.1	71%	0.711	69%	0.687	S	S	*	*			trans	-61.2	85.5	-173.3	-73.1	18	0	0	0	113.4	H137 D138	N135-H137 PolarHBondContact O-N 3.18Å; N135-D138 HydrophobicContact CB-CB 4.46Å
136	I	43.5	Very low	42.3	Very low	112 Å²	112	117.4 Å²	117.4	57%	0.574	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-8.7	168.5	-66.7	163	0	0	0	110.9	L133 G134	L133-I136 HydrophobicContact CB-CD1 4.42Å; G134-I136 VanDerWaalsContact C-N 3.34Å; G134-I136 PolarHBondContact O-N 3.46Å
137	H	38.5	Very low	44.7	Very low	167 Å²	167	119.6 Å²	119.6	77%	0.773	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-13.6	178.8	-103.8	-77.2	0	0	0	114.9	N135	N135-H137 PolarHBondContact O-N 3.18Å
138	D	36.4	Very low	47	Very low	121 Å²	121	115.7 Å²	115.7	65%	0.647	64%	0.643	S	S	*	*			trans	-106.9	53.2	-175.9	-101.2	-58.8	0	0	0	111.6	N135	N135-D138 HydrophobicContact CB-CB 4.46Å
139	M	42.4	Very low	49.2	Very low	116 Å²	116	115.3 Å²	115.3	57%	0.571	63%	0.633	S	S	*	*	S	Bend	trans	-123.5	126	165.8	-73.6	-83.1	90.8	0	0	107.4	L141	M139-L141 PolarHBondContact O-N 3.44Å
140	D	42.4	Very low	51.4	Low	170 Å²	170	110.3 Å²	110.3	91%	0.909	61%	0.611	S	S	*	*			trans	-51.5	120.2	-164.6	-167.9	14.4	0	0	0	112.1	G142	D140-G142 PolarHBondContact O-N 2.88Å
141	L	45.7	Very low	53.6	Low	118 Å²	118	106.4 Å²	106.4	62%	0.618	59%	0.592	S	S	*	*			trans	-89	91.6	-173.8	-83.2	166.6	0	0	0	109	M139	M139-L141 PolarHBondContact O-N 3.44Å
142	G	49.8	Very low	56.1	Low	50 Å²	50	110.3 Å²	110.3	52%	0.515	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-48.8	154.5	158.1	0	0	0	0	0	111.3	D140	D140-G142 PolarHBondContact O-N 2.88Å
143	P	49.4	Very low	58.5	Low	123 Å²	123	104 Å²	104	80%	0.799	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-54.2	141.8	-172	22.6	-34	0	0	0	111.4
144	P	57.2	Low	60.8	Low	111 Å²	111	100.2 Å²	100.2	72%	0.721	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-57.9	142.2	-179.2	25.2	-34.3	0	0	0	110.1
145	P	61.8	Low	63.3	Low	72 Å²	72	100.8 Å²	100.8	47%	0.468	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-58.2	143	-177.2	25.4	-35.1	0	0	0	110.2	I147 L775	P145-I147 PolarHBondContact O-N 3.12Å; P145-L775 HydrophobicContact CB-CD1 4.29Å; P145-L775 HydrophobicContact CG-CD1 4.22Å
146	P	65.4	Low	65.8	Low	86 Å²	86	101.1 Å²	101.1	56%	0.558	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-58.5	136.3	-178.2	24.6	-33.8	0	0	0	110.5	F178	P146-F178 HydrophobicContact CB-CE2 4.36Å; P146-F178 WeakPolarHBondContact O-CZ 3.43Å
147	I	78.4	Confident	67.6	Low	124 Å²	124	98.8 Å²	98.8	64%	0.636	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-99	144.4	177.7	-57.4	177.1	0	0	0	108.2	P145 K149 F178	P145-I147 PolarHBondContact O-N 3.12Å; I147-K149 PolarHBondContact O-N 3.05Å; I147-F178 VanDerWaalsContact C-CZ 3.47Å
148	M	83.6	Confident	69.7	Low	59 Å²	59	93 Å²	93	29%	0.291	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-64	123.6	176.5	-174	179.9	-73.3	0	0	109.3	S150 Y174 K175 F178 R179	M148-S150 PolarHBondContact O-N 3.36Å; M148-Y174 HydrophobicContact CG-CE1 4.08Å; M148-K175 HydrophobicContact CE-CB 4.46Å; M148-K175 HydrophobicContact CE-CG 4.38Å; M148-K175 HydrophobicContact SD-CD 4.31Å; M148-K175 HydrophobicContact SD-CG 3.83Å; M148-F178 HydrophobicContact CB-CD1 3.92Å; M148-F178 HydrophobicContact CB-CD2 4.48Å; M148-F178 HydrophobicContact CB-CE1 3.7Å; M148-F178 HydrophobicContact CB-CE2 4.27Å; M148-F178 HydrophobicContact CB-CG 4.31Å; M148-F178 HydrophobicContact CB-CZ 3.89Å; M148-F178 HydrophobicContact CE-CB 4.37Å; M148-F178 HydrophobicContact CE-CD1 3.44Å; M148-F178 VanDerWaalsContact CE-CD1 3.44Å; M148-F178 HydrophobicContact CE-CE1 4.09Å; M148-F178 HydrophobicContact CE-CG 4.14Å; M148-F178 HydrophobicContact CG-CD1 4.14Å; M148-F178 HydrophobicContact CG-CE1 4.43Å; M148-F178 HydrophobicContact CG-CG 4.29Å; M148-R179 HydrophobicContact CE-CG 4.13Å
149	K	83.5	Confident	72	Confident	83 Å²	83	92.3 Å²	92.3	36%	0.361	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-56.2	134.9	171.8	-71.5	179.4	173.1	-177.6	0	109.3	I147 E153 F154 S157 Y174	I147-K149 PolarHBondContact O-N 3.05Å; K149-E153 HydrophobicContact CB-CB 4.15Å; K149-E153 HydrophobicContact CG-CB 4.41Å; K149-F154 HydrophobicContact CB-CB 4.43Å; K149-S157 PolarHBondContact NZ-OG 2.71Å; K149-Y174 HydrophobicContact CB-CE1 3.91Å; K149-Y174 PolarHBondContact N-OH 3.45Å
150	S	87	Confident	73.7	Confident	51 Å²	51	95.1 Å²	95.1	36%	0.357	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-62.7	160.5	165.1	67.9	0	0	0	0	110.6	M148 K152 E153 F154	M148-S150 PolarHBondContact O-N 3.36Å; S150-K152 PolarHBondContact O-N 3.27Å; S150-K152 VanDerWaalsContact O-N 3.17Å; S150-E153 WeakPolarHBondContact CB-OE2 3.49Å; S150-E153 PolarHBondContact N-OE2 3.39Å; S150-E153 PolarHBondContact O-N 3.08Å; S150-E153 VanDerWaalsContact OG-CD 3.27Å; S150-E153 WeakPolarHBondContact OG-CG 3.24Å; S150-E153 PolarHBondContact OG-N 3.23Å; S150-E153 PolarHBondContact OG-OE2 3.05Å; S150-F154 PolarHBondContact O-N 3.36Å
151	F	85.6	Confident	75.6	Confident	69 Å²	69	91.3 Å²	91.3	30%	0.303	51%	0.514	S	S	.	.	H	α-helix	trans	-55.6	-37.9	178.3	-175	-135.8	0	0	0	111.7	F154 L155 V168 Y171	F151-F154 PolarHBondContact O-N 3.42Å; F151-L155 HydrophobicContact CD1-CD1 4.08Å; F151-L155 HydrophobicContact CD2-CD1 4.44Å; F151-L155 HydrophobicContact CD2-CG 4.16Å; F151-L155 HydrophobicContact CE1-CD1 3.81Å; F151-L155 HydrophobicContact CE1-CG 4.44Å; F151-L155 HydrophobicContact CE2-CD1 4.2Å; F151-L155 HydrophobicContact CE2-CD2 3.93Å; F151-L155 HydrophobicContact CE2-CG 3.92Å; F151-L155 HydrophobicContact CG-CD1 4.39Å; F151-L155 HydrophobicContact CZ-CD1 3.88Å; F151-L155 HydrophobicContact CZ-CD2 4Å; F151-L155 HydrophobicContact CZ-CG 4.07Å; F151-L155 WeakPolarHBondContact O-CB 3.24Å; F151-L155 VanDerWaalsContact O-CG 3.29Å; F151-L155 WeakPolarHBondContact O-CG 3.46Å; F151-L155 PolarHBondContact O-N 3.02Å; F151-V168 HydrophobicContact CE2-CG2 4.46Å; F151-V168 HydrophobicContact CZ-CG2 3.83Å; F151-Y171 HydrophobicContact CB-CD1 4.13Å; F151-Y171 HydrophobicContact CB-CE1 3.61Å; F151-Y171 HydrophobicContact CB-CE2 4.24Å; F151-Y171 AromaticContact CD2-CD1 3.36Å; F151-Y171 HydrophobicContact CD2-CD1 3.36Å; F151-Y171 AromaticContact CD2-CD2 3.96Å; F151-Y171 HydrophobicContact CD2-CD2 3.96Å; F151-Y171 AromaticContact CD2-CE1 3.8Å; F151-Y171 HydrophobicContact CD2-CE1 3.8Å; F151-Y171 HydrophobicContact CD2-CE2 4.35Å; F151-Y171 AromaticContact CD2-CG 3.44Å; F151-Y171 HydrophobicContact CD2-CG 3.44Å; F151-Y171 VanDerWaalsContact CD2-CG 3.44Å; F151-Y171 HydrophobicContact CE2-CD1 4.02Å; F151-Y171 HydrophobicContact CE2-CG 4.01Å; F151-Y171 AromaticContact CG-CD1 3.98Å; F151-Y171 HydrophobicContact CG-CD1 3.98Å; F151-Y171 AromaticContact CG-CE1 3.97Å; F151-Y171 HydrophobicContact CG-CE1 3.97Å; F151-Y171 HydrophobicContact CG-CG 4.4Å; F151-Y171 PolarHBondContact N-OH 3.12Å; F151-Y171 VanDerWaalsContact N-OH 3.13Å
152	K	86.4	Confident	77.5	Confident	154 Å²	154	87 Å²	87	67%	0.67	49%	0.492	S	S	*	.	H	α-helix	trans	-61.5	-45.5	175.5	-175.1	178.7	178.5	-179.1	0	112.7	S150 F154 L156	S150-K152 PolarHBondContact O-N 3.27Å; S150-K152 VanDerWaalsContact O-N 3.17Å; K152-F154 VanDerWaalsContact C-N 3.32Å; K152-L156 HydrophobicContact CG-CD1 4.39Å; K152-L156 VanDerWaalsContact O-CG 3.28Å; K152-L156 WeakPolarHBondContact O-CG 3.35Å; K152-L156 PolarHBondContact O-N 2.93Å; K152-L156 VanDerWaalsContact O-N 3.1Å
153	E	85.9	Confident	79.2	Confident	106 Å²	106	90.2 Å²	90.2	50%	0.495	50%	0.498	S	S	.	.	H	α-helix	trans	-74.1	-24.7	178.5	-66.6	158.2	134.6	0	0	112.6	K149 S150 S157	K149-E153 HydrophobicContact CB-CB 4.15Å; K149-E153 HydrophobicContact CG-CB 4.41Å; S150-E153 WeakPolarHBondContact CB-OE2 3.49Å; S150-E153 PolarHBondContact N-OE2 3.39Å; S150-E153 PolarHBondContact O-N 3.08Å; S150-E153 VanDerWaalsContact OG-CD 3.27Å; S150-E153 WeakPolarHBondContact OG-CG 3.24Å; S150-E153 PolarHBondContact OG-N 3.23Å; S150-E153 PolarHBondContact OG-OE2 3.05Å; E153-S157 PolarHBondContact O-OG 3.24Å
154	F	87.1	Confident	80.9	Confident	20 Å²	20	92 Å²	92	9%	0.088	50%	0.496	C	S	.	.	H	α-helix	trans	-71.4	-49.1	171.4	-177.7	-100.7	0	0	0	111.3	K149 S150 F151 K152 L156 S157 L158 R170 Y171 Y174	K149-F154 HydrophobicContact CB-CB 4.43Å; S150-F154 PolarHBondContact O-N 3.36Å; F151-F154 PolarHBondContact O-N 3.42Å; K152-F154 VanDerWaalsContact C-N 3.32Å; F154-L156 VanDerWaalsContact C-N 3.32Å; F154-L156 PolarHBondContact O-N 3.42Å; F154-S157 CarbonylContact O-C 3.55Å; F154-S157 WeakPolarHBondContact O-CA 3.47Å; F154-S157 PolarHBondContact O-N 2.87Å; F154-S157 PolarHBondContact O-OG 3.08Å; F154-L158 HydrophobicContact CD1-CD1 4.24Å; F154-L158 HydrophobicContact CD1-CG 4.48Å; F154-L158 HydrophobicContact CE1-CD1 3.8Å; F154-L158 HydrophobicContact CE1-CD2 4.29Å; F154-L158 HydrophobicContact CE1-CG 4.17Å; F154-L158 HydrophobicContact CZ-CD2 4.24Å; F154-L158 PolarHBondContact O-N 3.09Å; F154-R170 HydrophobicContact CE1-CB 4.14Å; F154-R170 HydrophobicContact CZ-CB 4.06Å; F154-R170 WeakPolarHBondContact CZ-O 3.4Å; F154-Y171 HydrophobicContact CB-CD2 3.77Å; F154-Y171 HydrophobicContact CB-CE2 4.02Å; F154-Y171 AromaticContact CD1-CD2 3.64Å; F154-Y171 HydrophobicContact CD1-CD2 3.64Å; F154-Y171 HydrophobicContact CD1-CG 4.07Å; F154-Y171 HydrophobicContact CD2-CD2 4.2Å; F154-Y171 VanDerWaalsContact CE1-CA 3.5Å; F154-Y171 HydrophobicContact CE1-CD2 4.26Å; F154-Y171 HydrophobicContact CE1-CG 4.46Å; F154-Y171 AromaticContact CG-CD2 3.6Å; F154-Y171 HydrophobicContact CG-CD2 3.6Å; F154-Y171 HydrophobicContact CG-CE2 4.31Å; F154-Y171 HydrophobicContact CG-CG 4.47Å; F154-Y174 AromaticContact CD2-CD1 3.7Å; F154-Y174 HydrophobicContact CD2-CD1 3.7Å; F154-Y174 HydrophobicContact CD2-CD2 4.25Å; F154-Y174 HydrophobicContact CD2-CE1 4.22Å; F154-Y174 AromaticContact CD2-CG 3.72Å; F154-Y174 HydrophobicContact CD2-CG 3.72Å; F154-Y174 VanDerWaalsContact CE2-CB 3.47Å; F154-Y174 AromaticContact CE2-CD1 3.99Å; F154-Y174 HydrophobicContact CE2-CD1 3.99Å; F154-Y174 HydrophobicContact CE2-CD2 4.02Å; F154-Y174 AromaticContact CE2-CG 3.53Å; F154-Y174 HydrophobicContact CE2-CG 3.53Å; F154-Y174 HydrophobicContact CG-CD1 4.4Å; F154-Y174 HydrophobicContact CZ-CG 4.41Å
155	L	85.2	Confident	82.3	Confident	72 Å²	72	92.2 Å²	92.2	38%	0.377	50%	0.495	S	S	.	.	H	α-helix	trans	-55.7	-44	174.3	-72.4	174	0	0	0	111.9	F151 S157 L158 A167	F151-L155 HydrophobicContact CD1-CD1 4.08Å; F151-L155 HydrophobicContact CD2-CD1 4.44Å; F151-L155 HydrophobicContact CD2-CG 4.16Å; F151-L155 HydrophobicContact CE1-CD1 3.81Å; F151-L155 HydrophobicContact CE1-CG 4.44Å; F151-L155 HydrophobicContact CE2-CD1 4.2Å; F151-L155 HydrophobicContact CE2-CD2 3.93Å; F151-L155 HydrophobicContact CE2-CG 3.92Å; F151-L155 HydrophobicContact CG-CD1 4.39Å; F151-L155 HydrophobicContact CZ-CD1 3.88Å; F151-L155 HydrophobicContact CZ-CD2 4Å; F151-L155 HydrophobicContact CZ-CG 4.07Å; F151-L155 WeakPolarHBondContact O-CB 3.24Å; F151-L155 VanDerWaalsContact O-CG 3.29Å; F151-L155 WeakPolarHBondContact O-CG 3.46Å; F151-L155 PolarHBondContact O-N 3.02Å; L155-S157 PolarHBondContact O-N 3.2Å; L155-L158 HydrophobicContact CD2-CD1 4.44Å; L155-L158 PolarHBondContact O-N 3.16Å; L155-A167 HydrophobicContact CD2-CB 3.7Å
156	L	85.5	Confident	83.5	Confident	140 Å²	140	92.4 Å²	92.4	73%	0.733	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	1.7	174.1	-70.2	170.3	0	0	0	114.7	K152 F154	K152-L156 HydrophobicContact CG-CD1 4.39Å; K152-L156 VanDerWaalsContact O-CG 3.28Å; K152-L156 WeakPolarHBondContact O-CG 3.35Å; K152-L156 PolarHBondContact O-N 2.93Å; K152-L156 VanDerWaalsContact O-N 3.1Å; F154-L156 VanDerWaalsContact C-N 3.32Å; F154-L156 PolarHBondContact O-N 3.42Å
157	S	82	Confident	84.5	Confident	63 Å²	63	88.5 Å²	88.5	44%	0.441	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	10.4	171.5	59.6	0	0	0	0	113.8	K149 E153 F154 L155	K149-S157 PolarHBondContact NZ-OG 2.71Å; E153-S157 PolarHBondContact O-OG 3.24Å; F154-S157 CarbonylContact O-C 3.55Å; F154-S157 WeakPolarHBondContact O-CA 3.47Å; F154-S157 PolarHBondContact O-N 2.87Å; F154-S157 PolarHBondContact O-OG 3.08Å; L155-S157 PolarHBondContact O-N 3.2Å
158	L	83.9	Confident	85	Confident	44 Å²	44	85.5 Å²	85.5	23%	0.23	45%	0.452	C	S	.	.	S	Bend	trans	-95.7	169.8	162.3	-64	-176.5	0	0	0	109.7	F154 L155 V162 A167	F154-L158 HydrophobicContact CD1-CD1 4.24Å; F154-L158 HydrophobicContact CD1-CG 4.48Å; F154-L158 HydrophobicContact CE1-CD1 3.8Å; F154-L158 HydrophobicContact CE1-CD2 4.29Å; F154-L158 HydrophobicContact CE1-CG 4.17Å; F154-L158 HydrophobicContact CZ-CD2 4.24Å; F154-L158 PolarHBondContact O-N 3.09Å; L155-L158 HydrophobicContact CD2-CD1 4.44Å; L155-L158 PolarHBondContact O-N 3.16Å; L158-V162 HydrophobicContact CB-CG2 4.49Å; L158-V162 HydrophobicContact CD1-CG1 4.32Å; L158-A167 HydrophobicContact CD1-CB 3.97Å
159	D	84.4	Confident	85.3	Confident	108 Å²	108	88.2 Å²	88.2	58%	0.578	46%	0.462	S	S	*	.			trans	-85.2	149.4	171.2	-177.4	38.3	0	0	0	110.5	S161 V162	D159-S161 PolarHBondContact O-N 3.03Å; D159-S161 WeakPolarHBondContact OD2-CB 3.36Å; D159-S161 PolarHBondContact OD2-OG 3.22Å; D159-V162 WeakPolarHBondContact O-CG2 3.46Å; D159-V162 PolarHBondContact O-N 3.39Å
160	D	77.8	Confident	85.5	Confident	174 Å²	174	88.3 Å²	88.3	93%	0.93	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-6.5	-178.3	-72.7	-28.7	0	0	0	112.9
161	S	81.5	Confident	85.6	Confident	90 Å²	90	87.6 Å²	87.6	63%	0.629	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.7	175.6	68.5	0	0	0	0	115	D159	D159-S161 PolarHBondContact O-N 3.03Å; D159-S161 WeakPolarHBondContact OD2-CB 3.36Å; D159-S161 PolarHBondContact OD2-OG 3.22Å
162	V	85	Confident	85.7	Confident	27 Å²	27	88.2 Å²	88.2	16%	0.164	46%	0.456	C	S	.	.	S	Bend	trans	-89.4	119.9	-174	-177	0	0	0	0	111.6	L158 D159 E166 A167 R170	L158-V162 HydrophobicContact CB-CG2 4.49Å; L158-V162 HydrophobicContact CD1-CG1 4.32Å; D159-V162 WeakPolarHBondContact O-CG2 3.46Å; D159-V162 PolarHBondContact O-N 3.39Å; V162-E166 HydrophobicContact CG1-CB 4.04Å; V162-E166 HydrophobicContact CG1-CG 4.46Å; V162-A167 HydrophobicContact CG1-CB 4.19Å; V162-R170 VanDerWaalsContact CG2-NH1 3.3Å
163	D	87.1	Confident	85.8	Confident	118 Å²	118	84.5 Å²	84.5	63%	0.631	44%	0.442	S	S	*	.			trans	-57.7	145.6	176.5	-77.8	-42.5	0	0	0	112.8	T165 E166 A167	D163-T165 VanDerWaalsContact C-N 3.26Å; D163-T165 PolarHBondContact O-N 2.98Å; D163-E166 CarbonylContact O-C 3.59Å; D163-E166 WeakPolarHBondContact O-CA 3.4Å; D163-E166 PolarHBondContact O-N 3.47Å; D163-A167 PolarHBondContact O-N 3.45Å
164	E	84.4	Confident	86	Confident	160 Å²	160	81.8 Å²	81.8	75%	0.748	43%	0.427	S	S	*	.	H	α-helix	trans	-54.4	-40.3	-178.5	-176.7	177.7	-162.2	0	0	112.9	E166 A167 V168	E164-E166 PolarHBondContact O-N 3.44Å; E164-A167 PolarHBondContact O-N 2.96Å; E164-V168 WeakPolarHBondContact O-CG2 3.49Å; E164-V168 PolarHBondContact O-N 3.27Å
165	T	86	Confident	86	Confident	117 Å²	117	84.7 Å²	84.7	72%	0.718	44%	0.44	S	S	*	.	H	α-helix	trans	-66.9	-36.3	178.4	58.5	0	0	0	0	112.1	D163 K169	D163-T165 VanDerWaalsContact C-N 3.26Å; D163-T165 PolarHBondContact O-N 2.98Å; T165-K169 PolarHBondContact O-N 3.46Å; T165-K169 VanDerWaalsContact O-N 3.13Å
166	E	87.9	Confident	86.1	Confident	76 Å²	76	83.7 Å²	83.7	36%	0.355	43%	0.434	S	S	.	.	H	α-helix	trans	-74.6	-39.5	174.6	-159.7	-168.7	179.3	0	0	111.2	V162 D163 E164 V168 K169 R170	V162-E166 HydrophobicContact CG1-CB 4.04Å; V162-E166 HydrophobicContact CG1-CG 4.46Å; D163-E166 CarbonylContact O-C 3.59Å; D163-E166 WeakPolarHBondContact O-CA 3.4Å; D163-E166 PolarHBondContact O-N 3.47Å; E164-E166 PolarHBondContact O-N 3.44Å; E166-V168 VanDerWaalsContact C-N 3.33Å; E166-V168 PolarHBondContact O-N 2.96Å; E166-K169 WeakPolarHBondContact O-CB 3.39Å; E166-K169 PolarHBondContact O-N 3.41Å; E166-K169 VanDerWaalsContact O-N 3.1Å; E166-R170 VanDerWaalsContact CD-CZ 3.45Å; E166-R170 HydrophobicContact CG-CG 4.24Å; E166-R170 WeakPolarHBondContact O-CB 3.28Å; E166-R170 WeakPolarHBondContact O-CG 3.48Å; E166-R170 PolarHBondContact O-N 3.35Å; E166-R170 IonicContact OE1-CZ 3.33Å; E166-R170 IonicContact OE1-NE 2.95Å; E166-R170 PolarHBondContact OE1-NE 3.27Å; E166-R170 IonicContact OE1-NH2 3.41Å; E166-R170 PolarHBondContact OE1-NH2 2.63Å; E166-R170 IonicContact OE2-CZ 2.78Å; E166-R170 IonicContact OE2-NE 2.87Å; E166-R170 IonicContact OE2-NH2 2.63Å; E166-R170 PolarHBondContact OE2-NH2 2.79Å
167	A	87.1	Confident	86.2	Confident	3 Å²	3	80.7 Å²	80.7	3%	0.025	42%	0.419	C	S	.	.	H	α-helix	trans	-60.3	-41.3	175.6	0	0	0	0	0	112	L155 L158 V162 D163 E164 Y171	L155-A167 HydrophobicContact CD2-CB 3.7Å; L158-A167 HydrophobicContact CD1-CB 3.97Å; V162-A167 HydrophobicContact CG1-CB 4.19Å; D163-A167 PolarHBondContact O-N 3.45Å; E164-A167 PolarHBondContact O-N 2.96Å; A167-Y171 VanDerWaalsContact O-CB 3.28Å; A167-Y171 WeakPolarHBondContact O-CB 3.47Å; A167-Y171 PolarHBondContact O-N 2.78Å
168	V	88.2	Confident	86.5	Confident	61 Å²	61	78.8 Å²	78.8	37%	0.37	40%	0.403	S	S	.	.	H	α-helix	trans	-65	-40.1	172.3	170.5	0	0	0	0	111.6	F151 E164 E166 Y171 N172	F151-V168 HydrophobicContact CE2-CG2 4.46Å; F151-V168 HydrophobicContact CZ-CG2 3.83Å; E164-V168 WeakPolarHBondContact O-CG2 3.49Å; E164-V168 PolarHBondContact O-N 3.27Å; E166-V168 VanDerWaalsContact C-N 3.33Å; E166-V168 PolarHBondContact O-N 2.96Å; V168-Y171 PolarHBondContact O-N 2.87Å; V168-N172 PolarHBondContact O-N 3.29Å; V168-N172 PolarHBondContact O-ND2 2.92Å
169	K	89.4	Confident	86.5	Confident	117 Å²	117	81.6 Å²	81.6	51%	0.509	41%	0.41	S	S	.	.	H	α-helix	trans	-63.4	-52.9	175.8	-179.3	176.2	175	-66.7	0	111.6	T165 E166 Y171 N172 E173	T165-K169 PolarHBondContact O-N 3.46Å; T165-K169 VanDerWaalsContact O-N 3.13Å; E166-K169 WeakPolarHBondContact O-CB 3.39Å; E166-K169 PolarHBondContact O-N 3.41Å; E166-K169 VanDerWaalsContact O-N 3.1Å; K169-Y171 VanDerWaalsContact C-N 3.26Å; K169-Y171 PolarHBondContact O-N 2.95Å; K169-N172 PolarHBondContact O-N 3.42Å; K169-N172 VanDerWaalsContact O-N 3.08Å; K169-E173 WeakPolarHBondContact CE-OE1 3.42Å; K169-E173 IonicContact NZ-OE1 3.93Å; K169-E173 PolarHBondContact NZ-OE1 3.02Å; K169-E173 IonicContact NZ-OE2 2.87Å; K169-E173 WeakPolarHBondContact O-CG 3.36Å; K169-E173 PolarHBondContact O-N 3.35Å
170	R	87.9	Confident	86.7	Confident	84 Å²	84	80.9 Å²	80.9	32%	0.317	40%	0.399	S	S	.	.	H	α-helix	trans	-59	-34.2	176.5	-69.4	178.4	-175.5	-176.3	9	112.1	F154 V162 E166 Y174	F154-R170 HydrophobicContact CE1-CB 4.14Å; F154-R170 HydrophobicContact CZ-CB 4.06Å; F154-R170 WeakPolarHBondContact CZ-O 3.4Å; V162-R170 VanDerWaalsContact CG2-NH1 3.3Å; E166-R170 VanDerWaalsContact CD-CZ 3.45Å; E166-R170 HydrophobicContact CG-CG 4.24Å; E166-R170 WeakPolarHBondContact O-CB 3.28Å; E166-R170 WeakPolarHBondContact O-CG 3.48Å; E166-R170 PolarHBondContact O-N 3.35Å; E166-R170 IonicContact OE1-CZ 3.33Å; E166-R170 IonicContact OE1-NE 2.95Å; E166-R170 PolarHBondContact OE1-NE 3.27Å; E166-R170 IonicContact OE1-NH2 3.41Å; E166-R170 PolarHBondContact OE1-NH2 2.63Å; E166-R170 IonicContact OE2-CZ 2.78Å; E166-R170 IonicContact OE2-NE 2.87Å; E166-R170 IonicContact OE2-NH2 2.63Å; E166-R170 PolarHBondContact OE2-NH2 2.79Å; R170-Y174 WeakPolarHBondContact O-CB 3.41Å; R170-Y174 PolarHBondContact O-N 2.91Å
171	Y	88.4	Confident	87.2	Confident	36 Å²	36	77.6 Å²	77.6	14%	0.141	38%	0.379	C	S	.	.	H	α-helix	trans	-70.9	-38.4	174.6	-177.7	-123.3	0	0	0	112.7	F151 F154 A167 V168 K169 Y174 K175	F151-Y171 HydrophobicContact CB-CD1 4.13Å; F151-Y171 HydrophobicContact CB-CE1 3.61Å; F151-Y171 HydrophobicContact CB-CE2 4.24Å; F151-Y171 AromaticContact CD2-CD1 3.36Å; F151-Y171 HydrophobicContact CD2-CD1 3.36Å; F151-Y171 AromaticContact CD2-CD2 3.96Å; F151-Y171 HydrophobicContact CD2-CD2 3.96Å; F151-Y171 AromaticContact CD2-CE1 3.8Å; F151-Y171 HydrophobicContact CD2-CE1 3.8Å; F151-Y171 HydrophobicContact CD2-CE2 4.35Å; F151-Y171 AromaticContact CD2-CG 3.44Å; F151-Y171 HydrophobicContact CD2-CG 3.44Å; F151-Y171 VanDerWaalsContact CD2-CG 3.44Å; F151-Y171 HydrophobicContact CE2-CD1 4.02Å; F151-Y171 HydrophobicContact CE2-CG 4.01Å; F151-Y171 AromaticContact CG-CD1 3.98Å; F151-Y171 HydrophobicContact CG-CD1 3.98Å; F151-Y171 AromaticContact CG-CE1 3.97Å; F151-Y171 HydrophobicContact CG-CE1 3.97Å; F151-Y171 HydrophobicContact CG-CG 4.4Å; F151-Y171 PolarHBondContact N-OH 3.12Å; F151-Y171 VanDerWaalsContact N-OH 3.13Å; F154-Y171 HydrophobicContact CB-CD2 3.77Å; F154-Y171 HydrophobicContact CB-CE2 4.02Å; F154-Y171 AromaticContact CD1-CD2 3.64Å; F154-Y171 HydrophobicContact CD1-CD2 3.64Å; F154-Y171 HydrophobicContact CD1-CG 4.07Å; F154-Y171 HydrophobicContact CD2-CD2 4.2Å; F154-Y171 VanDerWaalsContact CE1-CA 3.5Å; F154-Y171 HydrophobicContact CE1-CD2 4.26Å; F154-Y171 HydrophobicContact CE1-CG 4.46Å; F154-Y171 AromaticContact CG-CD2 3.6Å; F154-Y171 HydrophobicContact CG-CD2 3.6Å; F154-Y171 HydrophobicContact CG-CE2 4.31Å; F154-Y171 HydrophobicContact CG-CG 4.47Å; A167-Y171 VanDerWaalsContact O-CB 3.28Å; A167-Y171 WeakPolarHBondContact O-CB 3.47Å; A167-Y171 PolarHBondContact O-N 2.78Å; V168-Y171 PolarHBondContact O-N 2.87Å; K169-Y171 VanDerWaalsContact C-N 3.26Å; K169-Y171 PolarHBondContact O-N 2.95Å; Y171-Y174 AromaticContact CD2-CD1 3.84Å; Y171-Y174 HydrophobicContact CD2-CD1 3.84Å; Y171-Y174 AromaticContact CE2-CD1 3.96Å; Y171-Y174 HydrophobicContact CE2-CD1 3.96Å; Y171-Y174 HydrophobicContact CE2-CE1 4.29Å; Y171-Y174 PolarHBondContact O-N 2.92Å; Y171-K175 HydrophobicContact CD1-CD 4.12Å; Y171-K175 HydrophobicContact CD2-CG 4.41Å; Y171-K175 HydrophobicContact CE1-CD 3.63Å; Y171-K175 HydrophobicContact CE1-CG 4.3Å; Y171-K175 HydrophobicContact CE2-CD 4.29Å; Y171-K175 HydrophobicContact CE2-CG 4.11Å; Y171-K175 WeakPolarHBondContact O-CG 3.38Å; Y171-K175 PolarHBondContact O-N 2.88Å
172	N	88.7	Confident	87.4	Confident	82 Å²	82	78.2 Å²	78.2	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-67	-37.6	174.1	-76.8	-61.1	0	0	0	112.1	V168 K169 K175 I176	V168-N172 PolarHBondContact O-N 3.29Å; V168-N172 PolarHBondContact O-ND2 2.92Å; K169-N172 PolarHBondContact O-N 3.42Å; K169-N172 VanDerWaalsContact O-N 3.08Å; N172-K175 PolarHBondContact O-N 3Å; N172-I176 WeakPolarHBondContact O-CG1 3.48Å; N172-I176 PolarHBondContact O-N 3.46Å; N172-I176 VanDerWaalsContact O-N 3.15Å
173	E	88.6	Confident	87.5	Confident	77 Å²	77	77.5 Å²	77.5	36%	0.36	37%	0.367	S	S	.	.	H	α-helix	trans	-61	-51	170.3	-71.3	163	172.1	0	0	110.4	K169 K175 I176 D177	K169-E173 WeakPolarHBondContact CE-OE1 3.42Å; K169-E173 IonicContact NZ-OE1 3.93Å; K169-E173 PolarHBondContact NZ-OE1 3.02Å; K169-E173 IonicContact NZ-OE2 2.87Å; K169-E173 WeakPolarHBondContact O-CG 3.36Å; K169-E173 PolarHBondContact O-N 3.35Å; E173-K175 VanDerWaalsContact C-N 3.32Å; E173-K175 PolarHBondContact O-N 2.82Å; E173-I176 CarbonylContact O-C 3.59Å; E173-I176 WeakPolarHBondContact O-CA 3.36Å; E173-I176 WeakPolarHBondContact O-CB 3.32Å; E173-I176 PolarHBondContact O-N 3.39Å; E173-D177 PolarHBondContact O-N 3.11Å
174	Y	89.7	Confident	87.6	Confident	48 Å²	48	73.9 Å²	73.9	19%	0.188	35%	0.346	C	S	.	.	H	α-helix	trans	-55	-40.6	172.8	169.1	-104.6	0	0	0	113.4	M148 K149 F154 R170 Y171 I176 D177 F178	M148-Y174 HydrophobicContact CG-CE1 4.08Å; K149-Y174 HydrophobicContact CB-CE1 3.91Å; K149-Y174 PolarHBondContact N-OH 3.45Å; F154-Y174 AromaticContact CD2-CD1 3.7Å; F154-Y174 HydrophobicContact CD2-CD1 3.7Å; F154-Y174 HydrophobicContact CD2-CD2 4.25Å; F154-Y174 HydrophobicContact CD2-CE1 4.22Å; F154-Y174 AromaticContact CD2-CG 3.72Å; F154-Y174 HydrophobicContact CD2-CG 3.72Å; F154-Y174 VanDerWaalsContact CE2-CB 3.47Å; F154-Y174 AromaticContact CE2-CD1 3.99Å; F154-Y174 HydrophobicContact CE2-CD1 3.99Å; F154-Y174 HydrophobicContact CE2-CD2 4.02Å; F154-Y174 AromaticContact CE2-CG 3.53Å; F154-Y174 HydrophobicContact CE2-CG 3.53Å; F154-Y174 HydrophobicContact CG-CD1 4.4Å; F154-Y174 HydrophobicContact CZ-CG 4.41Å; R170-Y174 WeakPolarHBondContact O-CB 3.41Å; R170-Y174 PolarHBondContact O-N 2.91Å; Y171-Y174 AromaticContact CD2-CD1 3.84Å; Y171-Y174 HydrophobicContact CD2-CD1 3.84Å; Y171-Y174 AromaticContact CE2-CD1 3.96Å; Y171-Y174 HydrophobicContact CE2-CD1 3.96Å; Y171-Y174 HydrophobicContact CE2-CE1 4.29Å; Y171-Y174 PolarHBondContact O-N 2.92Å; Y174-I176 PolarHBondContact O-N 3.28Å; Y174-D177 PolarHBondContact O-N 2.83Å; Y174-F178 HydrophobicContact CE2-CB 4.22Å; Y174-F178 HydrophobicContact CE2-CD2 4.34Å; Y174-F178 WeakPolarHBondContact O-CB 3.5Å; Y174-F178 PolarHBondContact O-N 2.85Å
175	K	87.9	Confident	87.7	Confident	81 Å²	81	69.1 Å²	69.1	35%	0.352	33%	0.325	S	S	.	.	H	α-helix	trans	-69	-19.5	175.8	-73.2	-175.2	72.4	177.8	0	113.5	M148 Y171 N172 E173 R179	M148-K175 HydrophobicContact CE-CB 4.46Å; M148-K175 HydrophobicContact CE-CG 4.38Å; M148-K175 HydrophobicContact SD-CD 4.31Å; M148-K175 HydrophobicContact SD-CG 3.83Å; Y171-K175 HydrophobicContact CD1-CD 4.12Å; Y171-K175 HydrophobicContact CD2-CG 4.41Å; Y171-K175 HydrophobicContact CE1-CD 3.63Å; Y171-K175 HydrophobicContact CE1-CG 4.3Å; Y171-K175 HydrophobicContact CE2-CD 4.29Å; Y171-K175 HydrophobicContact CE2-CG 4.11Å; Y171-K175 WeakPolarHBondContact O-CG 3.38Å; Y171-K175 PolarHBondContact O-N 2.88Å; N172-K175 PolarHBondContact O-N 3Å; E173-K175 VanDerWaalsContact C-N 3.32Å; E173-K175 PolarHBondContact O-N 2.82Å; K175-R179 WeakPolarHBondContact O-CG 3.5Å; K175-R179 PolarHBondContact O-NE 2.89Å
176	I	86.7	Confident	87.9	Confident	51 Å²	51	64.4 Å²	64.4	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-83.4	-51.6	170.5	-68.4	165.6	0	0	0	109.1	N172 E173 Y174 F178 R179 R180 K700	N172-I176 WeakPolarHBondContact O-CG1 3.48Å; N172-I176 PolarHBondContact O-N 3.46Å; N172-I176 VanDerWaalsContact O-N 3.15Å; E173-I176 CarbonylContact O-C 3.59Å; E173-I176 WeakPolarHBondContact O-CA 3.36Å; E173-I176 WeakPolarHBondContact O-CB 3.32Å; E173-I176 PolarHBondContact O-N 3.39Å; Y174-I176 PolarHBondContact O-N 3.28Å; I176-F178 PolarHBondContact O-N 2.84Å; I176-R179 WeakPolarHBondContact O-CA 3.16Å; I176-R179 PolarHBondContact O-N 3.31Å; I176-R180 HydrophobicContact CG2-CG 4.42Å; I176-R180 WeakPolarHBondContact O-CG 3.09Å; I176-R180 PolarHBondContact O-N 3.31Å; I176-K700 WeakPolarHBondContact CG2-O 3.45Å
177	D	87.1	Confident	88	Confident	77 Å²	77	61.2 Å²	61.2	41%	0.412	28%	0.28	S	S	.	.	H	α-helix	trans	-65.9	-36.2	-176.9	-67.8	-34.6	0	0	0	113.2	E173 Y174 R179 R180 Q181	E173-D177 PolarHBondContact O-N 3.11Å; Y174-D177 PolarHBondContact O-N 2.83Å; D177-R179 VanDerWaalsContact C-N 3.3Å; D177-R179 PolarHBondContact O-N 2.81Å; D177-R180 WeakPolarHBondContact O-CB 3.41Å; D177-R180 PolarHBondContact O-N 3.05Å; D177-R180 WeakPolarHBondContact OD1-CD 3.24Å; D177-R180 IonicContact OD1-CZ 3.58Å; D177-R180 IonicContact OD1-NE 3.96Å; D177-R180 IonicContact OD1-NH1 3.87Å; D177-R180 PolarHBondContact OD1-NH1 2.92Å; D177-Q181 WeakPolarHBondContact O-CB 3.36Å; D177-Q181 PolarHBondContact O-N 3.16Å
178	F	87.8	Confident	88.2	Confident	23 Å²	23	65.6 Å²	65.6	10%	0.101	30%	0.303	C	S	.	.	H	α-helix	trans	-59.9	-39.8	170.3	-179.9	-84.6	0	0	0	111.9	P146 I147 M148 Y174 I176 Q182	P146-F178 HydrophobicContact CB-CE2 4.36Å; P146-F178 WeakPolarHBondContact O-CZ 3.43Å; I147-F178 VanDerWaalsContact C-CZ 3.47Å; M148-F178 HydrophobicContact CB-CD1 3.92Å; M148-F178 HydrophobicContact CB-CD2 4.48Å; M148-F178 HydrophobicContact CB-CE1 3.7Å; M148-F178 HydrophobicContact CB-CE2 4.27Å; M148-F178 HydrophobicContact CB-CG 4.31Å; M148-F178 HydrophobicContact CB-CZ 3.89Å; M148-F178 HydrophobicContact CE-CB 4.37Å; M148-F178 HydrophobicContact CE-CD1 3.44Å; M148-F178 VanDerWaalsContact CE-CD1 3.44Å; M148-F178 HydrophobicContact CE-CE1 4.09Å; M148-F178 HydrophobicContact CE-CG 4.14Å; M148-F178 HydrophobicContact CG-CD1 4.14Å; M148-F178 HydrophobicContact CG-CE1 4.43Å; M148-F178 HydrophobicContact CG-CG 4.29Å; Y174-F178 HydrophobicContact CE2-CB 4.22Å; Y174-F178 HydrophobicContact CE2-CD2 4.34Å; Y174-F178 WeakPolarHBondContact O-CB 3.5Å; Y174-F178 PolarHBondContact O-N 2.85Å; I176-F178 PolarHBondContact O-N 2.84Å; F178-Q182 HydrophobicContact CE1-CB 4.47Å; F178-Q182 VanDerWaalsContact O-CB 3.27Å; F178-Q182 WeakPolarHBondContact O-CB 3.5Å; F178-Q182 PolarHBondContact O-N 3.11Å
179	R	85.7	Confident	88.1	Confident	103 Å²	103	66 Å²	66	39%	0.389	31%	0.312	S	S	.	.	H	α-helix	trans	-73.3	-35.7	177.4	-73.3	-175.8	-66.5	156	4.4	112.2	M148 K175 I176 D177 M183 M701	M148-R179 HydrophobicContact CE-CG 4.13Å; K175-R179 WeakPolarHBondContact O-CG 3.5Å; K175-R179 PolarHBondContact O-NE 2.89Å; I176-R179 WeakPolarHBondContact O-CA 3.16Å; I176-R179 PolarHBondContact O-N 3.31Å; D177-R179 VanDerWaalsContact C-N 3.3Å; D177-R179 PolarHBondContact O-N 2.81Å; R179-M183 WeakPolarHBondContact O-CB 3.14Å; R179-M183 WeakPolarHBondContact O-CG 3.33Å; R179-M183 PolarHBondContact O-N 3.13Å; R179-M701 HydrophobicContact CB-CE 3.89Å
180	R	88.4	Confident	88.1	Confident	93 Å²	93	61.5 Å²	61.5	35%	0.351	29%	0.293	S	S	.	.	H	α-helix	trans	-59	-50.8	170	-69.2	171.5	175.8	170.8	-12.3	110.4	I176 D177 M183 Q184 K700	I176-R180 HydrophobicContact CG2-CG 4.42Å; I176-R180 WeakPolarHBondContact O-CG 3.09Å; I176-R180 PolarHBondContact O-N 3.31Å; D177-R180 WeakPolarHBondContact O-CB 3.41Å; D177-R180 PolarHBondContact O-N 3.05Å; D177-R180 WeakPolarHBondContact OD1-CD 3.24Å; D177-R180 IonicContact OD1-CZ 3.58Å; D177-R180 IonicContact OD1-NE 3.96Å; D177-R180 IonicContact OD1-NH1 3.87Å; D177-R180 PolarHBondContact OD1-NH1 2.92Å; R180-M183 PolarHBondContact O-N 3.3Å; R180-Q184 WeakPolarHBondContact O-CB 3.34Å; R180-Q184 PolarHBondContact O-N 2.76Å; R180-K700 VanDerWaalsContact CZ-O 3.3Å; R180-K700 PolarHBondContact NE-O 2.88Å; R180-K700 PolarHBondContact NH2-O 2.98Å
181	Q	87.4	Confident	88.2	Confident	106 Å²	106	59.2 Å²	59.2	50%	0.495	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-49.4	178.3	-169.9	63.8	45.9	0	0	111.1	D177 M183 Q184 D185	D177-Q181 WeakPolarHBondContact O-CB 3.36Å; D177-Q181 PolarHBondContact O-N 3.16Å; Q181-M183 VanDerWaalsContact C-N 3.27Å; Q181-M183 PolarHBondContact O-N 3.31Å; Q181-Q184 CarbonylContact O-C 3.6Å; Q181-Q184 PolarHBondContact O-N 2.89Å; Q181-D185 PolarHBondContact NE2-OD1 3.3Å; Q181-D185 WeakPolarHBondContact O-CB 3.34Å; Q181-D185 PolarHBondContact O-N 3.39Å
182	Q	85.8	Confident	88.2	Confident	103 Å²	103	62.8 Å²	62.8	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-56.5	-39.2	176.9	-176.7	-178.1	64.6	0	0	112.6	F178 F186	F178-Q182 HydrophobicContact CE1-CB 4.47Å; F178-Q182 VanDerWaalsContact O-CB 3.27Å; F178-Q182 WeakPolarHBondContact O-CB 3.5Å; F178-Q182 PolarHBondContact O-N 3.11Å; Q182-F186 WeakPolarHBondContact O-CB 3.33Å; Q182-F186 PolarHBondContact O-N 2.99Å
183	M	86.8	Confident	88.1	Confident	12 Å²	12	60.3 Å²	60.3	6%	0.059	29%	0.293	C	S	.	.	H	α-helix	trans	-73.8	-36	175.8	-74.5	-178.7	56.8	0	0	112.9	R179 R180 Q181 F187 M701 F766 L767 R772	R179-M183 WeakPolarHBondContact O-CB 3.14Å; R179-M183 WeakPolarHBondContact O-CG 3.33Å; R179-M183 PolarHBondContact O-N 3.13Å; R180-M183 PolarHBondContact O-N 3.3Å; Q181-M183 VanDerWaalsContact C-N 3.27Å; Q181-M183 PolarHBondContact O-N 3.31Å; M183-F187 VanDerWaalsContact O-CB 3.31Å; M183-F187 WeakPolarHBondContact O-CB 3.46Å; M183-F187 PolarHBondContact O-N 2.58Å; M183-M701 HydrophobicContact SD-CE 3.33Å; M183-M701 WeakPolarHBondContact SD-CE 3.36Å; M183-F766 HydrophobicContact CB-CE1 4.17Å; M183-F766 HydrophobicContact CE-CE1 4.15Å; M183-F766 HydrophobicContact CG-CE1 4.46Å; M183-L767 HydrophobicContact CE-CB 3.94Å; M183-L767 HydrophobicContact CE-CD1 4.35Å; M183-L767 HydrophobicContact CE-CG 3.79Å; M183-R772 PolarHBondContact SD-NE 3.07Å; M183-R772 VanDerWaalsContact SD-NE 3.43Å
184	Q	88.8	Confident	88	Confident	41 Å²	41	58.7 Å²	58.7	19%	0.192	29%	0.285	C	S	.	.	H	α-helix	trans	-68	-41.2	175	-176.7	59.2	91	0	0	111.7	R180 Q181 L188	R180-Q184 WeakPolarHBondContact O-CB 3.34Å; R180-Q184 PolarHBondContact O-N 2.76Å; Q181-Q184 CarbonylContact O-C 3.6Å; Q181-Q184 PolarHBondContact O-N 2.89Å; Q184-L188 HydrophobicContact CG-CD1 4.2Å; Q184-L188 WeakPolarHBondContact O-CB 3.21Å; Q184-L188 VanDerWaalsContact O-CG 3.24Å; Q184-L188 WeakPolarHBondContact O-CG 3.41Å; Q184-L188 PolarHBondContact O-N 3.35Å
185	D	88.1	Confident	87.9	Confident	60 Å²	60	57.4 Å²	57.4	32%	0.321	28%	0.28	S	S	.	.	H	α-helix	trans	-66.6	-45.9	175.7	-66.8	-19.3	0	0	0	111	Q181 F187 L188 A189	Q181-D185 PolarHBondContact NE2-OD1 3.3Å; Q181-D185 WeakPolarHBondContact O-CB 3.34Å; Q181-D185 PolarHBondContact O-N 3.39Å; D185-F187 VanDerWaalsContact C-N 3.34Å; D185-F187 PolarHBondContact O-N 2.87Å; D185-L188 PolarHBondContact O-N 2.88Å; D185-A189 WeakPolarHBondContact O-CB 3.37Å; D185-A189 PolarHBondContact O-N 3.3Å
186	F	89.3	Confident	87.9	Confident	19 Å²	19	53.5 Å²	53.5	8%	0.083	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-43	176	-172.4	-86.2	0	0	0	111.6	Q182 A189 H190 W195 F196 F475 F766 P773 L775	Q182-F186 WeakPolarHBondContact O-CB 3.33Å; Q182-F186 PolarHBondContact O-N 2.99Å; F186-A189 PolarHBondContact O-N 2.77Å; F186-H190 AromaticContact CD1-CD2 3.9Å; F186-H190 AromaticContact CD2-CD2 3.71Å; F186-H190 AromaticContact CD2-NE2 3.97Å; F186-H190 AromaticContact CE1-CD2 3.66Å; F186-H190 AromaticContact CE2-CD2 3.45Å; F186-H190 VanDerWaalsContact CE2-CD2 3.45Å; F186-H190 WeakPolarHBondContact CE2-CD2 3.4Å; F186-H190 AromaticContact CE2-NE2 3.51Å; F186-H190 AromaticContact CG-CD2 3.93Å; F186-H190 AromaticContact CZ-CD2 3.42Å; F186-H190 VanDerWaalsContact CZ-CD2 3.42Å; F186-H190 WeakPolarHBondContact CZ-CD2 3.44Å; F186-H190 AromaticContact CZ-NE2 3.8Å; F186-H190 PolarHBondContact O-CD2 3.34Å; F186-H190 VanDerWaalsContact O-CD2 3.28Å; F186-H190 PolarHBondContact O-N 2.8Å; F186-H190 VanDerWaalsContact O-N 3.12Å; F186-W195 HydrophobicContact CZ-CH2 4.38Å; F186-F196 HydrophobicContact CD1-CE2 4.35Å; F186-F196 HydrophobicContact CE1-CD2 4.42Å; F186-F196 AromaticContact CE1-CE2 3.95Å; F186-F196 HydrophobicContact CE1-CE2 3.95Å; F186-F475 AromaticContact CE2-CE2 3.81Å; F186-F475 HydrophobicContact CE2-CE2 3.81Å; F186-F475 AromaticContact CE2-CZ 3.63Å; F186-F475 HydrophobicContact CE2-CZ 3.63Å; F186-F475 HydrophobicContact CZ-CE1 4.3Å; F186-F475 HydrophobicContact CZ-CE2 4.06Å; F186-F475 AromaticContact CZ-CZ 3.65Å; F186-F475 HydrophobicContact CZ-CZ 3.65Å; F186-F766 HydrophobicContact CD1-CE1 4.32Å; F186-F766 AromaticContact CD1-CE2 3.8Å; F186-F766 HydrophobicContact CD1-CE2 3.8Å; F186-F766 AromaticContact CD1-CZ 3.48Å; F186-F766 HydrophobicContact CD1-CZ 3.48Å; F186-F766 VanDerWaalsContact CD1-CZ 3.48Å; F186-F766 AromaticContact CE1-CE2 3.97Å; F186-F766 HydrophobicContact CE1-CE2 3.97Å; F186-F766 HydrophobicContact CE1-CZ 4.13Å; F186-F766 HydrophobicContact CG-CZ 4.3Å; F186-P773 HydrophobicContact CE1-CB 4.19Å; F186-P773 HydrophobicContact CZ-CB 3.93Å; F186-L775 HydrophobicContact CD2-CG 4.43Å; F186-L775 HydrophobicContact CE2-CG 4.29Å
187	F	91.1	Very high	88.1	Confident	8 Å²	8	53.6 Å²	53.6	4%	0.035	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-49.9	173.4	177.9	-93.5	0	0	0	111.2	M183 D185 A189 H190 K191 F196 F762 F763 F766	M183-F187 VanDerWaalsContact O-CB 3.31Å; M183-F187 WeakPolarHBondContact O-CB 3.46Å; M183-F187 PolarHBondContact O-N 2.58Å; D185-F187 VanDerWaalsContact C-N 3.34Å; D185-F187 PolarHBondContact O-N 2.87Å; F187-A189 VanDerWaalsContact C-N 3.28Å; F187-A189 PolarHBondContact O-N 3.36Å; F187-H190 PolarHBondContact O-N 2.92Å; F187-K191 HydrophobicContact CD1-CB 4.26Å; F187-K191 HydrophobicContact CD1-CD 4.44Å; F187-K191 HydrophobicContact CE1-CB 3.97Å; F187-K191 HydrophobicContact CE1-CD 3.97Å; F187-K191 HydrophobicContact CE2-CB 4.31Å; F187-K191 HydrophobicContact CZ-CB 4Å; F187-K191 WeakPolarHBondContact O-CA 3.48Å; F187-K191 WeakPolarHBondContact O-CB 3.39Å; F187-K191 PolarHBondContact O-N 3.1Å; F187-F196 AromaticContact CD2-CE1 3.62Å; F187-F196 HydrophobicContact CD2-CE1 3.62Å; F187-F196 AromaticContact CD2-CZ 3.84Å; F187-F196 HydrophobicContact CD2-CZ 3.84Å; F187-F196 AromaticContact CE2-CE1 3.96Å; F187-F196 HydrophobicContact CE2-CE1 3.96Å; F187-F762 HydrophobicContact CE2-CB 4.37Å; F187-F762 AromaticContact CE2-CD1 3.88Å; F187-F762 HydrophobicContact CE2-CD1 3.88Å; F187-F762 AromaticContact CE2-CD2 3.89Å; F187-F762 HydrophobicContact CE2-CD2 3.89Å; F187-F762 HydrophobicContact CE2-CE1 4.15Å; F187-F762 HydrophobicContact CE2-CE2 4.15Å; F187-F762 AromaticContact CE2-CG 3.75Å; F187-F762 HydrophobicContact CE2-CG 3.75Å; F187-F762 HydrophobicContact CE2-CZ 4.28Å; F187-F762 HydrophobicContact CZ-CB 4.39Å; F187-F762 AromaticContact CZ-CD1 3.69Å; F187-F762 HydrophobicContact CZ-CD1 3.69Å; F187-F762 HydrophobicContact CZ-CE1 4.09Å; F187-F762 AromaticContact CZ-CG 3.94Å; F187-F762 HydrophobicContact CZ-CG 3.94Å; F187-F763 HydrophobicContact CB-CD2 3.9Å; F187-F763 HydrophobicContact CB-CE2 4.15Å; F187-F763 AromaticContact CD1-CD2 3.96Å; F187-F763 HydrophobicContact CD1-CD2 3.96Å; F187-F763 HydrophobicContact CD2-CB 4.25Å; F187-F763 AromaticContact CD2-CD2 3.83Å; F187-F763 HydrophobicContact CD2-CD2 3.83Å; F187-F763 HydrophobicContact CE1-CB 4.33Å; F187-F763 HydrophobicContact CE1-CD2 4.44Å; F187-F763 VanDerWaalsContact CE2-CA 3.48Å; F187-F763 HydrophobicContact CE2-CB 3.92Å; F187-F763 HydrophobicContact CE2-CD2 4.34Å; F187-F763 AromaticContact CG-CD2 3.62Å; F187-F763 HydrophobicContact CG-CD2 3.62Å; F187-F763 HydrophobicContact CG-CE2 4.35Å; F187-F763 HydrophobicContact CZ-CB 3.95Å; F187-F766 HydrophobicContact CB-CD1 4.27Å; F187-F766 HydrophobicContact CB-CE1 4.3Å; F187-F766 HydrophobicContact CD2-CD1 4.27Å
188	L	90.1	Very high	88.1	Confident	95 Å²	95	51.7 Å²	51.7	50%	0.497	25%	0.253	S	S	.	.	H	α-helix	trans	-62.7	-32.9	-179.7	-71.7	167.9	0	0	0	112.9	Q184 D185 K191	Q184-L188 HydrophobicContact CG-CD1 4.2Å; Q184-L188 WeakPolarHBondContact O-CB 3.21Å; Q184-L188 VanDerWaalsContact O-CG 3.24Å; Q184-L188 WeakPolarHBondContact O-CG 3.41Å; Q184-L188 PolarHBondContact O-N 3.35Å; D185-L188 PolarHBondContact O-N 2.88Å; L188-K191 HydrophobicContact CD2-CD 4.33Å
189	A	87.4	Confident	88	Confident	69 Å²	69	54.7 Å²	54.7	57%	0.57	27%	0.266	S	S	*	.	H	α-helix	trans	-72.3	-30.7	176.3	0	0	0	0	0	113.7	D185 F186 F187	D185-A189 WeakPolarHBondContact O-CB 3.37Å; D185-A189 PolarHBondContact O-N 3.3Å; F186-A189 PolarHBondContact O-N 2.77Å; F187-A189 VanDerWaalsContact C-N 3.28Å; F187-A189 PolarHBondContact O-N 3.36Å
190	H	87.9	Confident	88.3	Confident	24 Å²	24	50.1 Å²	50.1	11%	0.111	25%	0.249	C	C	.	.	H	α-helix	trans	-115.2	-7.8	-172	-64.7	-67	0	0	0	115.1	F186 F187 D192 E193 W195 F196 F475	F186-H190 AromaticContact CD1-CD2 3.9Å; F186-H190 AromaticContact CD2-CD2 3.71Å; F186-H190 AromaticContact CD2-NE2 3.97Å; F186-H190 AromaticContact CE1-CD2 3.66Å; F186-H190 AromaticContact CE2-CD2 3.45Å; F186-H190 VanDerWaalsContact CE2-CD2 3.45Å; F186-H190 WeakPolarHBondContact CE2-CD2 3.4Å; F186-H190 AromaticContact CE2-NE2 3.51Å; F186-H190 AromaticContact CG-CD2 3.93Å; F186-H190 AromaticContact CZ-CD2 3.42Å; F186-H190 VanDerWaalsContact CZ-CD2 3.42Å; F186-H190 WeakPolarHBondContact CZ-CD2 3.44Å; F186-H190 AromaticContact CZ-NE2 3.8Å; F186-H190 PolarHBondContact O-CD2 3.34Å; F186-H190 VanDerWaalsContact O-CD2 3.28Å; F186-H190 PolarHBondContact O-N 2.8Å; F186-H190 VanDerWaalsContact O-N 3.12Å; F187-H190 PolarHBondContact O-N 2.92Å; H190-D192 PolarHBondContact O-N 3.4Å; H190-E193 IonicContact CE1-OE2 3.45Å; H190-E193 IonicContact CG-OE2 2.78Å; H190-E193 IonicContact ND1-OE2 2.98Å; H190-E193 PolarHBondContact ND1-OE2 3.03Å; H190-E193 PolarHBondContact O-N 2.95Å; H190-W195 HydrophobicContact CB-CZ2 4.22Å; H190-W195 AromaticContact ND1-CZ2 3.87Å; H190-F196 HydrophobicContact CB-CB 4.29Å; H190-F196 HydrophobicContact CB-CD1 4.31Å; H190-F196 HydrophobicContact CB-CD2 4.16Å; H190-F196 HydrophobicContact CB-CG 4.01Å; H190-F196 WeakPolarHBondContact O-CB 3.36Å; H190-F196 WeakPolarHBondContact O-CD1 3.21Å; H190-F475 AromaticContact CE1-CD2 3.76Å; H190-F475 AromaticContact CE1-CE2 3.99Å; H190-F475 AromaticContact NE2-CE2 3.77Å
191	K	89.8	Confident	88.5	Confident	36 Å²	36	46.6 Å²	46.6	16%	0.157	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-24	-176.6	67.3	171.3	-155.6	79.6	0	114.9	F187 L188 R197 E759 F762	F187-K191 HydrophobicContact CD1-CB 4.26Å; F187-K191 HydrophobicContact CD1-CD 4.44Å; F187-K191 HydrophobicContact CE1-CB 3.97Å; F187-K191 HydrophobicContact CE1-CD 3.97Å; F187-K191 HydrophobicContact CE2-CB 4.31Å; F187-K191 HydrophobicContact CZ-CB 4Å; F187-K191 WeakPolarHBondContact O-CA 3.48Å; F187-K191 WeakPolarHBondContact O-CB 3.39Å; F187-K191 PolarHBondContact O-N 3.1Å; L188-K191 HydrophobicContact CD2-CD 4.33Å; K191-R197 WeakPolarHBondContact O-CD 3.3Å; K191-R197 WeakPolarHBondContact O-CG 3.38Å; K191-E759 IonicContact NZ-OE1 3.3Å; K191-E759 PolarHBondContact NZ-OE1 3.49Å; K191-F762 HydrophobicContact CB-CE1 3.8Å; K191-F762 HydrophobicContact CB-CZ 4.1Å; K191-F762 WeakPolarHBondContact O-CE1 3.32Å; K191-F762 WeakPolarHBondContact O-CZ 3.41Å
192	D	88.3	Confident	88.6	Confident	110 Å²	110	42.7 Å²	42.7	59%	0.588	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	0.1	-178.6	-59.2	-39.1	0	0	0	112.2	H190	H190-D192 PolarHBondContact O-N 3.4Å
193	E	87.6	Confident	88.8	Confident	30 Å²	30	41.4 Å²	41.4	14%	0.14	22%	0.216	C	C	.	.	S	Bend	trans	-87.7	129.2	174.5	-60.3	-162.5	122.8	0	0	112	H190 W195 F196 R197 P444 S445	H190-E193 IonicContact CE1-OE2 3.45Å; H190-E193 IonicContact CG-OE2 2.78Å; H190-E193 IonicContact ND1-OE2 2.98Å; H190-E193 PolarHBondContact ND1-OE2 3.03Å; H190-E193 PolarHBondContact O-N 2.95Å; E193-W195 VanDerWaalsContact C-N 3.27Å; E193-W195 PolarHBondContact O-N 2.96Å; E193-W195 VanDerWaalsContact O-N 3.13Å; E193-W195 PolarHBondContact OE2-NE1 3.07Å; E193-F196 PolarHBondContact O-N 2.89Å; E193-R197 WeakPolarHBondContact O-CG 3.39Å; E193-R197 PolarHBondContact O-N 3.21Å; E193-P444 WeakPolarHBondContact OE1-CB 3.48Å; E193-P444 WeakPolarHBondContact OE1-CG 3.36Å; E193-S445 PolarHBondContact OE1-N 2.84Å
194	E	86.2	Confident	88.9	Confident	44 Å²	44	42.7 Å²	42.7	21%	0.206	22%	0.222	C	C	.	.	H	α-helix	trans	-49.5	-43.1	-175.6	177.7	-164.3	-114.8	0	0	113.5	F196 R197 S198 S447 K448 R477	E194-F196 VanDerWaalsContact C-N 3.27Å; E194-F196 PolarHBondContact O-N 2.56Å; E194-R197 PolarHBondContact O-N 3.33Å; E194-S198 WeakPolarHBondContact O-CB 3.27Å; E194-S198 PolarHBondContact O-N 3.17Å; E194-S198 PolarHBondContact O-OG 2.87Å; E194-S447 WeakPolarHBondContact OE1-CA 3.28Å; E194-S447 VanDerWaalsContact OE1-CB 3.29Å; E194-S447 WeakPolarHBondContact OE1-CB 3.49Å; E194-K448 VanDerWaalsContact OE1-CB 3.27Å; E194-K448 WeakPolarHBondContact OE1-CB 3.29Å; E194-K448 PolarHBondContact OE1-N 2.77Å; E194-K448 PolarHBondContact OE2-N 3.39Å; E194-R477 IonicContact OE2-CZ 2.97Å; E194-R477 IonicContact OE2-NH1 3.78Å; E194-R477 PolarHBondContact OE2-NH1 3.3Å; E194-R477 IonicContact OE2-NH2 3.42Å
195	W	86.9	Confident	88.8	Confident	20 Å²	20	42 Å²	42	8%	0.076	22%	0.223	C	C	.	.	H	α-helix	trans	-64.6	-32.9	-176.4	72	-94.2	0	0	0	112.5	F186 H190 E193 P469 F475 P773	F186-W195 HydrophobicContact CZ-CH2 4.38Å; H190-W195 HydrophobicContact CB-CZ2 4.22Å; H190-W195 AromaticContact ND1-CZ2 3.87Å; E193-W195 VanDerWaalsContact C-N 3.27Å; E193-W195 PolarHBondContact O-N 2.96Å; E193-W195 VanDerWaalsContact O-N 3.13Å; E193-W195 PolarHBondContact OE2-NE1 3.07Å; W195-P469 HydrophobicContact CD2-CB 4.41Å; W195-P469 HydrophobicContact CD2-CG 3.71Å; W195-P469 HydrophobicContact CE3-CG 3.5Å; W195-P469 HydrophobicContact CG-CG 4.22Å; W195-P469 HydrophobicContact CH2-CG 4.41Å; W195-P469 HydrophobicContact CZ3-CG 3.87Å; W195-F475 HydrophobicContact CH2-CD1 4.14Å; W195-F475 HydrophobicContact CH2-CE1 4.35Å; W195-F475 HydrophobicContact CZ2-CB 4.41Å; W195-F475 HydrophobicContact CZ2-CD1 4.11Å; W195-F475 HydrophobicContact CZ2-CG 4.11Å; W195-P773 HydrophobicContact CH2-CB 4Å; W195-P773 HydrophobicContact CH2-CG 3.91Å; W195-P773 HydrophobicContact CZ3-CB 4.26Å; W195-P773 HydrophobicContact CZ3-CG 3.69Å
196	F	89.7	Confident	88.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-84.4	-41.1	-177.7	-174.6	-97.3	0	0	0	110.4	F186 F187 H190 E193 E194 K199 Y200 F762 F766	F186-F196 HydrophobicContact CD1-CE2 4.35Å; F186-F196 HydrophobicContact CE1-CD2 4.42Å; F186-F196 AromaticContact CE1-CE2 3.95Å; F186-F196 HydrophobicContact CE1-CE2 3.95Å; F187-F196 AromaticContact CD2-CE1 3.62Å; F187-F196 HydrophobicContact CD2-CE1 3.62Å; F187-F196 AromaticContact CD2-CZ 3.84Å; F187-F196 HydrophobicContact CD2-CZ 3.84Å; F187-F196 AromaticContact CE2-CE1 3.96Å; F187-F196 HydrophobicContact CE2-CE1 3.96Å; H190-F196 HydrophobicContact CB-CB 4.29Å; H190-F196 HydrophobicContact CB-CD1 4.31Å; H190-F196 HydrophobicContact CB-CD2 4.16Å; H190-F196 HydrophobicContact CB-CG 4.01Å; H190-F196 WeakPolarHBondContact O-CB 3.36Å; H190-F196 WeakPolarHBondContact O-CD1 3.21Å; E193-F196 PolarHBondContact O-N 2.89Å; E194-F196 VanDerWaalsContact C-N 3.27Å; E194-F196 PolarHBondContact O-N 2.56Å; F196-K199 PolarHBondContact O-N 3.02Å; F196-Y200 HydrophobicContact CD1-CD2 4.46Å; F196-Y200 AromaticContact CD2-CD2 3.82Å; F196-Y200 HydrophobicContact CD2-CD2 3.82Å; F196-Y200 AromaticContact CD2-CE2 3.82Å; F196-Y200 HydrophobicContact CD2-CE2 3.82Å; F196-Y200 HydrophobicContact CE1-CD2 4.34Å; F196-Y200 AromaticContact CE2-CD2 3.68Å; F196-Y200 HydrophobicContact CE2-CD2 3.68Å; F196-Y200 AromaticContact CE2-CE2 3.61Å; F196-Y200 HydrophobicContact CE2-CE2 3.61Å; F196-Y200 HydrophobicContact CG-CD2 4.22Å; F196-Y200 AromaticContact CZ-CD2 3.96Å; F196-Y200 HydrophobicContact CZ-CD2 3.96Å; F196-Y200 HydrophobicContact CZ-CE2 4.28Å; F196-Y200 PolarHBondContact O-N 2.89Å; F196-Y200 VanDerWaalsContact O-N 3.11Å; F196-F762 AromaticContact CD1-CE2 3.59Å; F196-F762 HydrophobicContact CD1-CE2 3.59Å; F196-F762 AromaticContact CD1-CZ 3.63Å; F196-F762 HydrophobicContact CD1-CZ 3.63Å; F196-F762 HydrophobicContact CE1-CD2 4.46Å; F196-F762 AromaticContact CE1-CE2 3.59Å; F196-F762 HydrophobicContact CE1-CE2 3.59Å; F196-F762 AromaticContact CE1-CZ 3.84Å; F196-F762 HydrophobicContact CE1-CZ 3.84Å; F196-F766 HydrophobicContact CE2-CB 4.42Å; F196-F766 AromaticContact CE2-CD2 3.5Å; F196-F766 HydrophobicContact CE2-CD2 3.5Å; F196-F766 VanDerWaalsContact CE2-CD2 3.5Å; F196-F766 AromaticContact CE2-CE2 3.87Å; F196-F766 HydrophobicContact CE2-CE2 3.87Å; F196-F766 AromaticContact CE2-CG 3.98Å; F196-F766 HydrophobicContact CE2-CG 3.98Å; F196-F766 HydrophobicContact CZ-CB 3.85Å; F196-F766 HydrophobicContact CZ-CD1 4.15Å; F196-F766 AromaticContact CZ-CD2 3.64Å; F196-F766 HydrophobicContact CZ-CD2 3.64Å; F196-F766 HydrophobicContact CZ-CE2 4.2Å; F196-F766 AromaticContact CZ-CG 3.6Å; F196-F766 HydrophobicContact CZ-CG 3.6Å
197	R	89.4	Confident	88.9	Confident	53 Å²	53	48.4 Å²	48.4	20%	0.2	25%	0.254	C	S	.	.	H	α-helix	trans	-57.9	-47.8	170.1	-64	-179.9	63.2	79.9	9.3	111.7	K191 E193 E194 K199 Y200 H201 E204 F762	K191-R197 WeakPolarHBondContact O-CD 3.3Å; K191-R197 WeakPolarHBondContact O-CG 3.38Å; E193-R197 WeakPolarHBondContact O-CG 3.39Å; E193-R197 PolarHBondContact O-N 3.21Å; E194-R197 PolarHBondContact O-N 3.33Å; R197-K199 PolarHBondContact O-N 2.87Å; R197-K199 VanDerWaalsContact O-N 3.13Å; R197-Y200 PolarHBondContact O-N 2.9Å; R197-H201 HydrophobicContact CB-CB 4.15Å; R197-H201 PolarHBondContact NH2-CD2 2.96Å; R197-H201 PolarHBondContact NH2-NE2 2.85Å; R197-H201 WeakPolarHBondContact O-CB 3.17Å; R197-H201 PolarHBondContact O-N 3.17Å; R197-E204 VanDerWaalsContact CB-OE2 3.27Å; R197-E204 WeakPolarHBondContact CB-OE2 3.48Å; R197-E204 IonicContact CZ-OE1 2.84Å; R197-E204 IonicContact NE-OE1 2.68Å; R197-E204 PolarHBondContact NE-OE1 2.73Å; R197-E204 IonicContact NE-OE2 3.5Å; R197-E204 IonicContact NH2-OE1 3.56Å; R197-E204 PolarHBondContact NH2-OE1 3Å; R197-F762 HydrophobicContact CB-CZ 4.37Å; R197-F762 HydrophobicContact CG-CE1 4.29Å; R197-F762 HydrophobicContact CG-CZ 3.78Å
198	S	87	Confident	88.7	Confident	37 Å²	37	50.3 Å²	50.3	26%	0.259	26%	0.264	S	S	.	.	H	α-helix	trans	-55.3	-30.6	176.3	-65.6	0	0	0	0	113.7	E194 L208	E194-S198 WeakPolarHBondContact O-CB 3.27Å; E194-S198 PolarHBondContact O-N 3.17Å; E194-S198 PolarHBondContact O-OG 2.87Å; S198-L208 VanDerWaalsContact CB-CD1 3.46Å; S198-L208 WeakPolarHBondContact O-CD1 3.37Å
199	K	87.2	Confident	88.6	Confident	85 Å²	85	53 Å²	53	37%	0.37	27%	0.272	S	S	.	.	H	α-helix	trans	-88.4	-32.7	-178.7	-169	176.2	172.7	-163.2	0	113.5	F196 R197 D769	F196-K199 PolarHBondContact O-N 3.02Å; R197-K199 PolarHBondContact O-N 2.87Å; R197-K199 VanDerWaalsContact O-N 3.13Å; K199-D769 VanDerWaalsContact CE-OD2 3.28Å; K199-D769 WeakPolarHBondContact CE-OD2 3.29Å; K199-D769 IonicContact NZ-OD2 3.52Å; K199-D769 PolarHBondContact NZ-OD2 3.39Å
200	Y	91.1	Very high	88.7	Confident	8 Å²	8	52.2 Å²	52.2	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-131.2	-21.4	-167.4	-55.3	-66	0	0	0	116.3	F196 R197 F762 N765 F766 D769 P773	F196-Y200 HydrophobicContact CD1-CD2 4.46Å; F196-Y200 AromaticContact CD2-CD2 3.82Å; F196-Y200 HydrophobicContact CD2-CD2 3.82Å; F196-Y200 AromaticContact CD2-CE2 3.82Å; F196-Y200 HydrophobicContact CD2-CE2 3.82Å; F196-Y200 HydrophobicContact CE1-CD2 4.34Å; F196-Y200 AromaticContact CE2-CD2 3.68Å; F196-Y200 HydrophobicContact CE2-CD2 3.68Å; F196-Y200 AromaticContact CE2-CE2 3.61Å; F196-Y200 HydrophobicContact CE2-CE2 3.61Å; F196-Y200 HydrophobicContact CG-CD2 4.22Å; F196-Y200 AromaticContact CZ-CD2 3.96Å; F196-Y200 HydrophobicContact CZ-CD2 3.96Å; F196-Y200 HydrophobicContact CZ-CE2 4.28Å; F196-Y200 PolarHBondContact O-N 2.89Å; F196-Y200 VanDerWaalsContact O-N 3.11Å; R197-Y200 PolarHBondContact O-N 2.9Å; Y200-F762 VanDerWaalsContact C-CD2 3.49Å; Y200-N765 HydrophobicContact CD1-CB 4.22Å; Y200-N765 VanDerWaalsContact CD1-O 3.31Å; Y200-N765 WeakPolarHBondContact CD1-O 3.29Å; Y200-N765 WeakPolarHBondContact CE1-O 3.27Å; Y200-N765 WeakPolarHBondContact O-CB 3.44Å; Y200-N765 PolarHBondContact O-ND2 3.2Å; Y200-F766 HydrophobicContact CD1-CB 4.25Å; Y200-F766 HydrophobicContact CD2-CB 4Å; Y200-F766 HydrophobicContact CD2-CD2 4.36Å; Y200-F766 HydrophobicContact CE1-CB 4.46Å; Y200-F766 HydrophobicContact CE2-CB 4.23Å; Y200-F766 AromaticContact CE2-CD2 3.82Å; Y200-F766 HydrophobicContact CE2-CD2 3.82Å; Y200-F766 HydrophobicContact CG-CB 4Å; Y200-D769 HydrophobicContact CE1-CB 3.87Å; Y200-D769 WeakPolarHBondContact CE1-OD2 3.42Å; Y200-D769 PolarHBondContact OH-OD2 3.35Å; Y200-P773 WeakPolarHBondContact OH-CD 3.33Å
201	H	92.3	Very high	88.8	Confident	19 Å²	19	55.2 Å²	55.2	9%	0.088	28%	0.28	C	S	.	.			trans	-70.2	128.2	-179.6	-175.4	-77.3	0	0	0	109.6	R197 D203 E204 A205 F762	R197-H201 HydrophobicContact CB-CB 4.15Å; R197-H201 PolarHBondContact NH2-CD2 2.96Å; R197-H201 PolarHBondContact NH2-NE2 2.85Å; R197-H201 WeakPolarHBondContact O-CB 3.17Å; R197-H201 PolarHBondContact O-N 3.17Å; H201-D203 IonicContact CE1-OD2 3.7Å; H201-D203 PolarHBondContact ND1-N 3.33Å; H201-D203 PolarHBondContact O-N 2.89Å; H201-E204 HydrophobicContact CB-CB 4.43Å; H201-E204 PolarHBondContact O-N 3.22Å; H201-A205 VanDerWaalsContact O-CB 3.25Å; H201-A205 WeakPolarHBondContact O-CB 3.45Å; H201-A205 PolarHBondContact O-N 2.63Å; H201-F762 HydrophobicContact CB-CD1 4.37Å; H201-F762 HydrophobicContact CB-CD2 3.98Å; H201-F762 HydrophobicContact CB-CE1 4.41Å; H201-F762 HydrophobicContact CB-CE2 4.03Å; H201-F762 HydrophobicContact CB-CG 4.15Å; H201-F762 HydrophobicContact CB-CZ 4.24Å; H201-F762 AromaticContact CD2-CD1 3.74Å; H201-F762 AromaticContact CD2-CE1 3.96Å
202	P	90.8	Very high	88.8	Confident	23 Å²	23	56.4 Å²	56.4	15%	0.149	30%	0.296	C	S	.	.	H	α-helix	trans	-53.9	-50	-168.4	17.3	-30.7	0	0	0	113.2	S206 K758 V761	P202-S206 WeakPolarHBondContact O-CB 3.32Å; P202-S206 PolarHBondContact O-N 3.41Å; P202-S206 PolarHBondContact O-OG 2.59Å; P202-K758 HydrophobicContact CG-CB 4.03Å; P202-K758 HydrophobicContact CG-CG 3.95Å; P202-V761 HydrophobicContact CB-CG1 3.95Å; P202-V761 HydrophobicContact CG-CB 4.38Å; P202-V761 HydrophobicContact CG-CG1 4.09Å
203	D	90	Very high	88.9	Confident	76 Å²	76	54.9 Å²	54.9	41%	0.406	29%	0.285	S	S	.	.	H	α-helix	trans	-65.4	-47.6	-177.7	-54.2	-19.6	0	0	0	112.9	H201 S206 R207 K758	H201-D203 IonicContact CE1-OD2 3.7Å; H201-D203 PolarHBondContact ND1-N 3.33Å; H201-D203 PolarHBondContact O-N 2.89Å; D203-S206 PolarHBondContact O-N 3.3Å; D203-R207 WeakPolarHBondContact O-CB 3.43Å; D203-R207 PolarHBondContact O-N 2.99Å; D203-K758 VanDerWaalsContact OD1-CE 3.27Å; D203-K758 WeakPolarHBondContact OD1-CE 3.37Å; D203-K758 IonicContact OD1-NZ 2.79Å; D203-K758 PolarHBondContact OD1-NZ 3.14Å; D203-K758 IonicContact OD2-NZ 2.72Å; D203-K758 PolarHBondContact OD2-NZ 3.17Å
204	E	87.4	Confident	89.1	Confident	40 Å²	40	57.4 Å²	57.4	19%	0.187	31%	0.306	C	S	.	.	H	α-helix	trans	-73.5	-43.7	-174.4	-69.6	176.4	-138.2	0	0	111.7	R197 H201 S206 R207 L208	R197-E204 VanDerWaalsContact CB-OE2 3.27Å; R197-E204 WeakPolarHBondContact CB-OE2 3.48Å; R197-E204 IonicContact CZ-OE1 2.84Å; R197-E204 IonicContact NE-OE1 2.68Å; R197-E204 PolarHBondContact NE-OE1 2.73Å; R197-E204 IonicContact NE-OE2 3.5Å; R197-E204 IonicContact NH2-OE1 3.56Å; R197-E204 PolarHBondContact NH2-OE1 3Å; H201-E204 HydrophobicContact CB-CB 4.43Å; H201-E204 PolarHBondContact O-N 3.22Å; E204-S206 VanDerWaalsContact C-N 3.3Å; E204-S206 PolarHBondContact O-N 3.32Å; E204-R207 PolarHBondContact O-N 2.82Å; E204-L208 WeakPolarHBondContact O-CB 3.4Å; E204-L208 WeakPolarHBondContact O-CG 3.37Å; E204-L208 PolarHBondContact O-N 2.66Å
205	A	87.1	Confident	89.4	Confident	25 Å²	25	56.2 Å²	56.2	21%	0.207	31%	0.305	C	S	.	.	H	α-helix	trans	-65.3	-34.4	175.4	0	0	0	0	0	111.7	H201 K209	H201-A205 VanDerWaalsContact O-CB 3.25Å; H201-A205 WeakPolarHBondContact O-CB 3.45Å; H201-A205 PolarHBondContact O-N 2.63Å; A205-K209 VanDerWaalsContact O-CB 3.29Å; A205-K209 WeakPolarHBondContact O-CB 3.23Å; A205-K209 PolarHBondContact O-N 3.08Å
206	S	88.9	Confident	89.7	Confident	76 Å²	76	56.7 Å²	56.7	53%	0.531	31%	0.308	S	S	.	.	H	α-helix	trans	-69.4	-42	173.5	-60.3	0	0	0	0	112	P202 D203 E204 K209 A210	P202-S206 WeakPolarHBondContact O-CB 3.32Å; P202-S206 PolarHBondContact O-N 3.41Å; P202-S206 PolarHBondContact O-OG 2.59Å; D203-S206 PolarHBondContact O-N 3.3Å; E204-S206 VanDerWaalsContact C-N 3.3Å; E204-S206 PolarHBondContact O-N 3.32Å; S206-K209 PolarHBondContact O-N 2.05Å; S206-A210 PolarHBondContact O-N 3.34Å
207	R	90.6	Very high	89.9	Confident	139 Å²	139	58.7 Å²	58.7	53%	0.525	32%	0.322	S	S	.	.	H	α-helix	trans	-61.9	-47.6	175.5	-160.6	-168.1	74	-133.5	-9.4	111.3	D203 E204 K209 A210 E211	D203-R207 WeakPolarHBondContact O-CB 3.43Å; D203-R207 PolarHBondContact O-N 2.99Å; E204-R207 PolarHBondContact O-N 2.82Å; R207-K209 VanDerWaalsContact C-N 3.32Å; R207-K209 PolarHBondContact O-N 2.86Å; R207-A210 WeakPolarHBondContact O-CB 3.38Å; R207-A210 PolarHBondContact O-N 3.02Å; R207-A210 VanDerWaalsContact O-N 3.12Å; R207-E211 WeakPolarHBondContact CD-OE1 3.37Å; R207-E211 WeakPolarHBondContact CG-OE1 3.35Å; R207-E211 IonicContact CZ-OE1 3.4Å; R207-E211 IonicContact NE-OE1 2.73Å; R207-E211 PolarHBondContact NE-OE1 2.92Å; R207-E211 IonicContact NH2-OE1 2.72Å; R207-E211 WeakPolarHBondContact O-CG 3.37Å; R207-E211 PolarHBondContact O-N 3.31Å
208	L	87.1	Confident	90.1	Very high	48 Å²	48	59 Å²	59	25%	0.251	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-34	176.6	-70.8	168.1	0	0	0	112.6	S198 E204 A212	S198-L208 VanDerWaalsContact CB-CD1 3.46Å; S198-L208 WeakPolarHBondContact O-CD1 3.37Å; E204-L208 WeakPolarHBondContact O-CB 3.4Å; E204-L208 WeakPolarHBondContact O-CG 3.37Å; E204-L208 PolarHBondContact O-N 2.66Å; L208-A212 VanDerWaalsContact O-CB 3.29Å; L208-A212 WeakPolarHBondContact O-CB 3.22Å; L208-A212 PolarHBondContact O-N 2.91Å
209	K	87.5	Confident	90.5	Very high	150 Å²	150	57.5 Å²	57.5	65%	0.652	32%	0.316	S	S	*	.	H	α-helix	trans	-64.4	-41.1	171.2	-172.1	-173.9	176.4	-168.2	0	111.6	A205 S206 R207 A212 Q213	A205-K209 VanDerWaalsContact O-CB 3.29Å; A205-K209 WeakPolarHBondContact O-CB 3.23Å; A205-K209 PolarHBondContact O-N 3.08Å; S206-K209 PolarHBondContact O-N 2.05Å; R207-K209 VanDerWaalsContact C-N 3.32Å; R207-K209 PolarHBondContact O-N 2.86Å; K209-A212 PolarHBondContact O-N 3.25Å; K209-Q213 WeakPolarHBondContact O-CB 3.4Å; K209-Q213 PolarHBondContact O-N 3.42Å
210	A	90.5	Very high	90.9	Very high	54 Å²	54	54 Å²	54	45%	0.446	30%	0.301	S	S	.	.	H	α-helix	trans	-69.2	-40	176.6	0	0	0	0	0	112.5	S206 R207 Q213 S214	S206-A210 PolarHBondContact O-N 3.34Å; R207-A210 WeakPolarHBondContact O-CB 3.38Å; R207-A210 PolarHBondContact O-N 3.02Å; R207-A210 VanDerWaalsContact O-N 3.12Å; A210-Q213 PolarHBondContact O-N 2.95Å; A210-S214 WeakPolarHBondContact O-CB 3.27Å; A210-S214 PolarHBondContact O-N 3.42Å
211	E	90.5	Very high	91	Very high	87 Å²	87	58.6 Å²	58.6	41%	0.407	33%	0.326	S	S	.	.	H	α-helix	trans	-58.7	-47.8	171.4	-71.3	169.2	-140.2	0	0	110.6	R207 S214 A215	R207-E211 WeakPolarHBondContact CD-OE1 3.37Å; R207-E211 WeakPolarHBondContact CG-OE1 3.35Å; R207-E211 IonicContact CZ-OE1 3.4Å; R207-E211 IonicContact NE-OE1 2.73Å; R207-E211 PolarHBondContact NE-OE1 2.92Å; R207-E211 IonicContact NH2-OE1 2.72Å; R207-E211 WeakPolarHBondContact O-CG 3.37Å; R207-E211 PolarHBondContact O-N 3.31Å; E211-S214 PolarHBondContact O-N 2.78Å; E211-A215 PolarHBondContact O-N 3.01Å
212	A	89.1	Confident	91.2	Very high	61 Å²	61	58 Å²	58	50%	0.504	32%	0.324	S	S	.	.	H	α-helix	trans	-65.5	-38.1	176.9	0	0	0	0	0	113.2	L208 K209 A215 L216	L208-A212 VanDerWaalsContact O-CB 3.29Å; L208-A212 WeakPolarHBondContact O-CB 3.22Å; L208-A212 PolarHBondContact O-N 2.91Å; K209-A212 PolarHBondContact O-N 3.25Å; A212-A215 PolarHBondContact O-N 3.13Å; A212-L216 WeakPolarHBondContact O-CB 3.41Å; A212-L216 PolarHBondContact O-N 3.07Å
213	Q	90.5	Very high	91.4	Very high	77 Å²	77	57 Å²	57	36%	0.36	32%	0.317	S	S	.	.	H	α-helix	trans	-66.4	-41.5	174.6	-172.5	176.9	9	0	0	111.2	K209 A210 L216 C217	K209-Q213 WeakPolarHBondContact O-CB 3.4Å; K209-Q213 PolarHBondContact O-N 3.42Å; A210-Q213 PolarHBondContact O-N 2.95Å; Q213-L216 PolarHBondContact O-N 2.77Å; Q213-C217 PolarHBondContact O-N 3.2Å; Q213-C217 PolarHBondContact O-SG 3.3Å
214	S	91.9	Very high	91.7	Very high	83 Å²	83	54.6 Å²	54.6	58%	0.58	30%	0.304	S	S	*	.	H	α-helix	trans	-61.8	-43.1	175	-174.9	0	0	0	0	111.8	A210 E211 C217 N218	A210-S214 WeakPolarHBondContact O-CB 3.27Å; A210-S214 PolarHBondContact O-N 3.42Å; E211-S214 PolarHBondContact O-N 2.78Å; S214-C217 PolarHBondContact O-N 2.76Å; S214-N218 WeakPolarHBondContact O-CB 3.4Å; S214-N218 PolarHBondContact O-N 3.06Å
215	A	92.1	Very high	92	Very high	20 Å²	20	54.9 Å²	54.9	17%	0.165	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-44.7	172.3	0	0	0	0	0	112	E211 A212 C217 N218 R219	E211-A215 PolarHBondContact O-N 3.01Å; A212-A215 PolarHBondContact O-N 3.13Å; A215-C217 PolarHBondContact O-N 2.98Å; A215-N218 WeakPolarHBondContact O-CB 3.34Å; A215-N218 PolarHBondContact O-N 2.7Å; A215-R219 VanDerWaalsContact O-CG 3.28Å; A215-R219 WeakPolarHBondContact O-CG 3.32Å; A215-R219 PolarHBondContact O-N 3Å
216	L	93.1	Very high	92.4	Very high	30 Å²	30	53.7 Å²	53.7	16%	0.157	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-43.1	178.5	-165	72	0	0	0	112.2	A212 Q213 N218 R219 L220 L551 V632	A212-L216 WeakPolarHBondContact O-CB 3.41Å; A212-L216 PolarHBondContact O-N 3.07Å; Q213-L216 PolarHBondContact O-N 2.77Å; L216-N218 VanDerWaalsContact C-N 3.35Å; L216-N218 PolarHBondContact O-N 3.14Å; L216-R219 PolarHBondContact O-N 3.28Å; L216-L220 PolarHBondContact O-N 2.94Å; L216-L551 HydrophobicContact CB-CD2 4.4Å; L216-L551 HydrophobicContact CD2-CD1 3.92Å; L216-L551 HydrophobicContact CD2-CD2 3.81Å; L216-L551 HydrophobicContact CD2-CG 3.86Å; L216-L551 HydrophobicContact CG-CD1 4.1Å; L216-L551 HydrophobicContact CG-CD2 3.91Å; L216-L551 HydrophobicContact CG-CG 4.32Å; L216-V632 HydrophobicContact CD1-CG1 4.17Å; L216-V632 WeakPolarHBondContact CD1-O 3.47Å; L216-V632 HydrophobicContact CG-CG1 4.45Å
217	C	93.1	Very high	92.6	Very high	42 Å²	42	52.8 Å²	52.8	28%	0.284	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-37	173.9	-66.9	0	0	0	0	112.2	Q213 S214 A215 L220 N221	Q213-C217 PolarHBondContact O-N 3.2Å; Q213-C217 PolarHBondContact O-SG 3.3Å; S214-C217 PolarHBondContact O-N 2.76Å; A215-C217 PolarHBondContact O-N 2.98Å; C217-L220 WeakPolarHBondContact O-CB 3.39Å; C217-L220 PolarHBondContact O-N 2.85Å; C217-N221 PolarHBondContact O-N 3.07Å; C217-N221 PolarHBondContact O-ND2 2.98Å; C217-N221 PolarHBondContact O-OD1 3.27Å
218	N	94.2	Very high	92.7	Very high	59 Å²	59	53.5 Å²	53.5	32%	0.316	29%	0.293	S	S	.	.	H	α-helix	trans	-63	-45.8	172.4	-175	33.1	0	0	0	111.2	S214 A215 L216 L220 N221 V222	S214-N218 WeakPolarHBondContact O-CB 3.4Å; S214-N218 PolarHBondContact O-N 3.06Å; A215-N218 WeakPolarHBondContact O-CB 3.34Å; A215-N218 PolarHBondContact O-N 2.7Å; L216-N218 VanDerWaalsContact C-N 3.35Å; L216-N218 PolarHBondContact O-N 3.14Å; N218-L220 VanDerWaalsContact C-N 3.29Å; N218-L220 PolarHBondContact O-N 2.97Å; N218-N221 PolarHBondContact O-N 3.22Å; N218-V222 WeakPolarHBondContact O-CG2 3.47Å; N218-V222 PolarHBondContact O-N 3.09Å
219	R	95.1	Very high	93	Very high	5 Å²	5	55.7 Å²	55.7	2%	0.019	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-36	176.5	-64.8	175.8	75.5	110.1	-2.1	112.1	A215 L216 F223 M256 I631 V632 S634 E646 D647 R652	A215-R219 VanDerWaalsContact O-CG 3.28Å; A215-R219 WeakPolarHBondContact O-CG 3.32Å; A215-R219 PolarHBondContact O-N 3Å; L216-R219 PolarHBondContact O-N 3.28Å; R219-F223 PolarHBondContact O-N 2.97Å; R219-M256 HydrophobicContact CG-CG 4.44Å; R219-M256 HydrophobicContact CG-SD 3.7Å; R219-I631 VanDerWaalsContact CZ-O 3.31Å; R219-I631 PolarHBondContact NE-O 3.18Å; R219-I631 PolarHBondContact NH2-O 3.42Å; R219-V632 PolarHBondContact NE-O 3.12Å; R219-S634 PolarHBondContact NE-OG 3.31Å; R219-S634 PolarHBondContact NH2-OG 2.89Å; R219-S634 VanDerWaalsContact NH2-OG 3.07Å; R219-E646 IonicContact NH2-OE2 2.73Å; R219-E646 PolarHBondContact NH2-OE2 3.25Å; R219-E646 VanDerWaalsContact NH2-OE2 3.17Å; R219-D647 IonicContact NH1-OD1 3.67Å; R219-D647 PolarHBondContact NH1-OD1 3.49Å; R219-D647 VanDerWaalsContact NH1-OD1 3.15Å; R219-R652 PolarHBondContact NH1-O 3.03Å; R219-R652 PolarHBondContact NH2-O 2.97Å
220	L	95.3	Very high	93.2	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.063	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-50.4	171.2	-175.5	65	0	0	0	111.9	L216 C217 N218 V222 F223 M224 L551 W552 Y628 V632	L216-L220 PolarHBondContact O-N 2.94Å; C217-L220 WeakPolarHBondContact O-CB 3.39Å; C217-L220 PolarHBondContact O-N 2.85Å; N218-L220 VanDerWaalsContact C-N 3.29Å; N218-L220 PolarHBondContact O-N 2.97Å; L220-V222 VanDerWaalsContact C-N 3.29Å; L220-V222 PolarHBondContact O-N 2.99Å; L220-F223 WeakPolarHBondContact O-CB 3.19Å; L220-F223 PolarHBondContact O-N 3.38Å; L220-F223 VanDerWaalsContact O-N 3.1Å; L220-M224 HydrophobicContact CD1-CE 3.53Å; L220-M224 HydrophobicContact CG-CE 4.32Å; L220-M224 WeakPolarHBondContact O-CG 3.42Å; L220-M224 PolarHBondContact O-N 2.96Å; L220-L551 HydrophobicContact CD2-CB 4.23Å; L220-L551 HydrophobicContact CD2-CD1 4.35Å; L220-L551 HydrophobicContact CD2-CD2 4.12Å; L220-L551 HydrophobicContact CD2-CG 4.48Å; L220-W552 HydrophobicContact CD1-CZ2 3.9Å; L220-W552 HydrophobicContact CD2-CZ2 4.22Å; L220-Y628 HydrophobicContact CD1-CE2 3.52Å; L220-V632 HydrophobicContact CB-CG1 4.14Å; L220-V632 HydrophobicContact CD1-CG1 4.24Å; L220-V632 HydrophobicContact CD1-CG2 4.1Å
221	N	94.9	Very high	93.3	Very high	104 Å²	104	49.8 Å²	49.8	56%	0.556	27%	0.273	S	S	*	.	H	α-helix	trans	-59.2	-40.3	178.7	-67.9	-17	0	0	0	111.9	C217 N218 M224 F225	C217-N221 PolarHBondContact O-N 3.07Å; C217-N221 PolarHBondContact O-ND2 2.98Å; C217-N221 PolarHBondContact O-OD1 3.27Å; N218-N221 PolarHBondContact O-N 3.22Å; N221-M224 PolarHBondContact O-N 2.99Å; N221-F225 WeakPolarHBondContact O-CB 3.4Å; N221-F225 PolarHBondContact O-N 2.78Å
222	V	95.4	Very high	93.3	Very high	8 Å²	8	46.4 Å²	46.4	5%	0.048	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-41.2	174.5	172.2	0	0	0	0	111.8	N218 L220 L226 A252 K255 M256	N218-V222 WeakPolarHBondContact O-CG2 3.47Å; N218-V222 PolarHBondContact O-N 3.09Å; L220-V222 VanDerWaalsContact C-N 3.29Å; L220-V222 PolarHBondContact O-N 2.99Å; V222-L226 HydrophobicContact CG1-CD1 4.13Å; V222-L226 WeakPolarHBondContact O-CG 3.39Å; V222-L226 PolarHBondContact O-N 3.3Å; V222-A252 HydrophobicContact CG1-CB 4.15Å; V222-K255 HydrophobicContact CB-CB 4.32Å; V222-K255 HydrophobicContact CG1-CB 3.62Å; V222-K255 HydrophobicContact CG2-CB 3.77Å; V222-M256 HydrophobicContact CB-CG 4.42Å; V222-M256 HydrophobicContact CG1-CG 4.33Å; V222-M256 HydrophobicContact CG2-CG 4.08Å
223	F	95.9	Very high	93.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-44.3	174.6	179.5	-85	0	0	0	112	R219 L220 L226 M227 F232 I570 L627 Y628 I631 V632	R219-F223 PolarHBondContact O-N 2.97Å; L220-F223 WeakPolarHBondContact O-CB 3.19Å; L220-F223 PolarHBondContact O-N 3.38Å; L220-F223 VanDerWaalsContact O-N 3.1Å; F223-L226 PolarHBondContact O-N 2.87Å; F223-M227 HydrophobicContact CD1-CE 4.3Å; F223-M227 HydrophobicContact CE1-CB 4.4Å; F223-M227 HydrophobicContact CE1-CE 3.82Å; F223-M227 HydrophobicContact CE1-SD 3.87Å; F223-M227 HydrophobicContact CZ-SD 4.43Å; F223-M227 WeakPolarHBondContact O-CB 3.35Å; F223-M227 PolarHBondContact O-N 3.46Å; F223-F232 AromaticContact CD2-CE2 3.86Å; F223-F232 HydrophobicContact CD2-CE2 3.86Å; F223-F232 AromaticContact CD2-CZ 3.71Å; F223-F232 HydrophobicContact CD2-CZ 3.71Å; F223-F232 HydrophobicContact CE1-CE2 4.19Å; F223-F232 HydrophobicContact CE2-CD2 4.36Å; F223-F232 AromaticContact CE2-CE2 3.43Å; F223-F232 HydrophobicContact CE2-CE2 3.43Å; F223-F232 VanDerWaalsContact CE2-CE2 3.43Å; F223-F232 AromaticContact CE2-CZ 3.58Å; F223-F232 HydrophobicContact CE2-CZ 3.58Å; F223-F232 HydrophobicContact CG-CE2 4.4Å; F223-F232 HydrophobicContact CG-CZ 4.48Å; F223-F232 HydrophobicContact CZ-CD2 4.31Å; F223-F232 AromaticContact CZ-CE2 3.62Å; F223-F232 HydrophobicContact CZ-CE2 3.62Å; F223-F232 HydrophobicContact CZ-CZ 4.25Å; F223-I570 HydrophobicContact CE1-CG2 4.17Å; F223-I570 HydrophobicContact CZ-CG2 4.34Å; F223-L627 HydrophobicContact CE2-CB 4.23Å; F223-Y628 AromaticContact CD1-CD2 3.76Å; F223-Y628 HydrophobicContact CD1-CD2 3.76Å; F223-Y628 HydrophobicContact CD1-CE2 4.41Å; F223-Y628 HydrophobicContact CD2-CD2 4.41Å; F223-Y628 AromaticContact CE1-CD2 3.71Å; F223-Y628 HydrophobicContact CE1-CD2 3.71Å; F223-Y628 VanDerWaalsContact CE2-CA 3.49Å; F223-Y628 HydrophobicContact CE2-CD2 4.37Å; F223-Y628 HydrophobicContact CG-CD2 4.12Å; F223-Y628 HydrophobicContact CZ-CD2 4.03Å; F223-Y628 HydrophobicContact CZ-CG 4.44Å; F223-I631 HydrophobicContact CB-CG2 4.18Å; F223-I631 HydrophobicContact CD2-CB 4.21Å; F223-I631 HydrophobicContact CD2-CD1 4.19Å; F223-I631 HydrophobicContact CD2-CG2 4.44Å; F223-V632 HydrophobicContact CB-CG2 3.72Å; F223-V632 HydrophobicContact CD2-CG2 4.46Å; F223-V632 HydrophobicContact CG-CG2 4.06Å
224	M	95.1	Very high	93	Very high	27 Å²	27	52.6 Å²	52.6	13%	0.133	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-46.6	178.4	-63.8	-61.8	151.4	0	0	111.2	L220 N221 L226 M227 E228 W552 P569 Y628	L220-M224 HydrophobicContact CD1-CE 3.53Å; L220-M224 HydrophobicContact CG-CE 4.32Å; L220-M224 WeakPolarHBondContact O-CG 3.42Å; L220-M224 PolarHBondContact O-N 2.96Å; N221-M224 PolarHBondContact O-N 2.99Å; M224-L226 VanDerWaalsContact C-N 3.33Å; M224-L226 PolarHBondContact O-N 3.25Å; M224-M227 HydrophobicContact CE-CE 4.22Å; M224-M227 WeakPolarHBondContact O-CB 3.42Å; M224-M227 PolarHBondContact O-N 3.42Å; M224-M227 VanDerWaalsContact O-N 3.14Å; M224-M227 HydrophobicContact SD-CE 3.37Å; M224-M227 WeakPolarHBondContact SD-CE 3.47Å; M224-E228 WeakPolarHBondContact O-CB 3.45Å; M224-E228 WeakPolarHBondContact O-CG 3.24Å; M224-E228 PolarHBondContact O-N 2.8Å; M224-W552 HydrophobicContact CE-CH2 3.48Å; M224-W552 VanDerWaalsContact CE-CH2 3.48Å; M224-W552 HydrophobicContact CE-CZ2 3.56Å; M224-W552 HydrophobicContact SD-CH2 4.35Å; M224-P569 HydrophobicContact CE-CG 4.15Å; M224-P569 HydrophobicContact SD-CG 4.05Å; M224-Y628 HydrophobicContact CE-CE2 4.14Å
225	F	94.9	Very high	92.9	Very high	46 Å²	46	49.5 Å²	49.5	20%	0.202	26%	0.258	C	S	.	.	H	α-helix	trans	-55.1	-44.7	173.8	171.6	-85.9	0	0	0	112.7	N221 N229 K255 D261 L264	N221-F225 WeakPolarHBondContact O-CB 3.4Å; N221-F225 PolarHBondContact O-N 2.78Å; F225-N229 WeakPolarHBondContact CE2-ND2 3.46Å; F225-N229 WeakPolarHBondContact O-CB 3.11Å; F225-N229 PolarHBondContact O-N 3.1Å; F225-N229 VanDerWaalsContact O-N 3.1Å; F225-N229 PolarHBondContact O-ND2 3.17Å; F225-K255 HydrophobicContact CD1-CD 4.23Å; F225-K255 HydrophobicContact CD1-CG 4.34Å; F225-K255 HydrophobicContact CE1-CD 4.13Å; F225-K255 VanDerWaalsContact CE1-CE 3.49Å; F225-K255 HydrophobicContact CE1-CG 4.34Å; F225-D261 WeakPolarHBondContact CZ-OD1 3.12Å; F225-L264 HydrophobicContact CE1-CD1 4.02Å; F225-L264 HydrophobicContact CZ-CD1 4.29Å
226	L	94.2	Very high	92.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-35.4	179.3	-70.5	171.9	0	0	0	112.3	V222 F223 M224 G230 W231 F232 A251 A252 I631	V222-L226 HydrophobicContact CG1-CD1 4.13Å; V222-L226 WeakPolarHBondContact O-CG 3.39Å; V222-L226 PolarHBondContact O-N 3.3Å; F223-L226 PolarHBondContact O-N 2.87Å; M224-L226 VanDerWaalsContact C-N 3.33Å; M224-L226 PolarHBondContact O-N 3.25Å; L226-G230 PolarHBondContact O-N 2.84Å; L226-W231 HydrophobicContact CB-CB 4.26Å; L226-W231 HydrophobicContact CD2-CB 4.18Å; L226-W231 HydrophobicContact CD2-CD2 3.97Å; L226-W231 HydrophobicContact CD2-CG 3.7Å; L226-W231 WeakPolarHBondContact O-CB 3.26Å; L226-W231 PolarHBondContact O-N 2.82Å; L226-F232 HydrophobicContact CB-CE1 4.17Å; L226-F232 HydrophobicContact CB-CE2 4.13Å; L226-F232 HydrophobicContact CB-CZ 3.65Å; L226-F232 HydrophobicContact CD1-CZ 4.37Å; L226-A251 HydrophobicContact CD2-CB 3.93Å; L226-A252 HydrophobicContact CD1-CB 3.74Å; L226-I631 HydrophobicContact CD1-CD1 4.49Å
227	M	93.5	Very high	93	Very high	56 Å²	56	48.2 Å²	48.2	28%	0.276	25%	0.25	S	S	.	.	H	α-helix	trans	-68	-47.2	176	-174.5	163.5	53.3	0	0	112.1	F223 M224 N229 G230 F232 P569 I570	F223-M227 HydrophobicContact CD1-CE 4.3Å; F223-M227 HydrophobicContact CE1-CB 4.4Å; F223-M227 HydrophobicContact CE1-CE 3.82Å; F223-M227 HydrophobicContact CE1-SD 3.87Å; F223-M227 HydrophobicContact CZ-SD 4.43Å; F223-M227 WeakPolarHBondContact O-CB 3.35Å; F223-M227 PolarHBondContact O-N 3.46Å; M224-M227 HydrophobicContact CE-CE 4.22Å; M224-M227 WeakPolarHBondContact O-CB 3.42Å; M224-M227 PolarHBondContact O-N 3.42Å; M224-M227 VanDerWaalsContact O-N 3.14Å; M224-M227 HydrophobicContact SD-CE 3.37Å; M224-M227 WeakPolarHBondContact SD-CE 3.47Å; M227-N229 VanDerWaalsContact C-N 3.29Å; M227-N229 PolarHBondContact O-N 3.41Å; M227-G230 PolarHBondContact O-N 3.03Å; M227-G230 VanDerWaalsContact O-N 3.12Å; M227-F232 HydrophobicContact CB-CD2 3.99Å; M227-F232 HydrophobicContact CB-CE2 3.83Å; M227-F232 HydrophobicContact CG-CD2 4.36Å; M227-P569 HydrophobicContact CE-CG 4.04Å; M227-I570 HydrophobicContact CE-CG2 4.34Å; M227-I570 HydrophobicContact SD-CG2 3.71Å
228	E	93.5	Very high	93	Very high	155 Å²	155	47 Å²	47	72%	0.724	24%	0.241	S	C	*	.	H	α-helix	trans	-64.3	-33.3	178.9	-71.5	170.3	-178.5	0	0	112.3	M224 G230	M224-E228 WeakPolarHBondContact O-CB 3.45Å; M224-E228 WeakPolarHBondContact O-CG 3.24Å; M224-E228 PolarHBondContact O-N 2.8Å; E228-G230 VanDerWaalsContact C-N 3.31Å; E228-G230 PolarHBondContact O-N 3.4Å
229	N	92.7	Very high	93	Very high	93 Å²	93	46.3 Å²	46.3	50%	0.497	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	15.2	175.2	-70.1	-85.3	0	0	0	113.7	F225 M227 W231	F225-N229 WeakPolarHBondContact CE2-ND2 3.46Å; F225-N229 WeakPolarHBondContact O-CB 3.11Å; F225-N229 PolarHBondContact O-N 3.1Å; F225-N229 VanDerWaalsContact O-N 3.1Å; F225-N229 PolarHBondContact O-ND2 3.17Å; M227-N229 VanDerWaalsContact C-N 3.29Å; M227-N229 PolarHBondContact O-N 3.41Å; N229-W231 VanDerWaalsContact C-N 3.3Å; N229-W231 PolarHBondContact O-N 3.13Å
230	G	92.2	Very high	92.8	Very high	22 Å²	22	53.7 Å²	53.7	23%	0.227	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	11.6	169.4	0	0	0	0	0	116.7	L226 M227 E228 F232 E233	L226-G230 PolarHBondContact O-N 2.84Å; M227-G230 PolarHBondContact O-N 3.03Å; M227-G230 VanDerWaalsContact O-N 3.12Å; E228-G230 VanDerWaalsContact C-N 3.31Å; E228-G230 PolarHBondContact O-N 3.4Å; G230-F232 PolarHBondContact O-N 2.88Å; G230-E233 PolarHBondContact O-N 2.85Å; G230-E233 VanDerWaalsContact O-N 3.1Å
231	W	92	Very high	92.7	Very high	58 Å²	58	57.2 Å²	57.2	22%	0.22	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.5	-175	-75.3	77.8	0	0	0	114.1	L226 N229 K247 V248 A251 L264 L267	L226-W231 HydrophobicContact CB-CB 4.26Å; L226-W231 HydrophobicContact CD2-CB 4.18Å; L226-W231 HydrophobicContact CD2-CD2 3.97Å; L226-W231 HydrophobicContact CD2-CG 3.7Å; L226-W231 WeakPolarHBondContact O-CB 3.26Å; L226-W231 PolarHBondContact O-N 2.82Å; N229-W231 VanDerWaalsContact C-N 3.3Å; N229-W231 PolarHBondContact O-N 3.13Å; W231-K247 HydrophobicContact CZ3-CD 4.29Å; W231-K247 HydrophobicContact CZ3-CG 4.32Å; W231-V248 HydrophobicContact CE3-CG2 4.43Å; W231-V248 WeakPolarHBondContact O-CG2 3.39Å; W231-A251 HydrophobicContact CD2-CB 4.42Å; W231-A251 HydrophobicContact CE3-CB 3.96Å; W231-A251 HydrophobicContact CH2-CB 4.07Å; W231-A251 HydrophobicContact CZ3-CB 3.76Å; W231-L264 HydrophobicContact CZ2-CD1 4.13Å; W231-L267 HydrophobicContact CH2-CD1 4.43Å; W231-L267 HydrophobicContact CZ3-CD1 4.49Å
232	F	91.6	Very high	92.6	Very high	16 Å²	16	54.2 Å²	54.2	7%	0.07	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-1.7	-179.2	-51.2	-42.6	0	0	0	114.3	F223 L226 M227 G230 V248 L627 I631	F223-F232 AromaticContact CD2-CE2 3.86Å; F223-F232 HydrophobicContact CD2-CE2 3.86Å; F223-F232 AromaticContact CD2-CZ 3.71Å; F223-F232 HydrophobicContact CD2-CZ 3.71Å; F223-F232 HydrophobicContact CE1-CE2 4.19Å; F223-F232 HydrophobicContact CE2-CD2 4.36Å; F223-F232 AromaticContact CE2-CE2 3.43Å; F223-F232 HydrophobicContact CE2-CE2 3.43Å; F223-F232 VanDerWaalsContact CE2-CE2 3.43Å; F223-F232 AromaticContact CE2-CZ 3.58Å; F223-F232 HydrophobicContact CE2-CZ 3.58Å; F223-F232 HydrophobicContact CG-CE2 4.4Å; F223-F232 HydrophobicContact CG-CZ 4.48Å; F223-F232 HydrophobicContact CZ-CD2 4.31Å; F223-F232 AromaticContact CZ-CE2 3.62Å; F223-F232 HydrophobicContact CZ-CE2 3.62Å; F223-F232 HydrophobicContact CZ-CZ 4.25Å; L226-F232 HydrophobicContact CB-CE1 4.17Å; L226-F232 HydrophobicContact CB-CE2 4.13Å; L226-F232 HydrophobicContact CB-CZ 3.65Å; L226-F232 HydrophobicContact CD1-CZ 4.37Å; M227-F232 HydrophobicContact CB-CD2 3.99Å; M227-F232 HydrophobicContact CB-CE2 3.83Å; M227-F232 HydrophobicContact CG-CD2 4.36Å; G230-F232 PolarHBondContact O-N 2.88Å; F232-V248 HydrophobicContact CD1-CG1 3.92Å; F232-V248 HydrophobicContact CE1-CG1 3.56Å; F232-L627 HydrophobicContact CD1-CD1 3.73Å; F232-L627 HydrophobicContact CE1-CD1 4.16Å; F232-L627 HydrophobicContact CG-CD1 4.27Å; F232-I631 HydrophobicContact CE1-CD1 4.05Å; F232-I631 HydrophobicContact CZ-CD1 4.04Å
233	E	86.9	Confident	92.5	Very high	123 Å²	123	58.3 Å²	58.3	58%	0.575	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-34.2	-173.8	-64.3	-165.2	147	0	0	114	G230	G230-E233 PolarHBondContact O-N 2.85Å; G230-E233 VanDerWaalsContact O-N 3.1Å
234	N	84.6	Confident	92.3	Very high	145 Å²	145	59.6 Å²	59.6	78%	0.775	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	19.3	-174.4	-65.5	-62.3	0	0	0	113
235	V	90.6	Very high	92.3	Very high	18 Å²	18	58.3 Å²	58.3	11%	0.109	30%	0.304	C	S	.	.			trans	-124.3	131.7	-176.9	-175.4	0	0	0	0	110.2	A244 I245 V248	V235-A244 HydrophobicContact CG2-CB 4.12Å; V235-I245 HydrophobicContact CG1-CG1 3.89Å; V235-V248 HydrophobicContact CG2-CG2 3.83Å
236	S	92.9	Very high	92.3	Very high	21 Å²	21	58.6 Å²	58.6	15%	0.147	31%	0.307	C	S	.	.			trans	-118.9	143.8	171.1	-179.1	0	0	0	0	108.8	D238 Q241 I245 D623 R659	S236-D238 WeakPolarHBondContact CB-OD2 3.21Å; S236-D238 PolarHBondContact O-N 2.73Å; S236-D238 PolarHBondContact OG-OD2 3.23Å; S236-Q241 WeakPolarHBondContact O-CB 3.38Å; S236-I245 WeakPolarHBondContact O-CD1 3.34Å; S236-D623 VanDerWaalsContact CA-OD2 3.28Å; S236-D623 WeakPolarHBondContact CA-OD2 3.49Å; S236-D623 PolarHBondContact OG-OD2 3.29Å; S236-R659 PolarHBondContact OG-NH2 2.81Å; S236-R659 VanDerWaalsContact OG-NH2 3.09Å
237	L	94.3	Very high	92.2	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.016	32%	0.32	C	S	.	.	S	Bend	trans	-81.2	50.6	175.9	-58.6	179.5	0	0	0	112.1	I245 D623 L626 L627 I656 V658 R659	L237-I245 HydrophobicContact CD2-CD1 4.29Å; L237-I245 HydrophobicContact CD2-CG1 4.28Å; L237-I245 HydrophobicContact CD2-CG2 4.33Å; L237-D623 WeakPolarHBondContact CB-OD1 3.4Å; L237-D623 HydrophobicContact CD1-CB 4.19Å; L237-D623 HydrophobicContact CG-CB 4.01Å; L237-D623 WeakPolarHBondContact CG-OD1 3.27Å; L237-D623 PolarHBondContact N-OD2 2.93Å; L237-L626 HydrophobicContact CD1-CB 3.59Å; L237-L626 HydrophobicContact CD1-CD1 4.17Å; L237-L626 HydrophobicContact CD1-CG 4.42Å; L237-L627 HydrophobicContact CD1-CG 4.39Å; L237-L627 HydrophobicContact CD2-CD2 4.13Å; L237-L627 HydrophobicContact CD2-CG 4.26Å; L237-I656 HydrophobicContact CD2-CD1 4.12Å; L237-V658 HydrophobicContact CB-CG1 4.46Å; L237-V658 WeakPolarHBondContact O-CB 3.23Å; L237-R659 WeakPolarHBondContact O-CB 3.41Å; L237-R659 PolarHBondContact O-N 3.4Å
238	D	93.7	Very high	92.3	Very high	16 Å²	16	59 Å²	59	9%	0.086	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-106.4	142.3	173.1	-57	-37.7	0	0	0	109.1	S236 E240 Q241 K614 R659	S236-D238 WeakPolarHBondContact CB-OD2 3.21Å; S236-D238 PolarHBondContact O-N 2.73Å; S236-D238 PolarHBondContact OG-OD2 3.23Å; D238-E240 PolarHBondContact O-N 3.23Å; D238-Q241 PolarHBondContact O-N 2.83Å; D238-K614 IonicContact OD2-NZ 2.8Å; D238-K614 PolarHBondContact OD2-NZ 2.97Å; D238-R659 IonicContact OD1-CZ 2.86Å; D238-R659 VanDerWaalsContact OD1-CZ 3.32Å; D238-R659 IonicContact OD1-NE 3.94Å; D238-R659 PolarHBondContact OD1-NE 3.45Å; D238-R659 IonicContact OD1-NH2 2.76Å; D238-R659 PolarHBondContact OD1-NH2 3.28Å; D238-R659 IonicContact OD2-NH2 2.86Å
239	I	93.6	Very high	92.4	Very high	44 Å²	44	51.7 Å²	51.7	23%	0.226	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-55	-28.9	-174.6	-171.5	60.6	0	0	0	114.4	Q241 T242 V518 N520 V658 R659	I239-Q241 VanDerWaalsContact C-N 3.28Å; I239-Q241 PolarHBondContact O-N 2.67Å; I239-T242 WeakPolarHBondContact O-CB 3.33Å; I239-T242 PolarHBondContact O-N 3.15Å; I239-T242 PolarHBondContact O-OG1 3.41Å; I239-V518 HydrophobicContact CD1-CG1 3.93Å; I239-N520 HydrophobicContact CB-CB 4.21Å; I239-N520 HydrophobicContact CD1-CB 4.09Å; I239-N520 HydrophobicContact CG1-CB 4.06Å; I239-V658 HydrophobicContact CB-CG2 4.13Å; I239-V658 HydrophobicContact CD1-CG2 3.94Å; I239-R659 PolarHBondContact N-O 2.86Å
240	E	91.9	Very high	92.5	Very high	160 Å²	160	47.9 Å²	47.9	75%	0.748	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-65.2	-30.3	178.3	-63.9	174.5	-167.7	0	0	112.4	D238 T242	D238-E240 PolarHBondContact O-N 3.23Å; E240-T242 PolarHBondContact O-N 3.24Å
241	Q	92.1	Very high	92.6	Very high	87 Å²	87	46.9 Å²	46.9	41%	0.407	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-86.7	15.9	179.7	-65.7	-64.5	-11.7	0	0	113.6	S236 D238 I239 P243 A244 I245	S236-Q241 WeakPolarHBondContact O-CB 3.38Å; D238-Q241 PolarHBondContact O-N 2.83Å; I239-Q241 VanDerWaalsContact C-N 3.28Å; I239-Q241 PolarHBondContact O-N 2.67Å; Q241-P243 VanDerWaalsContact C-N 3.31Å; Q241-P243 VanDerWaalsContact O-N 3.08Å; Q241-A244 PolarHBondContact O-N 3.34Å; Q241-I245 HydrophobicContact CB-CD1 4.25Å; Q241-I245 HydrophobicContact CB-CG1 4.35Å; Q241-I245 WeakPolarHBondContact O-CG1 3.12Å; Q241-I245 PolarHBondContact O-N 3.32Å
242	T	92.8	Very high	92.7	Very high	40 Å²	40	44.1 Å²	44.1	25%	0.245	23%	0.232	C	C	.	.	H	α-helix	trans	-41.3	-46.2	-179.9	-74.7	0	0	0	0	114.7	I239 E240 I246 V518	I239-T242 WeakPolarHBondContact O-CB 3.33Å; I239-T242 PolarHBondContact O-N 3.15Å; I239-T242 PolarHBondContact O-OG1 3.41Å; E240-T242 PolarHBondContact O-N 3.24Å; T242-I246 HydrophobicContact CG2-CD1 3.78Å; T242-I246 VanDerWaalsContact O-CG1 3.3Å; T242-I246 WeakPolarHBondContact O-CG1 3.21Å; T242-I246 PolarHBondContact O-N 2.89Å; T242-V518 HydrophobicContact CG2-CB 4.04Å; T242-V518 HydrophobicContact CG2-CG2 4.03Å; T242-V518 WeakPolarHBondContact OG1-CG1 3.45Å
243	P	92.8	Very high	92.9	Very high	94 Å²	94	43.7 Å²	43.7	61%	0.61	23%	0.231	S	C	*	.	H	α-helix	trans	-64.4	-41.5	179.3	-21.8	34.5	0	0	0	113.5	Q241 I246 K247	Q241-P243 VanDerWaalsContact C-N 3.31Å; Q241-P243 VanDerWaalsContact O-N 3.08Å; P243-I246 PolarHBondContact O-N 2.54Å; P243-K247 PolarHBondContact O-N 3.41Å
244	A	93.5	Very high	93.3	Very high	27 Å²	27	37.9 Å²	37.9	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-69.2	-40.1	179.8	0	0	0	0	0	111.6	V235 Q241 I246 K247 V248	V235-A244 HydrophobicContact CG2-CB 4.12Å; Q241-A244 PolarHBondContact O-N 3.34Å; A244-I246 VanDerWaalsContact C-N 3.35Å; A244-I246 PolarHBondContact O-N 3.44Å; A244-K247 PolarHBondContact O-N 2.88Å; A244-V248 PolarHBondContact O-N 2.82Å
245	I	94.3	Very high	93.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-61	-44.3	174.4	-60.5	169.4	0	0	0	110.4	V235 S236 L237 Q241 V248 L249 V518 I656 V658	V235-I245 HydrophobicContact CG1-CG1 3.89Å; S236-I245 WeakPolarHBondContact O-CD1 3.34Å; L237-I245 HydrophobicContact CD2-CD1 4.29Å; L237-I245 HydrophobicContact CD2-CG1 4.28Å; L237-I245 HydrophobicContact CD2-CG2 4.33Å; Q241-I245 HydrophobicContact CB-CD1 4.25Å; Q241-I245 HydrophobicContact CB-CG1 4.35Å; Q241-I245 WeakPolarHBondContact O-CG1 3.12Å; Q241-I245 PolarHBondContact O-N 3.32Å; I245-V248 PolarHBondContact O-N 2.96Å; I245-L249 HydrophobicContact CG2-CD1 4.39Å; I245-L249 WeakPolarHBondContact O-CG 3.29Å; I245-L249 PolarHBondContact O-N 2.85Å; I245-V518 HydrophobicContact CB-CG2 4.43Å; I245-V518 HydrophobicContact CG2-CG2 4.11Å; I245-I656 HydrophobicContact CG2-CD1 4.34Å; I245-I656 HydrophobicContact CG2-CG2 4.06Å; I245-V658 HydrophobicContact CD1-CG1 4.06Å
246	I	93.8	Very high	93.9	Very high	52 Å²	52	32 Å²	32	27%	0.267	17%	0.17	S	C	.	.	H	α-helix	trans	-62.2	-44.5	175.1	-71.7	168.6	0	0	0	110.8	T242 P243 A244 V248 L249 D250 V518	T242-I246 HydrophobicContact CG2-CD1 3.78Å; T242-I246 VanDerWaalsContact O-CG1 3.3Å; T242-I246 WeakPolarHBondContact O-CG1 3.21Å; T242-I246 PolarHBondContact O-N 2.89Å; P243-I246 PolarHBondContact O-N 2.54Å; A244-I246 VanDerWaalsContact C-N 3.35Å; A244-I246 PolarHBondContact O-N 3.44Å; I246-V248 VanDerWaalsContact C-N 3.34Å; I246-V248 PolarHBondContact O-N 2.97Å; I246-L249 PolarHBondContact O-N 2.83Å; I246-D250 WeakPolarHBondContact O-CB 3.45Å; I246-D250 PolarHBondContact O-N 2.88Å; I246-V518 HydrophobicContact CD1-CG2 4.19Å; I246-V518 HydrophobicContact CG1-CG2 3.81Å
247	K	93.9	Very high	93.8	Very high	61 Å²	61	33.6 Å²	33.6	27%	0.265	18%	0.175	S	C	.	.	H	α-helix	trans	-57.9	-44.3	178.5	-161.2	-171	180	-173	0	112.1	W231 P243 A244 D250 A251 L267 D268	W231-K247 HydrophobicContact CZ3-CD 4.29Å; W231-K247 HydrophobicContact CZ3-CG 4.32Å; P243-K247 PolarHBondContact O-N 3.41Å; A244-K247 PolarHBondContact O-N 2.88Å; K247-D250 PolarHBondContact O-N 2.96Å; K247-A251 WeakPolarHBondContact O-CB 3.35Å; K247-A251 PolarHBondContact O-N 3.36Å; K247-L267 HydrophobicContact CD-CB 4.49Å; K247-L267 WeakPolarHBondContact CE-O 3.43Å; K247-L267 HydrophobicContact CG-CB 4Å; K247-L267 HydrophobicContact CG-CD1 4.28Å; K247-D268 IonicContact NZ-OD1 2.77Å; K247-D268 PolarHBondContact NZ-OD1 3.22Å; K247-D268 IonicContact NZ-OD2 2.69Å; K247-D268 PolarHBondContact NZ-OD2 2.97Å
248	V	94.7	Very high	93.6	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.024	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-44.1	177.2	168.2	0	0	0	0	112.1	W231 F232 V235 A244 I245 I246 D250 A251 A252 L627	W231-V248 HydrophobicContact CE3-CG2 4.43Å; W231-V248 WeakPolarHBondContact O-CG2 3.39Å; F232-V248 HydrophobicContact CD1-CG1 3.92Å; F232-V248 HydrophobicContact CE1-CG1 3.56Å; V235-V248 HydrophobicContact CG2-CG2 3.83Å; A244-V248 PolarHBondContact O-N 2.82Å; I245-V248 PolarHBondContact O-N 2.96Å; I246-V248 VanDerWaalsContact C-N 3.34Å; I246-V248 PolarHBondContact O-N 2.97Å; V248-D250 VanDerWaalsContact C-N 3.32Å; V248-D250 PolarHBondContact O-N 3.28Å; V248-A251 PolarHBondContact O-N 3.07Å; V248-A252 PolarHBondContact O-N 3.21Å; V248-L627 HydrophobicContact CG1-CD2 4.47Å
249	L	94.9	Very high	93.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-37.9	176.8	-68.5	178.3	0	0	0	111.7	I245 I246 A252 V253 I631 C653 I656	I245-L249 HydrophobicContact CG2-CD1 4.39Å; I245-L249 WeakPolarHBondContact O-CG 3.29Å; I245-L249 PolarHBondContact O-N 2.85Å; I246-L249 PolarHBondContact O-N 2.83Å; L249-A252 WeakPolarHBondContact O-CB 3.42Å; L249-A252 PolarHBondContact O-N 2.87Å; L249-V253 WeakPolarHBondContact O-CG2 3.21Å; L249-V253 PolarHBondContact O-N 2.91Å; L249-I631 HydrophobicContact CD2-CG1 4.27Å; L249-C653 HydrophobicContact CB-CB 4.41Å; L249-C653 HydrophobicContact CD2-CB 4.21Å; L249-I656 HydrophobicContact CD1-CB 4.2Å; L249-I656 HydrophobicContact CD1-CD1 4.46Å; L249-I656 HydrophobicContact CD1-CG2 3.83Å
250	D	94.8	Very high	93.3	Very high	13 Å²	13	37 Å²	37	7%	0.07	21%	0.212	C	C	.	.	H	α-helix	trans	-76	-28.4	178.8	-70.9	-16	0	0	0	113	I246 K247 V248 A252 V253 I254 L267 H432 R517	I246-D250 WeakPolarHBondContact O-CB 3.45Å; I246-D250 PolarHBondContact O-N 2.88Å; K247-D250 PolarHBondContact O-N 2.96Å; V248-D250 VanDerWaalsContact C-N 3.32Å; V248-D250 PolarHBondContact O-N 3.28Å; D250-A252 VanDerWaalsContact C-N 3.34Å; D250-V253 PolarHBondContact O-N 2.93Å; D250-I254 VanDerWaalsContact O-CG1 3.31Å; D250-I254 WeakPolarHBondContact O-CG1 3.23Å; D250-I254 PolarHBondContact O-N 3.23Å; D250-L267 HydrophobicContact CB-CD2 3.78Å; D250-H432 HydrophobicContact CB-CB 3.73Å; D250-H432 IonicContact OD2-CD2 3.72Å; D250-R517 IonicContact OD1-CZ 2.56Å; D250-R517 IonicContact OD1-NH1 3.61Å; D250-R517 PolarHBondContact OD1-NH1 3.3Å; D250-R517 IonicContact OD1-NH2 3.6Å; D250-R517 PolarHBondContact OD1-NH2 3.08Å; D250-R517 IonicContact OD2-CZ 3.87Å; D250-R517 IonicContact OD2-NH1 4Å; D250-R517 PolarHBondContact OD2-NH1 2.98Å
251	A	94.8	Very high	93.2	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-42.1	166.4	0	0	0	0	0	111.3	L226 W231 K247 V248 I254 K255 L264 L267	L226-A251 HydrophobicContact CD2-CB 3.93Å; W231-A251 HydrophobicContact CD2-CB 4.42Å; W231-A251 HydrophobicContact CE3-CB 3.96Å; W231-A251 HydrophobicContact CH2-CB 4.07Å; W231-A251 HydrophobicContact CZ3-CB 3.76Å; K247-A251 WeakPolarHBondContact O-CB 3.35Å; K247-A251 PolarHBondContact O-N 3.36Å; V248-A251 PolarHBondContact O-N 3.07Å; A251-I254 PolarHBondContact O-N 3.43Å; A251-K255 WeakPolarHBondContact O-CG 3.21Å; A251-K255 PolarHBondContact O-N 3.48Å; A251-K255 VanDerWaalsContact O-N 3.12Å; A251-L264 HydrophobicContact CB-CD2 3.81Å; A251-L267 HydrophobicContact CB-CD1 3.72Å
252	A	95.3	Very high	93	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-44.4	172.6	0	0	0	0	0	111.9	V222 L226 V248 L249 D250 K255 M256 I631	V222-A252 HydrophobicContact CG1-CB 4.15Å; L226-A252 HydrophobicContact CD1-CB 3.74Å; V248-A252 PolarHBondContact O-N 3.21Å; L249-A252 WeakPolarHBondContact O-CB 3.42Å; L249-A252 PolarHBondContact O-N 2.87Å; D250-A252 VanDerWaalsContact C-N 3.34Å; A252-K255 PolarHBondContact O-N 3.02Å; A252-M256 HydrophobicContact CB-CE 4.38Å; A252-M256 WeakPolarHBondContact O-CB 3.29Å; A252-M256 VanDerWaalsContact O-CG 3.28Å; A252-M256 WeakPolarHBondContact O-CG 3.48Å; A252-M256 PolarHBondContact O-N 3.12Å; A252-I631 HydrophobicContact CB-CD1 4.42Å; A252-I631 HydrophobicContact CB-CG2 4.22Å
253	V	94.9	Very high	92.9	Very high	8 Å²	8	31 Å²	31	5%	0.048	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-45.7	177.3	-179	0	0	0	0	111.8	L249 D250 K255 M256 E257 H432 R652 C653	L249-V253 WeakPolarHBondContact O-CG2 3.21Å; L249-V253 PolarHBondContact O-N 2.91Å; D250-V253 PolarHBondContact O-N 2.93Å; V253-K255 VanDerWaalsContact C-N 3.25Å; V253-K255 PolarHBondContact O-N 3.42Å; V253-M256 HydrophobicContact CB-CE 4.39Å; V253-M256 HydrophobicContact CG2-CE 3.98Å; V253-M256 PolarHBondContact O-N 3.01Å; V253-E257 HydrophobicContact CG1-CG 4.25Å; V253-E257 WeakPolarHBondContact O-CG 3.42Å; V253-E257 PolarHBondContact O-N 3.42Å; V253-H432 HydrophobicContact CB-CB 4.24Å; V253-H432 HydrophobicContact CG1-CB 4.31Å; V253-R652 HydrophobicContact CG1-CB 4.27Å; V253-R652 HydrophobicContact CG1-CG 4.37Å; V253-R652 HydrophobicContact CG2-CB 4.22Å; V253-C653 HydrophobicContact CG2-CB 3.92Å
254	I	95	Very high	92.8	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-54.3	-45.6	176	-72.5	167.8	0	0	0	110.3	D250 A251 E257 G259 D263 L264 I266 L267 L431 H432	D250-I254 VanDerWaalsContact O-CG1 3.31Å; D250-I254 WeakPolarHBondContact O-CG1 3.23Å; D250-I254 PolarHBondContact O-N 3.23Å; A251-I254 PolarHBondContact O-N 3.43Å; I254-E257 PolarHBondContact O-N 2.91Å; I254-G259 VanDerWaalsContact O-CA 3.26Å; I254-G259 WeakPolarHBondContact O-CA 3.43Å; I254-G259 PolarHBondContact O-N 3.49Å; I254-D263 HydrophobicContact CG2-CB 3.87Å; I254-L264 HydrophobicContact CB-CD2 4.02Å; I254-L264 HydrophobicContact CD1-CD2 4.23Å; I254-L264 HydrophobicContact CG2-CD2 3.86Å; I254-L264 HydrophobicContact CG2-CG 4.35Å; I254-I266 HydrophobicContact CD1-CG2 3.84Å; I254-L267 HydrophobicContact CD1-CD1 3.95Å; I254-L267 HydrophobicContact CD1-CD2 3.94Å; I254-L267 HydrophobicContact CD1-CG 3.81Å; I254-L431 HydrophobicContact CG1-CB 4.3Å; I254-L431 HydrophobicContact CG2-CD1 4.5Å; I254-H432 HydrophobicContact CG1-CB 4.09Å
255	K	94.3	Very high	92.6	Very high	34 Å²	34	31.9 Å²	31.9	15%	0.148	17%	0.17	C	C	.	.	H	α-helix	trans	-69.5	-40	179.2	-74.5	-76.5	171	-177.2	0	113.3	V222 F225 A251 A252 V253 E257 G258 G259 D261 L264	V222-K255 HydrophobicContact CB-CB 4.32Å; V222-K255 HydrophobicContact CG1-CB 3.62Å; V222-K255 HydrophobicContact CG2-CB 3.77Å; F225-K255 HydrophobicContact CD1-CD 4.23Å; F225-K255 HydrophobicContact CD1-CG 4.34Å; F225-K255 HydrophobicContact CE1-CD 4.13Å; F225-K255 VanDerWaalsContact CE1-CE 3.49Å; F225-K255 HydrophobicContact CE1-CG 4.34Å; A251-K255 WeakPolarHBondContact O-CG 3.21Å; A251-K255 PolarHBondContact O-N 3.48Å; A251-K255 VanDerWaalsContact O-N 3.12Å; A252-K255 PolarHBondContact O-N 3.02Å; V253-K255 VanDerWaalsContact C-N 3.25Å; V253-K255 PolarHBondContact O-N 3.42Å; K255-E257 PolarHBondContact O-N 2.87Å; K255-G258 PolarHBondContact O-N 2.85Å; K255-G259 WeakPolarHBondContact CD-O 3.38Å; K255-G259 WeakPolarHBondContact CE-O 3.49Å; K255-G259 PolarHBondContact NZ-O 3.35Å; K255-D261 WeakPolarHBondContact CE-OD1 3.49Å; K255-D261 IonicContact NZ-OD1 3.02Å; K255-D261 PolarHBondContact NZ-OD1 2.79Å; K255-L264 HydrophobicContact CG-CD2 4.4Å
256	M	93.8	Very high	92.4	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.034	17%	0.174	C	C	.	.	H	α-helix	trans	-65.8	-22.7	175.5	-72.9	-174.6	-64.1	0	0	114	R219 V222 A252 V253 R652 C653	R219-M256 HydrophobicContact CG-CG 4.44Å; R219-M256 HydrophobicContact CG-SD 3.7Å; V222-M256 HydrophobicContact CB-CG 4.42Å; V222-M256 HydrophobicContact CG1-CG 4.33Å; V222-M256 HydrophobicContact CG2-CG 4.08Å; A252-M256 HydrophobicContact CB-CE 4.38Å; A252-M256 WeakPolarHBondContact O-CB 3.29Å; A252-M256 VanDerWaalsContact O-CG 3.28Å; A252-M256 WeakPolarHBondContact O-CG 3.48Å; A252-M256 PolarHBondContact O-N 3.12Å; V253-M256 HydrophobicContact CB-CE 4.39Å; V253-M256 HydrophobicContact CG2-CE 3.98Å; V253-M256 PolarHBondContact O-N 3.01Å; M256-R652 HydrophobicContact CE-CB 3.58Å; M256-R652 PolarHBondContact O-NH1 3.37Å; M256-R652 VanDerWaalsContact O-NH1 3.08Å; M256-R652 PolarHBondContact O-NH2 3.25Å; M256-R652 HydrophobicContact SD-CB 4.42Å; M256-C653 HydrophobicContact CE-CB 4.41Å
257	E	91.7	Very high	92.1	Very high	54 Å²	54	31.7 Å²	31.7	25%	0.252	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	13.8	172.8	-61.2	-66.7	166.8	0	0	112.8	V253 I254 K255 L431 R463 R652	V253-E257 HydrophobicContact CG1-CG 4.25Å; V253-E257 WeakPolarHBondContact O-CG 3.42Å; V253-E257 PolarHBondContact O-N 3.42Å; I254-E257 PolarHBondContact O-N 2.91Å; K255-E257 PolarHBondContact O-N 2.87Å; E257-L431 HydrophobicContact CB-CB 4.1Å; E257-L431 HydrophobicContact CB-CD1 4.26Å; E257-R463 IonicContact OE1-CZ 3.84Å; E257-R463 IonicContact OE1-NE 3.18Å; E257-R463 IonicContact OE1-NH2 2.73Å; E257-R463 PolarHBondContact OE1-NH2 2.86Å; E257-R652 WeakPolarHBondContact OE1-CD 3.22Å; E257-R652 WeakPolarHBondContact OE1-CG 3.49Å; E257-R652 IonicContact OE1-CZ 2.68Å; E257-R652 IonicContact OE1-NE 3.53Å; E257-R652 IonicContact OE1-NH1 2.66Å; E257-R652 PolarHBondContact OE1-NH1 2.71Å; E257-R652 IonicContact OE2-NH1 2.68Å; E257-R652 PolarHBondContact OE2-NH1 2.95Å
258	G	90.1	Very high	91.8	Very high	58 Å²	58	34.4 Å²	34.4	60%	0.598	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	27.2	176.1	0	0	0	0	0	115	K255	K255-G258 PolarHBondContact O-N 2.85Å
259	G	90	Very high	91.2	Very high	7 Å²	7	37.9 Å²	37.9	7%	0.072	20%	0.204	C	C	.	.			trans	-73	139.7	178.1	0	0	0	0	0	114.6	I254 K255	I254-G259 VanDerWaalsContact O-CA 3.26Å; I254-G259 WeakPolarHBondContact O-CA 3.43Å; I254-G259 PolarHBondContact O-N 3.49Å; K255-G259 WeakPolarHBondContact CD-O 3.38Å; K255-G259 WeakPolarHBondContact CE-O 3.49Å; K255-G259 PolarHBondContact NZ-O 3.35Å
260	T	91	Very high	90.1	Very high	69 Å²	69	41.5 Å²	41.5	42%	0.423	23%	0.227	S	C	.	.			trans	-76.9	170.3	172.8	65.6	0	0	0	0	111.6	H262 D263 L264	T260-H262 PolarHBondContact O-N 3.16Å; T260-H262 PolarHBondContact OG1-N 2.72Å; T260-D263 WeakPolarHBondContact CB-OD2 3.45Å; T260-D263 PolarHBondContact N-OD2 2.98Å; T260-D263 WeakPolarHBondContact O-CB 3.27Å; T260-D263 PolarHBondContact O-N 3.04Å; T260-D263 VanDerWaalsContact O-N 3.11Å; T260-D263 PolarHBondContact OG1-N 3.23Å; T260-D263 VanDerWaalsContact OG1-N 3.11Å; T260-D263 PolarHBondContact OG1-OD2 3.26Å; T260-L264 PolarHBondContact O-N 2.83Å
261	D	88.2	Confident	88.8	Confident	97 Å²	97	43.4 Å²	43.4	52%	0.519	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.1	172.1	-54.7	-31.1	0	0	0	112.2	F225 K255	F225-D261 WeakPolarHBondContact CZ-OD1 3.12Å; K255-D261 WeakPolarHBondContact CE-OD1 3.49Å; K255-D261 IonicContact NZ-OD1 3.02Å; K255-D261 PolarHBondContact NZ-OD1 2.79Å
262	H	89	Confident	87.2	Confident	58 Å²	58	46.9 Å²	46.9	27%	0.269	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-44.8	168.6	-178.1	102.5	0	0	0	110.7	T260 L264 R265 S425 P428	T260-H262 PolarHBondContact O-N 3.16Å; T260-H262 PolarHBondContact OG1-N 2.72Å; H262-L264 PolarHBondContact O-N 3.44Å; H262-R265 PolarHBondContact CE1-NH1 3.32Å; H262-R265 PolarHBondContact ND1-NH1 3.27Å; H262-R265 WeakPolarHBondContact O-CB 3.27Å; H262-R265 VanDerWaalsContact O-CG 3.26Å; H262-R265 WeakPolarHBondContact O-CG 3.43Å; H262-R265 PolarHBondContact O-N 3.03Å; H262-S425 VanDerWaalsContact NE2-CB 3.26Å; H262-S425 WeakPolarHBondContact NE2-CB 3.26Å; H262-S425 PolarHBondContact NE2-OG 3.5Å; H262-P428 WeakPolarHBondContact O-CB 3.46Å
263	D	89.7	Confident	85.4	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.027	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-59.6	-33.1	179.3	-64.5	-68.8	0	0	0	112.6	I254 T260 R265 I266 R429	I254-D263 HydrophobicContact CG2-CB 3.87Å; T260-D263 WeakPolarHBondContact CB-OD2 3.45Å; T260-D263 PolarHBondContact N-OD2 2.98Å; T260-D263 WeakPolarHBondContact O-CB 3.27Å; T260-D263 PolarHBondContact O-N 3.04Å; T260-D263 VanDerWaalsContact O-N 3.11Å; T260-D263 PolarHBondContact OG1-N 3.23Å; T260-D263 VanDerWaalsContact OG1-N 3.11Å; T260-D263 PolarHBondContact OG1-OD2 3.26Å; D263-R265 PolarHBondContact O-N 2.9Å; D263-R265 VanDerWaalsContact O-N 3.16Å; D263-I266 VanDerWaalsContact O-CG2 3.22Å; D263-I266 WeakPolarHBondContact O-CG2 3.37Å; D263-I266 PolarHBondContact O-N 3.11Å; D263-R429 VanDerWaalsContact OD1-CB 3.29Å; D263-R429 WeakPolarHBondContact OD1-CB 3.48Å; D263-R429 WeakPolarHBondContact OD1-CG 3.36Å; D263-R429 IonicContact OD1-CZ 3.61Å; D263-R429 PolarHBondContact OD1-N 2.63Å; D263-R429 IonicContact OD1-NE 3.79Å; D263-R429 PolarHBondContact OD1-NE 3.16Å; D263-R429 IonicContact OD1-NH2 3.43Å; D263-R429 IonicContact OD2-CZ 2.81Å; D263-R429 IonicContact OD2-NE 2.69Å; D263-R429 IonicContact OD2-NH2 2.66Å; D263-R429 PolarHBondContact OD2-NH2 2.66Å
264	L	91	Very high	83.6	Confident	12 Å²	12	57.5 Å²	57.5	6%	0.063	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-58.4	-26.2	175.2	-71.1	176.9	0	0	0	113.7	F225 W231 A251 I254 K255 T260 H262 I266 L267	F225-L264 HydrophobicContact CE1-CD1 4.02Å; F225-L264 HydrophobicContact CZ-CD1 4.29Å; W231-L264 HydrophobicContact CZ2-CD1 4.13Å; A251-L264 HydrophobicContact CB-CD2 3.81Å; I254-L264 HydrophobicContact CB-CD2 4.02Å; I254-L264 HydrophobicContact CD1-CD2 4.23Å; I254-L264 HydrophobicContact CG2-CD2 3.86Å; I254-L264 HydrophobicContact CG2-CG 4.35Å; K255-L264 HydrophobicContact CG-CD2 4.4Å; T260-L264 PolarHBondContact O-N 2.83Å; H262-L264 PolarHBondContact O-N 3.44Å; L264-I266 PolarHBondContact O-N 3.19Å; L264-I266 VanDerWaalsContact O-N 3.1Å; L264-L267 HydrophobicContact CD2-CD1 4.38Å; L264-L267 WeakPolarHBondContact O-CB 3.5Å; L264-L267 WeakPolarHBondContact O-CG 3.29Å; L264-L267 PolarHBondContact O-N 2.9Å; L264-L267 VanDerWaalsContact O-N 3.09Å
265	R	89.3	Confident	81.8	Confident	128 Å²	128	59.4 Å²	59.4	48%	0.483	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-60.7	-20.7	-179.8	-61.7	173.3	176.5	-173.8	-3	113.3	H262 D263 L267 D268 M269 P428	H262-R265 PolarHBondContact CE1-NH1 3.32Å; H262-R265 PolarHBondContact ND1-NH1 3.27Å; H262-R265 WeakPolarHBondContact O-CB 3.27Å; H262-R265 VanDerWaalsContact O-CG 3.26Å; H262-R265 WeakPolarHBondContact O-CG 3.43Å; H262-R265 PolarHBondContact O-N 3.03Å; D263-R265 PolarHBondContact O-N 2.9Å; D263-R265 VanDerWaalsContact O-N 3.16Å; R265-L267 PolarHBondContact O-N 3.04Å; R265-D268 PolarHBondContact O-N 2.89Å; R265-D268 VanDerWaalsContact O-N 3.09Å; R265-M269 HydrophobicContact CB-CE 4.47Å; R265-M269 PolarHBondContact O-N 3.16Å; R265-P428 HydrophobicContact CB-CG 4.45Å
266	I	89.9	Confident	80	Confident	18 Å²	18	64.4 Å²	64.4	9%	0.092	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-64.5	-18.7	176.5	-161.3	148	0	0	0	113.3	I254 D263 L264 D268 M269 P428 P430	I254-I266 HydrophobicContact CD1-CG2 3.84Å; D263-I266 VanDerWaalsContact O-CG2 3.22Å; D263-I266 WeakPolarHBondContact O-CG2 3.37Å; D263-I266 PolarHBondContact O-N 3.11Å; L264-I266 PolarHBondContact O-N 3.19Å; L264-I266 VanDerWaalsContact O-N 3.1Å; I266-D268 PolarHBondContact O-N 3.44Å; I266-M269 PolarHBondContact O-N 3.32Å; I266-P428 HydrophobicContact CB-CB 4.15Å; I266-P428 HydrophobicContact CB-CG 4.05Å; I266-P428 VanDerWaalsContact CD1-O 3.28Å; I266-P428 WeakPolarHBondContact CD1-O 3.48Å; I266-P430 HydrophobicContact CD1-CB 3.75Å; I266-P430 HydrophobicContact CD1-CG 4.38Å
267	L	87.8	Confident	78.1	Confident	31 Å²	31	72.6 Å²	72.6	16%	0.162	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-77.9	-8.6	176.1	-57.4	177.8	0	0	0	113.3	W231 K247 D250 A251 I254 L264 R265	W231-L267 HydrophobicContact CH2-CD1 4.43Å; W231-L267 HydrophobicContact CZ3-CD1 4.49Å; K247-L267 HydrophobicContact CD-CB 4.49Å; K247-L267 WeakPolarHBondContact CE-O 3.43Å; K247-L267 HydrophobicContact CG-CB 4Å; K247-L267 HydrophobicContact CG-CD1 4.28Å; D250-L267 HydrophobicContact CB-CD2 3.78Å; A251-L267 HydrophobicContact CB-CD1 3.72Å; I254-L267 HydrophobicContact CD1-CD1 3.95Å; I254-L267 HydrophobicContact CD1-CD2 3.94Å; I254-L267 HydrophobicContact CD1-CG 3.81Å; L264-L267 HydrophobicContact CD2-CD1 4.38Å; L264-L267 WeakPolarHBondContact O-CB 3.5Å; L264-L267 WeakPolarHBondContact O-CG 3.29Å; L264-L267 PolarHBondContact O-N 2.9Å; L264-L267 VanDerWaalsContact O-N 3.09Å; R265-L267 PolarHBondContact O-N 3.04Å
268	D	86.9	Confident	76.3	Confident	119 Å²	119	76.2 Å²	76.2	64%	0.636	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-111.5	-0.6	174.5	-70.7	-69.9	0	0	0	112.3	K247 R265 I266	K247-D268 IonicContact NZ-OD1 2.77Å; K247-D268 PolarHBondContact NZ-OD1 3.22Å; K247-D268 IonicContact NZ-OD2 2.69Å; K247-D268 PolarHBondContact NZ-OD2 2.97Å; R265-D268 PolarHBondContact O-N 2.89Å; R265-D268 VanDerWaalsContact O-N 3.09Å; I266-D268 PolarHBondContact O-N 3.44Å
269	M	82.6	Confident	74.6	Confident	76 Å²	76	78.7 Å²	78.7	37%	0.374	38%	0.38	S	S	.	.	S	Bend	trans	-92.6	148.6	174.3	-67	-177.7	-178.8	0	0	110.9	R265 I266 P428	R265-M269 HydrophobicContact CB-CE 4.47Å; R265-M269 PolarHBondContact O-N 3.16Å; I266-M269 PolarHBondContact O-N 3.32Å; M269-P428 HydrophobicContact CE-CG 3.66Å; M269-P428 HydrophobicContact SD-CG 3.75Å
270	P	73.1	Confident	72.9	Confident	77 Å²	77	81.4 Å²	81.4	50%	0.5	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-55.4	144.6	168.2	-23.3	34	0	0	0	111.3	E272	P270-E272 PolarHBondContact O-N 2.84Å
271	P	66.6	Low	71.1	Confident	53 Å²	53	82.1 Å²	82.1	34%	0.344	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-63.7	138.8	176.9	27.7	-33.9	0	0	0	110.5	E273 E274 E275	P271-E273 PolarHBondContact O-N 3.24Å; P271-E274 VanDerWaalsContact CD-OE2 3.32Å; P271-E274 WeakPolarHBondContact CD-OE2 3.27Å; P271-E274 HydrophobicContact CG-CB 4.1Å; P271-E274 HydrophobicContact CG-CG 3.86Å; P271-E274 VanDerWaalsContact CG-OE2 3.24Å; P271-E274 WeakPolarHBondContact CG-OE2 3.4Å; P271-E274 WeakPolarHBondContact O-CA 3.33Å; P271-E274 WeakPolarHBondContact O-CB 3.27Å; P271-E274 PolarHBondContact O-N 2.94Å; P271-E275 PolarHBondContact O-N 2.86Å
272	E	61.8	Low	69.4	Low	74 Å²	74	80.8 Å²	80.8	35%	0.346	40%	0.401	S	S	.	.	H	α-helix	trans	-59.2	-26.4	-175.8	-61.1	179.9	120.4	0	0	113.3	P270 E274 E275 E276 R427	P270-E272 PolarHBondContact O-N 2.84Å; E272-E274 PolarHBondContact O-N 3.42Å; E272-E275 PolarHBondContact O-N 3.41Å; E272-E276 WeakPolarHBondContact O-CG 3.18Å; E272-E276 PolarHBondContact O-N 2.87Å; E272-R427 IonicContact OE1-CZ 3.17Å; E272-R427 IonicContact OE1-NE 2.72Å; E272-R427 IonicContact OE1-NH1 2.72Å; E272-R427 PolarHBondContact OE1-NH1 3.45Å
273	E	57.6	Low	67.8	Low	123 Å²	123	83.5 Å²	83.5	58%	0.575	42%	0.421	S	S	*	.	H	α-helix	trans	-66.3	-23.4	173.7	-61.8	-178.7	-154	0	0	113.2	P271 R277 R485	P271-E273 PolarHBondContact O-N 3.24Å; E273-R277 WeakPolarHBondContact O-CD 3.32Å; E273-R277 VanDerWaalsContact O-CG 3.26Å; E273-R277 WeakPolarHBondContact O-CG 3.34Å; E273-R277 PolarHBondContact O-N 2.69Å; E273-R485 IonicContact OE1-NH2 3.15Å
274	E	55.9	Low	66	Low	107 Å²	107	89.9 Å²	89.9	50%	0.5	46%	0.455	S	S	.	.	H	α-helix	trans	-86	-41.7	170.7	-70	178.8	162.2	0	0	110.6	P271 E272 E276 R277 E278	P271-E274 VanDerWaalsContact CD-OE2 3.32Å; P271-E274 WeakPolarHBondContact CD-OE2 3.27Å; P271-E274 HydrophobicContact CG-CB 4.1Å; P271-E274 HydrophobicContact CG-CG 3.86Å; P271-E274 VanDerWaalsContact CG-OE2 3.24Å; P271-E274 WeakPolarHBondContact CG-OE2 3.4Å; P271-E274 WeakPolarHBondContact O-CA 3.33Å; P271-E274 WeakPolarHBondContact O-CB 3.27Å; P271-E274 PolarHBondContact O-N 2.94Å; E272-E274 PolarHBondContact O-N 3.42Å; E274-E276 VanDerWaalsContact C-N 3.31Å; E274-E276 PolarHBondContact O-N 3.07Å; E274-R277 CarbonylContact O-C 3.5Å; E274-R277 WeakPolarHBondContact O-CB 3.05Å; E274-R277 PolarHBondContact O-N 3.43Å; E274-R277 VanDerWaalsContact O-N 3.09Å; E274-E278 WeakPolarHBondContact O-CG 3.47Å; E274-E278 PolarHBondContact O-N 3.01Å
275	E	57.2	Low	63.9	Low	41 Å²	41	92.5 Å²	92.5	19%	0.192	48%	0.478	C	S	.	.	H	α-helix	trans	-58.1	-39.2	171.3	-81.2	-166.6	-176.4	0	0	113	P271 E272 R277 E278 K279 R427	P271-E275 PolarHBondContact O-N 2.86Å; E272-E275 PolarHBondContact O-N 3.41Å; E275-R277 VanDerWaalsContact C-N 3.35Å; E275-E278 PolarHBondContact O-N 3.27Å; E275-K279 VanDerWaalsContact O-CB 3.26Å; E275-K279 WeakPolarHBondContact O-CB 3.37Å; E275-K279 VanDerWaalsContact O-CD 3.32Å; E275-K279 WeakPolarHBondContact O-CD 3.38Å; E275-K279 WeakPolarHBondContact O-CG 3.46Å; E275-K279 PolarHBondContact O-N 2.9Å; E275-K279 IonicContact OE2-NZ 3.47Å; E275-K279 PolarHBondContact OE2-NZ 3.29Å; E275-R427 IonicContact OE1-NH2 2.7Å; E275-R427 PolarHBondContact OE1-NH2 2.75Å; E275-R427 IonicContact OE2-CZ 2.79Å; E275-R427 IonicContact OE2-NH1 2.63Å; E275-R427 IonicContact OE2-NH2 3.11Å; E275-R427 PolarHBondContact OE2-NH2 2.94Å
276	E	56.8	Low	61.5	Low	139 Å²	139	88.8 Å²	88.8	65%	0.65	48%	0.48	S	S	*	.	H	α-helix	trans	-70.8	-31	176.3	-74.9	-164.5	154.4	0	0	112.3	E272 E274 S280	E272-E276 WeakPolarHBondContact O-CG 3.18Å; E272-E276 PolarHBondContact O-N 2.87Å; E274-E276 VanDerWaalsContact C-N 3.31Å; E274-E276 PolarHBondContact O-N 3.07Å; E276-S280 VanDerWaalsContact O-CB 3.29Å; E276-S280 WeakPolarHBondContact O-CB 3.4Å; E276-S280 PolarHBondContact O-N 3.02Å; E276-S280 PolarHBondContact O-OG 2.86Å
277	R	53.6	Low	59.1	Low	179 Å²	179	91 Å²	91	68%	0.675	51%	0.506	S	S	*	.	H	α-helix	trans	-68.9	-43.5	170.1	-77.7	173.7	175.2	-166	1.3	111.3	E273 E274 E275 S280 T281	E273-R277 WeakPolarHBondContact O-CD 3.32Å; E273-R277 VanDerWaalsContact O-CG 3.26Å; E273-R277 WeakPolarHBondContact O-CG 3.34Å; E273-R277 PolarHBondContact O-N 2.69Å; E274-R277 CarbonylContact O-C 3.5Å; E274-R277 WeakPolarHBondContact O-CB 3.05Å; E274-R277 PolarHBondContact O-N 3.43Å; E274-R277 VanDerWaalsContact O-N 3.09Å; E275-R277 VanDerWaalsContact C-N 3.35Å; R277-S280 WeakPolarHBondContact CA-OG 3.49Å; R277-S280 PolarHBondContact O-N 3.4Å; R277-S280 PolarHBondContact O-OG 2.7Å; R277-T281 WeakPolarHBondContact O-CB 3.32Å; R277-T281 WeakPolarHBondContact O-CG2 3.49Å; R277-T281 PolarHBondContact O-N 2.64Å; R277-T281 PolarHBondContact O-OG1 3.49Å
278	E	54.2	Low	56.7	Low	130 Å²	130	98.4 Å²	98.4	61%	0.607	54%	0.54	S	S	*	.	H	α-helix	trans	-67.4	-37.9	176.8	-71.4	-175.1	166.9	0	0	111.8	E274 E275 T281 S282	E274-E278 WeakPolarHBondContact O-CG 3.47Å; E274-E278 PolarHBondContact O-N 3.01Å; E275-E278 PolarHBondContact O-N 3.27Å; E278-T281 WeakPolarHBondContact CA-OG1 3.33Å; E278-T281 PolarHBondContact O-OG1 3.35Å; E278-S282 WeakPolarHBondContact O-CB 3.31Å; E278-S282 PolarHBondContact O-N 2.92Å; E278-S282 PolarHBondContact O-OG 3.35Å
279	K	54.9	Low	54.3	Low	109 Å²	109	98.4 Å²	98.4	47%	0.474	55%	0.545	S	S	.	.	H	α-helix	trans	-67.1	-44.4	172.4	-71.5	161.4	-164	165.7	0	111.7	E275 S282 V283	E275-K279 VanDerWaalsContact O-CB 3.26Å; E275-K279 WeakPolarHBondContact O-CB 3.37Å; E275-K279 VanDerWaalsContact O-CD 3.32Å; E275-K279 WeakPolarHBondContact O-CD 3.38Å; E275-K279 WeakPolarHBondContact O-CG 3.46Å; E275-K279 PolarHBondContact O-N 2.9Å; E275-K279 IonicContact OE2-NZ 3.47Å; E275-K279 PolarHBondContact OE2-NZ 3.29Å; K279-S282 WeakPolarHBondContact CA-OG 3.3Å; K279-S282 PolarHBondContact O-OG 2.84Å; K279-V283 WeakPolarHBondContact O-CB 3.43Å; K279-V283 WeakPolarHBondContact O-CG2 3.26Å; K279-V283 PolarHBondContact O-N 3.38Å
280	S	53	Low	52	Low	64 Å²	64	103.6 Å²	103.6	45%	0.448	57%	0.568	S	S	.	*	H	α-helix	trans	-70.3	-34.3	177.9	53.2	0	0	0	0	113.4	E276 R277 L284	E276-S280 VanDerWaalsContact O-CB 3.29Å; E276-S280 WeakPolarHBondContact O-CB 3.4Å; E276-S280 PolarHBondContact O-N 3.02Å; E276-S280 PolarHBondContact O-OG 2.86Å; R277-S280 WeakPolarHBondContact CA-OG 3.49Å; R277-S280 PolarHBondContact O-N 3.4Å; R277-S280 PolarHBondContact O-OG 2.7Å; S280-L284 WeakPolarHBondContact O-CG 3.48Å; S280-L284 PolarHBondContact O-N 2.86Å
281	T	53.7	Low	50.1	Low	85 Å²	85	111.9 Å²	111.9	52%	0.521	59%	0.589	S	S	.	*	H	α-helix	trans	-76	-35.9	173.6	49.9	0	0	0	0	113.3	R277 E278 L284 A285	R277-T281 WeakPolarHBondContact O-CB 3.32Å; R277-T281 WeakPolarHBondContact O-CG2 3.49Å; R277-T281 PolarHBondContact O-N 2.64Å; R277-T281 PolarHBondContact O-OG1 3.49Å; E278-T281 WeakPolarHBondContact CA-OG1 3.33Å; E278-T281 PolarHBondContact O-OG1 3.35Å; T281-L284 PolarHBondContact O-N 2.96Å; T281-A285 WeakPolarHBondContact O-CB 3.49Å; T281-A285 PolarHBondContact O-N 2.67Å
282	S	53.1	Low	48.6	Very low	68 Å²	68	120.1 Å²	120.1	48%	0.476	61%	0.614	S	S	.	*	H	α-helix	trans	-70.9	-32.4	172.8	57	0	0	0	0	112.8	E278 K279 L284 A285 G286	E278-S282 WeakPolarHBondContact O-CB 3.31Å; E278-S282 PolarHBondContact O-N 2.92Å; E278-S282 PolarHBondContact O-OG 3.35Å; K279-S282 WeakPolarHBondContact CA-OG 3.3Å; K279-S282 PolarHBondContact O-OG 2.84Å; S282-L284 VanDerWaalsContact C-N 3.28Å; S282-L284 PolarHBondContact O-N 3.15Å; S282-A285 PolarHBondContact O-N 3.27Å; S282-G286 PolarHBondContact O-N 2.81Å
283	V	55	Low	47.2	Very low	116 Å²	116	125.6 Å²	125.6	70%	0.703	64%	0.639	S	S	*	*	H	α-helix	trans	-63.8	-32.5	168.4	165.1	0	0	0	0	111.9	K279	K279-V283 WeakPolarHBondContact O-CB 3.43Å; K279-V283 WeakPolarHBondContact O-CG2 3.26Å; K279-V283 PolarHBondContact O-N 3.38Å
284	L	51.5	Low	45.8	Very low	139 Å²	139	128.9 Å²	128.9	73%	0.728	66%	0.655	S	S	*	*	H	α-helix	trans	-76	-35.9	172.2	-70.5	168.1	0	0	0	112.7	S280 T281 S282	S280-L284 WeakPolarHBondContact O-CG 3.48Å; S280-L284 PolarHBondContact O-N 2.86Å; T281-L284 PolarHBondContact O-N 2.96Å; S282-L284 VanDerWaalsContact C-N 3.28Å; S282-L284 PolarHBondContact O-N 3.15Å
285	A	46.5	Very low	44.5	Very low	66 Å²	66	131.9 Å²	131.9	55%	0.545	67%	0.673	S	S	.	*	H	α-helix	trans	-76	-30.2	178.4	0	0	0	0	0	113.6	T281 S282 G287	T281-A285 WeakPolarHBondContact O-CB 3.49Å; T281-A285 PolarHBondContact O-N 2.67Å; S282-A285 PolarHBondContact O-N 3.27Å; A285-G287 PolarHBondContact O-N 3.05Å
286	G	39.1	Very low	43	Very low	51 Å²	51	139.8 Å²	139.8	53%	0.526	71%	0.707	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	-5.9	179.6	0	0	0	0	0	115	S282	S282-G286 PolarHBondContact O-N 2.81Å
287	G	40.1	Very low	41.4	Very low	63 Å²	63	140.4 Å²	140.4	65%	0.649	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-22.2	-178.8	0	0	0	0	0	115.7	A285	A285-G287 PolarHBondContact O-N 3.05Å
288	E	38.5	Very low	40.1	Very low	188 Å²	188	136.5 Å²	136.5	88%	0.879	73%	0.727	S	S	*	*	S	Bend	trans	-119.2	9.8	-165.9	-64.8	-157.7	125.6	0	0	115.7
289	T	35.9	Very low	38.6	Very low	119 Å²	119	138.4 Å²	138.4	73%	0.73	74%	0.741	S	S	*	*	S	Bend	trans	-118.6	7.4	-177.2	49	0	0	0	0	115.9
290	Q	34.3	Very low	37.3	Very low	185 Å²	185	142.5 Å²	142.5	86%	0.864	75%	0.753	S	S	*	*	S	Bend	trans	-121.8	51.8	176.5	-69.3	-166.1	-12.6	0	0	114
291	R	32.3	Very low	36	Very low	251 Å²	251	145.8 Å²	145.8	95%	0.947	76%	0.762	S	S	*	*	S	Bend	trans	-153.2	12.2	165.3	-129.9	175.5	-170.6	-174.5	2.9	117.1
292	R	36	Very low	34.7	Very low	225 Å²	225	153.2 Å²	153.2	85%	0.849	78%	0.78	S	S	*	*	S	Bend	trans	-152.4	51.2	-170.6	-159.1	-167.3	178.5	-123.2	1.4	115.1
293	E	31.3	Very low	33.3	Very low	189 Å²	189	159.5 Å²	159.5	88%	0.883	80%	0.799	S	S	*	*	S	Bend	trans	-170.2	58.6	148.3	-111.8	160.4	-141.1	0	0	114.1
294	E	28.1	Very low	32.6	Very low	193 Å²	193	159.2 Å²	159.2	90%	0.902	80%	0.799	S	S	*	*			trans	-150.4	73.6	168	-143.6	170.7	-117.5	0	0	112.4
295	L	28.9	Very low	31.2	Very low	170 Å²	170	158.5 Å²	158.5	89%	0.89	81%	0.806	S	S	*	*			trans	-170.6	69.4	166.6	-116.1	174.8	0	0	0	112.1
296	K	26.3	Very low	30.2	Very low	206 Å²	206	158.6 Å²	158.6	90%	0.896	81%	0.813	S	S	*	*			trans	-164.5	65.7	167.9	-121.6	164.3	-169.5	174.7	0	118.3
297	T	23.7	Very low	29.5	Very low	153 Å²	153	163.6 Å²	163.6	94%	0.939	82%	0.823	S	S	*	*			trans	-140.8	60.4	158.6	33	0	0	0	0	111.3
298	A	25.4	Very low	28.9	Very low	97 Å²	97	167.6 Å²	167.6	80%	0.802	82%	0.823	S	S	*	*			trans	-142.2	112.7	170.1	0	0	0	0	0	112
299	D	23.1	Very low	28.3	Very low	169 Å²	169	165.2 Å²	165.2	90%	0.904	82%	0.816	S	S	*	*			trans	65.7	168.3	158.3	-134.6	-11.8	0	0	0	121.1
300	R	27	Very low	27.9	Very low	196 Å²	196	168.1 Å²	168.1	74%	0.74	82%	0.818	S	S	*	*			trans	-148	153.7	-149.8	174.2	175.1	168	172.4	-3.3	110.4
301	E	26.8	Very low	27.5	Very low	133 Å²	133	164.2 Å²	164.2	62%	0.621	81%	0.807	S	S	*	*			trans	54.8	100.6	166.8	-74.3	167.1	-138.6	0	0	118.8
302	R	25.5	Very low	27.3	Very low	241 Å²	241	160 Å²	160	91%	0.909	80%	0.798	S	S	*	*				-175.7	147.7	106.5	-95.7	157.8	-169.4	-154.7	1.9	114.5
303	K	23.8	Very low	26.9	Very low	199 Å²	199	156.4 Å²	156.4	87%	0.865	79%	0.789	S	S	*	*			trans	-107.3	176.6	161.2	-75.4	-174.8	176.3	179.5	0	107.6
304	P	39.7	Very low	26.7	Very low	110 Å²	110	154 Å²	154	71%	0.714	78%	0.778	S	S	*	*			cis	-134.9	-170.6	4.1	40.6	-22	0	0	0	115.4
305	S	23.8	Very low	26.6	Very low	124 Å²	124	152 Å²	152	87%	0.867	77%	0.773	S	S	*	*			trans	71.3	149.4	160	69.1	0	0	0	0	118.8
306	G	23.8	Very low	26.4	Very low	68 Å²	68	147.1 Å²	147.1	70%	0.701	76%	0.764	S	S	*	*			cis	173.9	149	-10.5	0	0	0	0	0	115.5
307	E	26	Very low	26.4	Very low	156 Å²	156	144.7 Å²	144.7	73%	0.729	76%	0.761	S	S	*	*			trans	66.4	125.1	159.1	-61.2	-136.4	115.7	0	0	123.3
308	K	26.4	Very low	26.5	Very low	148 Å²	148	142.5 Å²	142.5	64%	0.643	75%	0.752	S	S	*	*			trans	74.6	110.3	131.8	-70.2	170.6	-177.9	149.6	0	123.3
309	N	26	Very low	26.8	Very low	137 Å²	137	142.5 Å²	142.5	73%	0.733	75%	0.752	S	S	*	*				74.5	119.5	118.8	-69.9	-7.7	0	0	0	124.1
310	K	28	Very low	27	Very low	180 Å²	180	141.4 Å²	141.4	78%	0.783	75%	0.752	S	S	*	*				80.1	120.6	122.9	-80.2	-161.9	169.6	-165.6	0	123.4
311	T	25.5	Very low	27	Very low	103 Å²	103	135.8 Å²	135.8	63%	0.632	76%	0.755	S	S	*	*			trans	66.6	122.3	131.5	56.7	0	0	0	0	123.5
312	E	27.1	Very low	27.1	Very low	163 Å²	163	135.4 Å²	135.4	76%	0.762	76%	0.757	S	S	*	*				80.2	116.2	127.8	-69.4	174.5	-159.8	0	0	123
313	K	28.6	Very low	27.5	Very low	150 Å²	150	133.4 Å²	133.4	65%	0.652	75%	0.749	S	S	*	*				75.1	140.9	127.5	-79.2	176	133.7	-119.6	0	123.4
314	E	27	Very low	28	Very low	138 Å²	138	130.7 Å²	130.7	65%	0.645	74%	0.744	S	S	*	*			trans	68.3	150.9	145.3	-74.6	152.4	179.5	0	0	117.2
315	D	25.6	Very low	27.7	Very low	150 Å²	150	129.8 Å²	129.8	80%	0.802	75%	0.746	S	S	*	*			cis	-157.5	164	5	-136.2	-23.3	0	0	0	113.5
316	G	25.2	Very low	28	Very low	69 Å²	69	128.5 Å²	128.5	71%	0.711	74%	0.743	S	S	*	*			trans	64.1	175.1	156.6	0	0	0	0	0	121.5
317	D	25.8	Very low	28.3	Very low	154 Å²	154	130.1 Å²	130.1	82%	0.824	75%	0.75	S	S	*	*			cis	-167.6	170	-25.4	-174.3	34.8	0	0	0	111.7
318	S	26.4	Very low	28.3	Very low	108 Å²	108	130.2 Å²	130.2	76%	0.755	76%	0.755	S	S	*	*			trans	91.1	153.9	152.2	79.9	0	0	0	0	121
319	A	32.3	Very low	28.4	Very low	97 Å²	97	126.5 Å²	126.5	80%	0.802	76%	0.759	S	S	*	*			trans	-152.6	162.3	-165.1	0	0	0	0	0	114.5
320	T	26.5	Very low	28.5	Very low	146 Å²	146	128.9 Å²	128.9	90%	0.896	77%	0.765	S	S	*	*			trans	-165.6	152.1	161.5	38.8	0	0	0	0	107.8
321	G	27	Very low	28.4	Very low	78 Å²	78	126.7 Å²	126.7	80%	0.804	76%	0.762	S	S	*	*			cis	117.5	136.1	13.5	0	0	0	0	0	110.3
322	D	29.9	Very low	28.5	Very low	125 Å²	125	131.6 Å²	131.6	67%	0.668	77%	0.769	S	S	*	*			cis	-165.5	162.2	1.3	-177.2	22.1	0	0	0	109.2
323	R	33.5	Very low	28.4	Very low	199 Å²	199	132.1 Å²	132.1	75%	0.751	77%	0.769	S	S	*	*			trans	71.1	161.2	164.2	-49.3	-162.8	-171	-156.8	-8.3	119.8
324	D	33.2	Very low	28.2	Very low	141 Å²	141	132.8 Å²	132.8	75%	0.754	78%	0.775	S	S	*	*			cis	-166.9	163.5	-17	-105.2	-32.1	0	0	0	105.8
325	A	34.4	Very low	28.1	Very low	92 Å²	92	134.1 Å²	134.1	76%	0.76	78%	0.781	S	S	*	*			cis	-150.7	-151.1	-12.1	0	0	0	0	0	105.5
326	A	29.5	Very low	28.2	Very low	96 Å²	96	131.5 Å²	131.5	79%	0.793	78%	0.78	S	S	*	*			cis	-154.1	-152.5	1.2	0	0	0	0	0	106.4
327	A	30.1	Very low	28.3	Very low	102 Å²	102	137.3 Å²	137.3	84%	0.843	79%	0.789	S	S	*	*			cis	-156.3	-149.4	2.9	0	0	0	0	0	109.7
328	D	27.2	Very low	28.2	Very low	159 Å²	159	137.9 Å²	137.9	85%	0.85	78%	0.784	S	S	*	*			trans	-147.7	164.9	-178.2	-173.8	23.7	0	0	0	112.9
329	G	27.4	Very low	28.2	Very low	69 Å²	69	139.7 Å²	139.7	71%	0.711	78%	0.78	S	S	*	*			trans	163.4	136.2	170.3	0	0	0	0	0	117
330	Q	27.7	Very low	27.8	Very low	187 Å²	187	139.5 Å²	139.5	87%	0.874	77%	0.773	S	S	*	*			trans	-126.8	173.1	-178.9	-65.6	-174.3	-1.3	0	0	114.3
331	D	27.7	Very low	27.8	Very low	134 Å²	134	138.7 Å²	138.7	72%	0.717	77%	0.767	S	S	*	*			trans	111	171.1	138.2	-141.4	-1.5	0	0	0	119.7
332	R	26.1	Very low	27.8	Very low	206 Å²	206	144.9 Å²	144.9	78%	0.777	77%	0.767	S	S	*	*			trans	-104.1	158.2	-151.2	-59.4	148.1	163.5	154.7	-13.6	116.4
333	K	25.4	Very low	27.6	Very low	174 Å²	174	146.3 Å²	146.3	76%	0.757	77%	0.769	S	S	*	*				-170.3	141.8	122.6	-101.7	-176.7	172.8	-147.3	0	108.5	E335	K333-E335 IonicContact NZ-OE1 3.78Å
334	Q	24.7	Very low	27.1	Very low	165 Å²	165	146.1 Å²	146.1	77%	0.771	78%	0.777	S	S	*	*			cis	72.7	106.3	34.4	-75.2	-165.7	-22.5	0	0	116.7
335	E	25.7	Very low	27	Very low	166 Å²	166	147.7 Å²	147.7	78%	0.776	78%	0.782	S	S	*	*				-167.1	123	118.3	-97.6	155	-141.2	0	0	107.2	K333	K333-E335 IonicContact NZ-OE1 3.78Å
336	A	25.9	Very low	27.7	Very low	95 Å²	95	148.4 Å²	148.4	79%	0.785	78%	0.779	S	S	*	*				90.5	140.3	96.2	0	0	0	0	0	112.2
337	E	27.3	Very low	27.6	Very low	191 Å²	191	152.1 Å²	152.1	89%	0.893	78%	0.78	S	S	*	*			cis	-129.4	175.4	12.7	-68.6	-175.2	120.5	0	0	114.3
338	K	25.3	Very low	28	Very low	165 Å²	165	151.2 Å²	151.2	72%	0.717	77%	0.765	S	S	*	*			trans	-91.4	174.6	168.6	-66.5	160.7	134.2	-73	0	109.4
339	E	25.5	Very low	28	Very low	146 Å²	146	152.6 Å²	152.6	68%	0.682	76%	0.764	S	S	*	*			cis	-142.6	-135	4.3	-154.6	90.1	-91.3	0	0	106.7
340	S	24.7	Very low	27.9	Very low	94 Å²	94	159.7 Å²	159.7	66%	0.657	78%	0.775	S	S	*	*			cis	-165.5	143.7	-13.1	39.3	0	0	0	0	110.8
341	V	26.3	Very low	27.8	Very low	128 Å²	128	155.5 Å²	155.5	78%	0.776	77%	0.772	S	S	*	*			trans	55.9	106.1	139.8	-179.2	0	0	0	0	120.9
342	R	25.7	Very low	27.8	Very low	209 Å²	209	159.3 Å²	159.3	79%	0.789	78%	0.776	S	S	*	*				27.9	151.2	117.1	-65.2	176.5	172.3	-175.1	1.4	120.6
343	E	25.9	Very low	27.9	Very low	155 Å²	155	159.1 Å²	159.1	72%	0.724	78%	0.776	S	S	*	*			cis	-166.7	-178.4	-6.6	-114.3	166.2	148.6	0	0	109.9
344	E	23.7	Very low	28	Very low	195 Å²	195	160.3 Å²	160.3	91%	0.911	78%	0.781	S	S	*	*			trans	73.5	173.7	163.2	-70.1	-172.7	143.1	0	0	121.2
345	M	30.5	Very low	28.2	Very low	174 Å²	174	164.2 Å²	164.2	86%	0.857	79%	0.789	S	S	*	*			trans	-137.9	-178.6	-159.6	-63.1	170	56.5	0	0	110.8
346	P	49.3	Very low	28.3	Very low	107 Å²	107	164.8 Å²	164.8	70%	0.695	79%	0.789	S	S	*	*			cis	-128.6	-170.4	-27.7	25.4	-1.9	0	0	0	113.9
347	E	26.8	Very low	28.4	Very low	173 Å²	173	171 Å²	171	81%	0.808	79%	0.792	S	S	*	*			trans	71.2	162.7	161.9	-87.9	-149.9	-155.8	0	0	119.6
348	P	40.3	Very low	28.4	Very low	83 Å²	83	166.6 Å²	166.6	54%	0.539	78%	0.782	S	S	.	*			cis	-144.4	-175.3	-33.5	39.9	-22.2	0	0	0	116.8
349	K	25.6	Very low	28.4	Very low	188 Å²	188	162.1 Å²	162.1	82%	0.817	78%	0.783	S	S	*	*			trans	71.1	127.8	154.2	-71.4	159.8	-169.7	159	0	121.7
350	K	25.8	Very low	28.4	Very low	218 Å²	218	163 Å²	163	95%	0.948	79%	0.792	S	S	*	*			trans	-161	161.4	131.4	-109	158.1	-170.6	167.2	0	111.5
351	A	26.4	Very low	28.6	Very low	99 Å²	99	162.5 Å²	162.5	82%	0.818	79%	0.789	S	S	*	*			trans	-154.7	155.1	-165.5	0	0	0	0	0	115.8
352	R	26.7	Very low	28.7	Very low	214 Å²	214	163.2 Å²	163.2	81%	0.808	79%	0.788	S	S	*	*			trans	-173.5	146.3	165.4	-103.7	177	172.8	-158.5	-0.2	108.4
353	R	27.5	Very low	28.8	Very low	202 Å²	202	160.3 Å²	160.3	76%	0.762	79%	0.789	S	S	*	*			cis	-166.2	124.2	-7.9	-146.3	180	-166.9	-168.9	1.4	111.6
354	K	28.8	Very low	29	Very low	199 Å²	199	160.3 Å²	160.3	87%	0.865	79%	0.789	S	S	*	*			trans	32.1	146.1	149.8	-57.7	-175.6	175.8	-172.8	0	121.4
355	R	28.3	Very low	29.1	Very low	247 Å²	247	155.9 Å²	155.9	93%	0.932	79%	0.785	S	S	*	*			cis	-110.2	-160	0.8	-61.4	167.8	163.2	140.5	-9	108.7
356	K	28.2	Very low	29.2	Very low	179 Å²	179	153 Å²	153	78%	0.778	78%	0.782	S	S	*	*			cis	-151.8	158.1	-12.4	-147	-161.7	149	-120.5	0	103.2
357	R	27.8	Very low	28.2	Very low	224 Å²	224	152.5 Å²	152.5	85%	0.845	79%	0.787	S	S	*	*			cis	66.2	136.5	28.5	-79.4	-166	172	-155.8	-3.7	116.3
358	S	27.2	Very low	28.4	Very low	99 Å²	99	149 Å²	149	69%	0.692	78%	0.782	S	S	*	*			cis	-139.7	152.6	-10.3	40	0	0	0	0	106.1
359	G	26	Very low	27.9	Very low	72 Å²	72	153.6 Å²	153.6	74%	0.742	80%	0.796	S	S	*	*				77	141.8	70.9	0	0	0	0	0	109.7
360	D	25.5	Very low	28	Very low	163 Å²	163	149.2 Å²	149.2	87%	0.872	79%	0.789	S	S	*	*			cis	-168.6	-178.8	9.5	-162.6	4.4	0	0	0	108.8
361	S	28.8	Very low	28.4	Very low	84 Å²	84	147.4 Å²	147.4	59%	0.587	78%	0.784	S	S	*	*			trans	70.1	109.2	154.9	-166.1	0	0	0	0	120.7
362	D	27.7	Very low	28.4	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	78%	0.783	S	S	*	*				67.6	164.9	123.2	-52	-53.7	0	0	0	125.8
363	D	28.6	Very low	28.7	Very low	148 Å²	148	145 Å²	145	79%	0.791	78%	0.782	S	S	*	*			trans	74.2	108.6	162.9	-77.9	-39.5	0	0	0	123.6
364	E	29.6	Very low	28.7	Very low	156 Å²	156	141.1 Å²	141.1	73%	0.729	79%	0.786	S	S	*	*				30.1	114.6	120.1	-67	-79.6	175	0	0	120.1
365	A	25.8	Very low	29	Very low	101 Å²	101	141.1 Å²	141.1	84%	0.835	79%	0.789	S	S	*	*			trans	-159.7	145.5	132	0	0	0	0	0	111.7
366	S	32.7	Very low	29.1	Very low	113 Å²	113	135 Å²	135	79%	0.79	79%	0.785	S	S	*	*			trans	-96.7	144.3	169	-60.6	0	0	0	0	111.1
367	A	28.1	Very low	29.1	Very low	98 Å²	98	133.2 Å²	133.2	81%	0.81	78%	0.784	S	S	*	*			trans	-142	150	155.4	0	0	0	0	0	108.1
368	S	31.3	Very low	29.1	Very low	99 Å²	99	128.5 Å²	128.5	69%	0.692	79%	0.785	S	S	*	*			trans	-149.9	114.4	-165.6	56.2	0	0	0	0	112
369	E	28.7	Very low	29.2	Very low	179 Å²	179	131.6 Å²	131.6	84%	0.836	79%	0.794	S	S	*	*			trans	-140.7	149.2	164.4	-29.3	-70.5	151.9	0	0	106
370	S	29.4	Very low	29.4	Very low	97 Å²	97	134 Å²	134	68%	0.678	80%	0.799	S	S	*	*			cis	161.8	135.2	-23	-90.5	0	0	0	0	104.7
371	E	32.6	Very low	29.4	Very low	180 Å²	180	132.8 Å²	132.8	84%	0.841	79%	0.793	S	S	*	*			trans	-15.4	145	169.8	-35.9	-53.3	103.2	0	0	119.6
372	S	27.1	Very low	29.3	Very low	113 Å²	113	135 Å²	135	79%	0.79	81%	0.807	S	S	*	*				168.4	139	110.9	-169.3	0	0	0	0	113.1
373	D	33.5	Very low	29.4	Very low	149 Å²	149	132.9 Å²	132.9	80%	0.797	80%	0.803	S	S	*	*			trans	-71.1	160	158.9	-51.9	-85.3	0	0	0	112
374	S	28.1	Very low	29.3	Very low	121 Å²	121	132.9 Å²	132.9	85%	0.846	80%	0.803	S	S	*	*			trans	-177.3	141.7	139.5	-80.6	0	0	0	0	111.8
375	E	34.8	Very low	29.1	Very low	198 Å²	198	133.3 Å²	133.3	93%	0.925	80%	0.802	S	S	*	*			trans	-94.3	156.1	166.3	-54.7	-164.5	153.1	0	0	111.2
376	S	29.6	Very low	29.5	Very low	120 Å²	120	134.5 Å²	134.5	84%	0.839	80%	0.801	S	S	*	*			trans	-177.1	144	145.1	-172.4	0	0	0	0	111.1
377	D	27.6	Very low	29.3	Very low	141 Å²	141	136.7 Å²	136.7	75%	0.754	80%	0.799	S	S	*	*			trans	-68.7	158.7	174.1	-54.2	-93.1	0	0	0	114.1
378	S	28.6	Very low	29.1	Very low	124 Å²	124	141.3 Å²	141.3	87%	0.867	80%	0.801	S	S	*	*			trans	-162.2	144.6	130.8	-85.4	0	0	0	0	113
379	N	29.3	Very low	28.7	Very low	165 Å²	165	144.1 Å²	144.1	88%	0.882	80%	0.801	S	S	*	*			trans	-80.8	157.5	-173.2	-61.2	-83.3	0	0	0	113.6
380	S	29.5	Very low	28.4	Very low	121 Å²	121	141.9 Å²	141.9	85%	0.846	79%	0.791	S	S	*	*			trans	-132.9	122	151.8	65.3	0	0	0	0	110.1
381	D	27	Very low	28.1	Very low	139 Å²	139	145.3 Å²	145.3	74%	0.743	80%	0.796	S	S	*	*			trans	-79	149.4	-171.7	-157	-29.2	0	0	0	113
382	C	26	Very low	27.7	Very low	131 Å²	131	142.2 Å²	142.2	89%	0.885	79%	0.789	S	S	*	*			trans	-175	115	133.6	-95.1	0	0	0	0	113.1
383	S	30.2	Very low	27.6	Very low	97 Å²	97	144.4 Å²	144.4	68%	0.678	79%	0.787	S	S	*	*			trans	-57.2	172.3	171.8	-12.4	0	0	0	0	114.9
384	D	25.8	Very low	27	Very low	149 Å²	149	143.2 Å²	143.2	80%	0.797	78%	0.78	S	S	*	*			cis	-161.1	-173.8	-3.9	-142.1	-42.4	0	0	0	112.2
385	K	25.9	Very low	27	Very low	164 Å²	164	144.5 Å²	144.5	71%	0.713	77%	0.771	S	S	*	*			trans	-64.9	176.8	173	-105.9	174.5	-176.2	171.8	0	115
386	P	34.4	Very low	26.5	Very low	126 Å²	126	140.4 Å²	140.4	82%	0.818	76%	0.755	S	S	*	*			cis	-147.6	-159.1	40.4	42.6	-19	0	0	0	118.1
387	Q	28.1	Very low	26.5	Very low	160 Å²	160	141.3 Å²	141.3	75%	0.748	75%	0.75	S	S	*	*			trans	-120.2	153.6	-170.7	-46.4	158.1	-87.5	0	0	112.6
388	K	23.4	Very low	26.6	Very low	194 Å²	194	143 Å²	143	84%	0.843	75%	0.754	S	S	*	*				168	158.2	122.3	-98.3	-176.8	176	-175.6	0	117
389	K	22.8	Very low	26.5	Very low	159 Å²	159	146.1 Å²	146.1	69%	0.691	76%	0.755	S	S	*	*			trans	-13.4	160.3	141	-75.9	166.8	162.1	-110.3	0	118.1
390	E	23.7	Very low	26.4	Very low	132 Å²	132	146.8 Å²	146.8	62%	0.617	75%	0.753	S	S	*	*			cis	-164.7	163.6	14.2	-122.8	147.5	-179.4	0	0	113.5
391	E	23	Very low	26.3	Very low	168 Å²	168	149.8 Å²	149.8	79%	0.785	75%	0.753	S	S	*	*			trans	51.6	125.2	146	-74.3	174.9	-171.4	0	0	127.7
392	V	23.6	Very low	26.2	Very low	116 Å²	116	146.6 Å²	146.6	70%	0.703	75%	0.753	S	S	*	*				75.7	128.2	121.7	175.4	0	0	0	0	124.7
393	Q	24.3	Very low	26.2	Very low	158 Å²	158	149.7 Å²	149.7	74%	0.738	75%	0.754	S	S	*	*			trans	53.9	150.9	157.9	-79.2	179	-102.1	0	0	120.4
394	D	22.5	Very low	25.8	Very low	125 Å²	125	152.3 Å²	152.3	67%	0.668	76%	0.756	S	S	*	*			cis	-139.1	151.8	29.5	-100.4	-33.6	0	0	0	111.5
395	K	27	Very low	25.8	Very low	148 Å²	148	151 Å²	151	64%	0.643	75%	0.749	S	S	*	*				62.6	132.3	79.6	-70.8	-164.9	132.6	-67.7	0	115.2
396	D	25.4	Very low	26.1	Very low	111 Å²	111	149.2 Å²	149.2	59%	0.594	74%	0.741	S	S	*	*			cis	-147.2	-161.7	-6.8	-72.5	-48.3	0	0	0	108
397	D	28.9	Very low	26.2	Very low	139 Å²	139	148.9 Å²	148.9	74%	0.743	74%	0.739	S	S	*	*			cis	-162.9	-173.8	4	-140.9	-39.7	0	0	0	111.5
398	E	28.7	Very low	26.2	Very low	176 Å²	176	150.4 Å²	150.4	82%	0.822	74%	0.743	S	S	*	*			trans	70.5	137.5	166.7	-68.6	173.9	-170.3	0	0	118.4
399	E	26.7	Very low	26.3	Very low	190 Å²	190	150.5 Å²	150.5	89%	0.888	75%	0.747	S	S	*	*			cis	-127.6	167.7	9.9	-65.5	-178.7	124.4	0	0	114.5
400	E	27.4	Very low	26.3	Very low	180 Å²	180	149.3 Å²	149.3	84%	0.841	75%	0.753	S	S	*	*			trans	-84.5	178.2	176.3	-55.9	176.7	140.1	0	0	113
401	E	27.1	Very low	26.2	Very low	184 Å²	184	148.6 Å²	148.6	86%	0.86	76%	0.762	S	S	*	*			cis	-161.2	174.9	-17	-125.7	-163.1	-179	0	0	111.6
402	G	25.2	Very low	26.4	Very low	71 Å²	71	149 Å²	149	73%	0.732	76%	0.764	S	S	*	*			trans	118.3	130.7	152	0	0	0	0	0	116.8
403	E	25.3	Very low	26.6	Very low	196 Å²	196	151.4 Å²	151.4	92%	0.916	77%	0.768	S	S	*	*			cis	-159.9	147.5	1.9	-156.2	179.2	-159.3	0	0	110.7
404	E	23.5	Very low	26.9	Very low	153 Å²	153	153.3 Å²	153.3	72%	0.715	78%	0.777	S	S	*	*			trans	-159	173.7	171.7	-102.9	-113.1	84.4	0	0	108	K406	E404-K406 IonicContact OE1-NZ 3.11Å; E404-K406 PolarHBondContact OE1-NZ 3.08Å; E404-K406 IonicContact OE2-NZ 3.3Å; E404-K406 PolarHBondContact OE2-NZ 3.47Å
405	D	25.2	Very low	27.3	Very low	120 Å²	120	156.3 Å²	156.3	64%	0.642	78%	0.784	S	S	*	*			cis	-127	-175.7	21.5	179.6	38.7	0	0	0	112.7
406	K	32.1	Very low	27.3	Very low	127 Å²	127	157.4 Å²	157.4	55%	0.552	79%	0.789	S	S	*	*			trans	-62	-173	173	-54.2	141	-155.2	65.9	0	112.4	E404	E404-K406 IonicContact OE1-NZ 3.11Å; E404-K406 PolarHBondContact OE1-NZ 3.08Å; E404-K406 IonicContact OE2-NZ 3.3Å; E404-K406 PolarHBondContact OE2-NZ 3.47Å
407	P	36.5	Very low	27.5	Very low	120 Å²	120	159.6 Å²	159.6	78%	0.779	80%	0.795	S	S	*	*				-144.4	140	90.7	35.6	-19.4	0	0	0	116.8
408	K	28.3	Very low	27.6	Very low	192 Å²	192	160.1 Å²	160.1	84%	0.835	79%	0.793	S	S	*	*			trans	20	133.3	142.2	-58	171.6	-177.3	171	0	120.3
409	E	24.3	Very low	27.8	Very low	196 Å²	196	160.1 Å²	160.1	92%	0.916	79%	0.79	S	S	*	*				-148.1	175	111.1	-133.6	170.6	-143.2	0	0	111.4
410	T	23.6	Very low	28.1	Very low	133 Å²	133	159.9 Å²	159.9	82%	0.816	79%	0.787	S	S	*	*			trans	-131.3	141.5	-161.4	51.3	0	0	0	0	114.3
411	S	21.9	Very low	28.6	Very low	117 Å²	117	157.3 Å²	157.3	82%	0.818	79%	0.785	S	S	*	*			trans	-150.2	148.3	150.1	67.7	0	0	0	0	111.7
412	E	26.5	Very low	29.2	Very low	177 Å²	177	157.6 Å²	157.6	83%	0.827	78%	0.784	S	S	*	*			trans	-66.9	175.5	165.1	-58.3	134.4	145.9	0	0	109.4
413	E	28.6	Very low	29.9	Very low	166 Å²	166	159.7 Å²	159.7	78%	0.776	78%	0.778	S	S	*	*			cis	-162.2	136.6	19.5	-167.5	-175.8	-121.7	0	0	108.9
414	E	30.3	Very low	31.1	Very low	199 Å²	199	157.7 Å²	157.7	93%	0.93	77%	0.774	S	S	*	*			trans	-157.1	160.5	155.7	-129.3	173.1	-141.2	0	0	113.6
415	K	30	Very low	33	Very low	187 Å²	187	152.2 Å²	152.2	81%	0.813	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-95.3	138.9	-154.1	-69.2	167.2	-176.7	162.6	0	114.3	E417	K415-E417 PolarHBondContact O-N 3.3Å
416	K	27.8	Very low	35.4	Very low	172 Å²	172	151.7 Å²	151.7	75%	0.748	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-60.3	119.9	162.1	-78.7	-177.7	161.9	-163.7	0	111	E418	K416-E418 HydrophobicContact CB-CG 4.44Å; K416-E418 HydrophobicContact CD-CG 4.18Å; K416-E418 IonicContact NZ-OE1 3.63Å; K416-E418 PolarHBondContact NZ-OE1 2.91Å
417	E	29.8	Very low	37.7	Very low	157 Å²	157	151 Å²	151	73%	0.734	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-97.4	116.3	138.7	-77.9	-162.7	148.5	0	0	108.3	K415 K419	K415-E417 PolarHBondContact O-N 3.3Å; E417-K419 PolarHBondContact O-N 2.83Å
418	E	30.6	Very low	40.2	Very low	149 Å²	149	145.6 Å²	145.6	70%	0.696	71%	0.714	S	S	*	*			trans	-77.6	78.2	175.2	-66.1	-168.4	161.8	0	0	110.6	K416 K420	K416-E418 HydrophobicContact CB-CG 4.44Å; K416-E418 HydrophobicContact CD-CG 4.18Å; K416-E418 IonicContact NZ-OE1 3.63Å; K416-E418 PolarHBondContact NZ-OE1 2.91Å; E418-K420 PolarHBondContact O-N 2.78Å
419	K	32.6	Very low	43.1	Very low	176 Å²	176	142 Å²	142	77%	0.765	70%	0.695	S	S	*	*			trans	-61.2	99.6	162.9	-76.2	173.2	-177.8	160.7	0	108.2	E417	E417-K419 PolarHBondContact O-N 2.83Å
420	K	33.4	Very low	46.2	Very low	186 Å²	186	134 Å²	134	81%	0.809	66%	0.66	S	S	*	*			trans	-45.6	137.8	166	-68	-177.8	177.6	-179.5	0	108.6	E418 K422	E418-K420 PolarHBondContact O-N 2.78Å; K420-K422 PolarHBondContact O-N 2.95Å
421	P	38.5	Very low	49.5	Very low	125 Å²	125	129.1 Å²	129.1	81%	0.812	63%	0.629	S	S	*	*			trans	-56.3	134.1	177.3	24.6	-33.6	0	0	0	109	D423	P421-D423 PolarHBondContact O-N 3.1Å
422	K	40.4	Very low	52.8	Low	190 Å²	190	124.7 Å²	124.7	83%	0.826	60%	0.595	S	S	*	*			trans	-68.9	105.3	165.4	-76.2	-173	174	-173.8	0	106.9	K420 D424	K420-K422 PolarHBondContact O-N 2.95Å; K422-D424 PolarHBondContact O-N 3.42Å
423	D	39.2	Very low	55.9	Low	115 Å²	115	119.4 Å²	119.4	62%	0.615	57%	0.57	S	S	*	*			trans	-68.9	104.1	164.5	-179.8	26.6	0	0	0	107.1	P421 S425	P421-D423 PolarHBondContact O-N 3.1Å; D423-S425 PolarHBondContact O-N 3.13Å; D423-S425 WeakPolarHBondContact OD1-CB 3.33Å; D423-S425 PolarHBondContact OD1-N 3.36Å; D423-S425 PolarHBondContact OD1-OG 2.97Å; D423-S425 WeakPolarHBondContact OD2-CB 3.4Å; D423-S425 PolarHBondContact OD2-OG 3.18Å
424	D	49.8	Very low	59	Low	155 Å²	155	112 Å²	112	83%	0.829	54%	0.536	S	S	*	.			trans	-73.1	24.1	174.9	-77	-36.9	0	0	0	112	K422	K422-D424 PolarHBondContact O-N 3.42Å
425	S	62.7	Low	62.1	Low	38 Å²	38	104.7 Å²	104.7	27%	0.266	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-67.2	135.9	169.6	72.4	0	0	0	0	110.4	H262 D423 R427	H262-S425 VanDerWaalsContact NE2-CB 3.26Å; H262-S425 WeakPolarHBondContact NE2-CB 3.26Å; H262-S425 PolarHBondContact NE2-OG 3.5Å; D423-S425 PolarHBondContact O-N 3.13Å; D423-S425 WeakPolarHBondContact OD1-CB 3.33Å; D423-S425 PolarHBondContact OD1-N 3.36Å; D423-S425 PolarHBondContact OD1-OG 2.97Å; D423-S425 WeakPolarHBondContact OD2-CB 3.4Å; D423-S425 PolarHBondContact OD2-OG 3.18Å; S425-R427 PolarHBondContact O-N 2.83Å
426	P	75.6	Confident	65.2	Low	108 Å²	108	96 Å²	96	70%	0.701	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-65.6	136.1	-176.1	26.7	-34.4	0	0	0	110.4
427	R	81.3	Confident	68.4	Low	114 Å²	114	87.8 Å²	87.8	43%	0.43	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-50.2	134.5	-177.3	-165.5	-178.4	-156.5	168.6	19.7	111	E272 E275 S425	E272-R427 IonicContact OE1-CZ 3.17Å; E272-R427 IonicContact OE1-NE 2.72Å; E272-R427 IonicContact OE1-NH1 2.72Å; E272-R427 PolarHBondContact OE1-NH1 3.45Å; E275-R427 IonicContact OE1-NH2 2.7Å; E275-R427 PolarHBondContact OE1-NH2 2.75Å; E275-R427 IonicContact OE2-CZ 2.79Å; E275-R427 IonicContact OE2-NH1 2.63Å; E275-R427 IonicContact OE2-NH2 3.11Å; E275-R427 PolarHBondContact OE2-NH2 2.94Å; S425-R427 PolarHBondContact O-N 2.83Å
428	P	88.8	Confident	71.6	Confident	5 Å²	5	83 Å²	83	3%	0.032	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-59.2	146.2	179.2	24.8	-35.6	0	0	0	111.7	H262 R265 I266 M269	H262-P428 WeakPolarHBondContact O-CB 3.46Å; R265-P428 HydrophobicContact CB-CG 4.45Å; I266-P428 HydrophobicContact CB-CB 4.15Å; I266-P428 HydrophobicContact CB-CG 4.05Å; I266-P428 VanDerWaalsContact CD1-O 3.28Å; I266-P428 WeakPolarHBondContact CD1-O 3.48Å; M269-P428 HydrophobicContact CE-CG 3.66Å; M269-P428 HydrophobicContact SD-CG 3.75Å
429	R	88.8	Confident	74.7	Confident	117 Å²	117	76 Å²	76	44%	0.442	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-89	133.7	-170.9	-59.6	169	-66.1	158.9	2.5	111.5	D263 L431	D263-R429 VanDerWaalsContact OD1-CB 3.29Å; D263-R429 WeakPolarHBondContact OD1-CB 3.48Å; D263-R429 WeakPolarHBondContact OD1-CG 3.36Å; D263-R429 IonicContact OD1-CZ 3.61Å; D263-R429 PolarHBondContact OD1-N 2.63Å; D263-R429 IonicContact OD1-NE 3.79Å; D263-R429 PolarHBondContact OD1-NE 3.16Å; D263-R429 IonicContact OD1-NH2 3.43Å; D263-R429 IonicContact OD2-CZ 2.81Å; D263-R429 IonicContact OD2-NE 2.69Å; D263-R429 IonicContact OD2-NH2 2.66Å; D263-R429 PolarHBondContact OD2-NH2 2.66Å; R429-L431 HydrophobicContact CB-CD2 3.92Å; R429-L431 HydrophobicContact CB-CG 4Å; R429-L431 PolarHBondContact O-N 2.65Å
430	P	90.7	Very high	77.5	Confident	28 Å²	28	75.8 Å²	75.8	18%	0.182	37%	0.367	C	S	.	.			trans	-78.1	50.8	-178.1	32.5	-36.6	0	0	0	113.3	I266 H432 K433	I266-P430 HydrophobicContact CD1-CB 3.75Å; I266-P430 HydrophobicContact CD1-CG 4.38Å; P430-H432 PolarHBondContact O-N 2.83Å; P430-K433 HydrophobicContact CB-CD 4.48Å; P430-K433 PolarHBondContact O-N 3.29Å
431	L	91.8	Very high	80.3	Confident	31 Å²	31	69.5 Å²	69.5	16%	0.162	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-20	-172	-56.8	179.9	0	0	0	114.7	I254 E257 R429 K433	I254-L431 HydrophobicContact CG1-CB 4.3Å; I254-L431 HydrophobicContact CG2-CD1 4.5Å; E257-L431 HydrophobicContact CB-CB 4.1Å; E257-L431 HydrophobicContact CB-CD1 4.26Å; R429-L431 HydrophobicContact CB-CD2 3.92Å; R429-L431 HydrophobicContact CB-CG 4Å; R429-L431 PolarHBondContact O-N 2.65Å; L431-K433 VanDerWaalsContact C-N 3.25Å; L431-K433 PolarHBondContact O-N 2.8Å
432	H	90.9	Very high	82.9	Confident	24 Å²	24	63.5 Å²	63.5	11%	0.111	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-12.4	172.8	62.7	-78	0	0	0	114	D250 V253 I254 P430	D250-H432 HydrophobicContact CB-CB 3.73Å; D250-H432 IonicContact OD2-CD2 3.72Å; V253-H432 HydrophobicContact CB-CB 4.24Å; V253-H432 HydrophobicContact CG1-CB 4.31Å; I254-H432 HydrophobicContact CG1-CB 4.09Å; P430-H432 PolarHBondContact O-N 2.83Å
433	K	91.4	Very high	85.3	Confident	65 Å²	65	55.1 Å²	55.1	28%	0.283	27%	0.273	S	S	.	.			trans	-109.9	123.6	176.9	-68.2	169.2	-177.3	166.9	0	109.3	P430 L431 R485	P430-K433 HydrophobicContact CB-CD 4.48Å; P430-K433 PolarHBondContact O-N 3.29Å; L431-K433 VanDerWaalsContact C-N 3.25Å; L431-K433 PolarHBondContact O-N 2.8Å; K433-R485 HydrophobicContact CB-CB 4.41Å; K433-R485 HydrophobicContact CB-CG 4.13Å
434	T	93.9	Very high	87.7	Confident	11 Å²	11	50.3 Å²	50.3	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	168.2	171.1	59.2	0	0	0	0	110	L462 T482 F483 R485 P650	T434-L462 HydrophobicContact CG2-CD1 4.15Å; T434-T482 HydrophobicContact CG2-CG2 3.85Å; T434-F483 WeakPolarHBondContact CB-O 3.31Å; T434-R485 PolarHBondContact O-NH1 3.01Å; T434-R485 VanDerWaalsContact O-NH1 3.16Å; T434-P650 PolarHBondContact OG1-O 2.79Å
435	F	95.2	Very high	89.5	Confident	46 Å²	46	45.5 Å²	45.5	20%	0.202	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	157.9	158.3	-80.6	-47.7	0	0	0	109.5	F483 R485 V487 I489	F435-F483 PolarHBondContact N-O 3.43Å; F435-F483 PolarHBondContact O-N 2.83Å; F435-F483 VanDerWaalsContact O-O 3.09Å; F435-R485 VanDerWaalsContact CE1-CZ 3.47Å; F435-R485 VanDerWaalsContact CE1-NH1 3.34Å; F435-R485 HydrophobicContact CE2-CG 4.43Å; F435-R485 VanDerWaalsContact CE2-O 3.23Å; F435-R485 WeakPolarHBondContact CE2-O 3.37Å; F435-V487 WeakPolarHBondContact CD2-O 3.28Å; F435-V487 WeakPolarHBondContact CE2-O 3.43Å; F435-I489 HydrophobicContact CB-CB 3.92Å; F435-I489 HydrophobicContact CB-CD1 4.01Å; F435-I489 HydrophobicContact CB-CG1 3.9Å; F435-I489 HydrophobicContact CB-CG2 4.37Å; F435-I489 HydrophobicContact CD1-CG2 4.03Å; F435-I489 HydrophobicContact CD2-CB 4.15Å; F435-I489 HydrophobicContact CD2-CG2 4.23Å; F435-I489 HydrophobicContact CE1-CG2 4.36Å; F435-I489 HydrophobicContact CG-CB 3.97Å; F435-I489 HydrophobicContact CG-CG1 4.43Å; F435-I489 HydrophobicContact CG-CG2 3.98Å
436	S	95.4	Very high	90.9	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.5	174.1	46.8	0	0	0	0	114.3	V481 N511 P650	S436-V481 CarbonylContact C-O 3.59Å; S436-V481 WeakPolarHBondContact CA-O 3.41Å; S436-V481 VanDerWaalsContact CB-O 3.27Å; S436-V481 WeakPolarHBondContact CB-O 3.46Å; S436-N511 VanDerWaalsContact O-CB 3.3Å; S436-N511 WeakPolarHBondContact O-CB 3.5Å; S436-N511 PolarHBondContact O-N 2.98Å; S436-N511 WeakPolarHBondContact OG-CB 3.43Å; S436-N511 PolarHBondContact OG-ND2 3.33Å; S436-P650 VanDerWaalsContact CB-CG 3.45Å; S436-P650 WeakPolarHBondContact OG-CB 3.34Å; S436-P650 WeakPolarHBondContact OG-CG 3.44Å
437	L	96.4	Very high	91.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	149.4	166.2	-56.8	-177.8	0	0	0	109.7	W480 V481 F483 I489 I492 C493 L496 P508 G509 V510	L437-W480 VanDerWaalsContact O-CA 3.29Å; L437-W480 WeakPolarHBondContact O-CA 3.28Å; L437-V481 HydrophobicContact CB-CB 4.41Å; L437-V481 PolarHBondContact N-O 2.69Å; L437-V481 PolarHBondContact O-N 3.09Å; L437-F483 HydrophobicContact CD1-CE2 4.15Å; L437-F483 HydrophobicContact CG-CE2 4.19Å; L437-I489 HydrophobicContact CD2-CD1 3.63Å; L437-I489 HydrophobicContact CD2-CG1 3.68Å; L437-I489 HydrophobicContact CG-CD1 3.8Å; L437-I489 HydrophobicContact CG-CG1 4.4Å; L437-I492 HydrophobicContact CD1-CG2 4.1Å; L437-C493 HydrophobicContact CD2-CB 3.64Å; L437-L496 HydrophobicContact CD1-CD1 3.54Å; L437-P508 HydrophobicContact CB-CB 4.43Å; L437-P508 HydrophobicContact CD1-CB 4.32Å; L437-G509 CarbonylContact C-O 3.6Å; L437-G509 WeakPolarHBondContact CA-O 3.48Å; L437-V510 HydrophobicContact CD2-CG2 4.14Å
438	F	96.7	Very high	92.1	Very high	58 Å²	58	36.5 Å²	36.5	25%	0.254	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.3	174.3	169.2	-107.3	0	0	0	109.8	R440 R478 C479 W480 P508 G509 N511	F438-R440 HydrophobicContact CE1-CB 4.06Å; F438-R440 HydrophobicContact CE1-CG 4.21Å; F438-R440 HydrophobicContact CZ-CB 4.36Å; F438-R440 HydrophobicContact CZ-CG 4.34Å; F438-R478 HydrophobicContact CE2-CB 4.01Å; F438-R478 HydrophobicContact CE2-CG 4.35Å; F438-C479 WeakPolarHBondContact CA-O 3.25Å; F438-W480 HydrophobicContact CD2-CD2 4.06Å; F438-W480 AromaticContact CD2-CE2 3.51Å; F438-W480 HydrophobicContact CD2-CG 4.43Å; F438-W480 HydrophobicContact CD2-CH2 4.49Å; F438-W480 AromaticContact CD2-CZ2 3.77Å; F438-W480 HydrophobicContact CD2-CZ2 3.77Å; F438-W480 AromaticContact CD2-NE1 3.55Å; F438-W480 AromaticContact CE2-CE2 3.86Å; F438-W480 HydrophobicContact CE2-CH2 4.04Å; F438-W480 AromaticContact CE2-CZ2 3.59Å; F438-W480 HydrophobicContact CE2-CZ2 3.59Å; F438-P508 WeakPolarHBondContact O-CA 3.17Å; F438-G509 PolarHBondContact N-O 2.85Å; F438-G509 PolarHBondContact O-N 2.84Å; F438-N511 HydrophobicContact CB-CB 4.24Å
439	M	94.7	Very high	92.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.4	174.4	-58.4	164.8	-176.5	0	0	108.8	I442 C479 V481 L496 L506 P508	M439-I442 HydrophobicContact CB-CD1 3.86Å; M439-I442 HydrophobicContact CB-CG1 4.26Å; M439-I442 HydrophobicContact SD-CD1 4.06Å; M439-C479 HydrophobicContact CB-CB 4.15Å; M439-C479 PolarHBondContact N-O 3.35Å; M439-C479 PolarHBondContact O-N 3.48Å; M439-C479 HydrophobicContact SD-CB 4.41Å; M439-V481 HydrophobicContact CE-CG2 3.96Å; M439-L496 HydrophobicContact CE-CD1 4.47Å; M439-L506 WeakPolarHBondContact CB-O 3.49Å; M439-L506 HydrophobicContact CE-CB 4.37Å; M439-L506 HydrophobicContact CE-CD1 4.3Å; M439-L506 HydrophobicContact CG-CB 4.43Å; M439-L506 HydrophobicContact SD-CB 4.03Å; M439-L506 HydrophobicContact SD-CD1 4.46Å; M439-L506 HydrophobicContact SD-CD2 4.17Å; M439-L506 HydrophobicContact SD-CG 4.46Å; M439-P508 HydrophobicContact CE-CB 4.23Å; M439-P508 HydrophobicContact CG-CB 4.01Å
440	R	91.6	Very high	92.5	Very high	173 Å²	173	36.1 Å²	36.1	65%	0.653	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	-26.8	-164.3	-166.2	-179.4	-172.9	-159.9	4	114.5	F438	F438-R440 HydrophobicContact CE1-CB 4.06Å; F438-R440 HydrophobicContact CE1-CG 4.21Å; F438-R440 HydrophobicContact CZ-CB 4.36Å; F438-R440 HydrophobicContact CZ-CG 4.34Å
441	S	91.7	Very high	92.7	Very high	53 Å²	53	34.8 Å²	34.8	37%	0.371	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	86.4	-164.5	-159.6	0	0	0	0	110.8	F476 C504	S441-F476 WeakPolarHBondContact OG-CD1 3.37Å; S441-C504 PolarHBondContact O-SG 2.73Å; S441-C504 VanDerWaalsContact O-SG 3.42Å
442	I	93.3	Very high	92.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.2	175.4	-58.3	-54.2	0	0	0	109.5	M439 I446 I451 F476 R477 C479 L506	M439-I442 HydrophobicContact CB-CD1 3.86Å; M439-I442 HydrophobicContact CB-CG1 4.26Å; M439-I442 HydrophobicContact SD-CD1 4.06Å; I442-I446 HydrophobicContact CG2-CB 4.23Å; I442-I446 HydrophobicContact CG2-CG2 4.38Å; I442-I451 HydrophobicContact CG2-CD1 4.04Å; I442-F476 VanDerWaalsContact C-CD1 3.46Å; I442-F476 WeakPolarHBondContact O-CA 3.42Å; I442-F476 WeakPolarHBondContact O-CD1 3.32Å; I442-R477 PolarHBondContact N-O 3.29Å; I442-R477 PolarHBondContact O-N 3.23Å; I442-C479 HydrophobicContact CG1-CB 3.7Å; I442-L506 HydrophobicContact CD1-CD2 3.52Å
443	A	91.4	Very high	93	Very high	13 Å²	13	36.6 Å²	36.6	11%	0.107	20%	0.202	C	C	.	.			trans	-62.9	148.1	178.3	0	0	0	0	0	112.2	S445 I446 F476 R477 C504	A443-S445 PolarHBondContact O-N 3.37Å; A443-I446 HydrophobicContact CB-CD1 4.03Å; A443-I446 HydrophobicContact CB-CG1 4.28Å; A443-I446 PolarHBondContact O-N 3.06Å; A443-F476 HydrophobicContact CB-CE1 4.13Å; A443-F476 HydrophobicContact CB-CZ 4.25Å; A443-R477 PolarHBondContact O-NH2 2.98Å; A443-C504 HydrophobicContact CB-CB 4.36Å
444	P	89.1	Confident	93.1	Very high	15 Å²	15	34 Å²	34	10%	0.097	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.1	178.2	26.2	-34.7	0	0	0	113.1	E193 I446 F475 R477	E193-P444 WeakPolarHBondContact OE1-CB 3.48Å; E193-P444 WeakPolarHBondContact OE1-CG 3.36Å; P444-I446 PolarHBondContact O-N 3.04Å; P444-F475 HydrophobicContact CB-CB 4.11Å; P444-F475 HydrophobicContact CG-CB 4.28Å; P444-R477 PolarHBondContact O-NH2 2.74Å; P444-R477 VanDerWaalsContact O-NH2 3.08Å
445	S	88.6	Confident	93.1	Very high	54 Å²	54	33.4 Å²	33.4	38%	0.378	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-14.3	-179.2	62.9	0	0	0	0	115.7	E193 A443 R502	E193-S445 PolarHBondContact OE1-N 2.84Å; A443-S445 PolarHBondContact O-N 3.37Å; S445-R502 PolarHBondContact O-NH1 3.31Å; S445-R502 PolarHBondContact O-NH2 2.83Å
446	I	91.2	Very high	93.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.209	C	C	.	.	S	Bend	trans	-85.6	128.2	179	-66.2	169	0	0	0	109.6	I442 A443 P444 E450 I451 R477 L501 C504	I442-I446 HydrophobicContact CG2-CB 4.23Å; I442-I446 HydrophobicContact CG2-CG2 4.38Å; A443-I446 HydrophobicContact CB-CD1 4.03Å; A443-I446 HydrophobicContact CB-CG1 4.28Å; A443-I446 PolarHBondContact O-N 3.06Å; P444-I446 PolarHBondContact O-N 3.04Å; I446-E450 HydrophobicContact CG2-CB 4.47Å; I446-I451 HydrophobicContact CG2-CD1 4.14Å; I446-I451 HydrophobicContact CG2-CG1 4.03Å; I446-R477 PolarHBondContact O-NH2 2.79Å; I446-L501 HydrophobicContact CD1-CB 4.03Å; I446-L501 WeakPolarHBondContact CD1-O 3.34Å; I446-L501 HydrophobicContact CG2-CD1 4.21Å; I446-C504 HydrophobicContact CD1-CB 3.39Å
447	S	91.6	Very high	93	Very high	24 Å²	24	48 Å²	48	17%	0.168	24%	0.24	C	C	.	.			trans	-78.3	149.3	178.2	65	0	0	0	0	113	E194 A449 E450 I451	E194-S447 WeakPolarHBondContact OE1-CA 3.28Å; E194-S447 VanDerWaalsContact OE1-CB 3.29Å; E194-S447 WeakPolarHBondContact OE1-CB 3.49Å; S447-A449 PolarHBondContact O-N 3.16Å; S447-E450 WeakPolarHBondContact CB-OE2 3.41Å; S447-E450 PolarHBondContact N-OE2 3.12Å; S447-E450 PolarHBondContact O-N 2.93Å; S447-E450 VanDerWaalsContact OG-CG 3.32Å; S447-E450 WeakPolarHBondContact OG-CG 3.17Å; S447-E450 PolarHBondContact OG-N 2.68Å; S447-E450 PolarHBondContact OG-OE2 2.83Å; S447-I451 PolarHBondContact O-N 2.56Å
448	K	91.8	Very high	92.9	Very high	46 Å²	46	50 Å²	50	20%	0.2	25%	0.248	C	C	.	.	H	α-helix	trans	-52.9	-35.9	161.3	-175.8	171.3	167.8	175.3	0	111	E194 I451 I452 V464 L466 E648	E194-K448 VanDerWaalsContact OE1-CB 3.27Å; E194-K448 WeakPolarHBondContact OE1-CB 3.29Å; E194-K448 PolarHBondContact OE1-N 2.77Å; E194-K448 PolarHBondContact OE2-N 3.39Å; K448-I451 PolarHBondContact O-N 2.73Å; K448-I452 HydrophobicContact CG-CD1 3.83Å; K448-I452 HydrophobicContact CG-CG1 4.41Å; K448-I452 WeakPolarHBondContact O-CB 3.32Å; K448-I452 WeakPolarHBondContact O-CG1 3.14Å; K448-I452 PolarHBondContact O-N 3.5Å; K448-V464 VanDerWaalsContact CE-O 3.27Å; K448-V464 WeakPolarHBondContact CE-O 3.45Å; K448-V464 HydrophobicContact CG-CG1 4.3Å; K448-L466 HydrophobicContact CB-CD1 3.79Å; K448-L466 HydrophobicContact CG-CD1 4.38Å; K448-E648 IonicContact NZ-OE1 3.51Å; K448-E648 PolarHBondContact NZ-OE1 3.27Å; K448-E648 IonicContact NZ-OE2 3.17Å; K448-E648 PolarHBondContact NZ-OE2 2.86Å
449	A	92.3	Very high	92.8	Very high	62 Å²	62	52.1 Å²	52.1	51%	0.512	27%	0.268	S	S	.	.	H	α-helix	trans	-61.4	-43.9	176.2	0	0	0	0	0	113.2	S447 I452 A453	S447-A449 PolarHBondContact O-N 3.16Å; A449-I452 PolarHBondContact O-N 2.94Å; A449-A453 WeakPolarHBondContact O-CB 3.38Å; A449-A453 PolarHBondContact O-N 2.73Å
450	E	93.3	Very high	92.7	Very high	52 Å²	52	53.5 Å²	53.5	24%	0.243	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-41.9	174.7	-77.9	156.5	113.9	0	0	111.9	I446 S447 A453 L454 L501 R502	I446-E450 HydrophobicContact CG2-CB 4.47Å; S447-E450 WeakPolarHBondContact CB-OE2 3.41Å; S447-E450 PolarHBondContact N-OE2 3.12Å; S447-E450 PolarHBondContact O-N 2.93Å; S447-E450 VanDerWaalsContact OG-CG 3.32Å; S447-E450 WeakPolarHBondContact OG-CG 3.17Å; S447-E450 PolarHBondContact OG-N 2.68Å; S447-E450 PolarHBondContact OG-OE2 2.83Å; E450-A453 PolarHBondContact O-N 2.96Å; E450-L454 WeakPolarHBondContact O-CB 3.34Å; E450-L454 PolarHBondContact O-N 3Å; E450-L501 HydrophobicContact CB-CD1 4.49Å; E450-L501 HydrophobicContact CB-CD2 4.36Å; E450-R502 IonicContact OE1-CZ 3.77Å; E450-R502 IonicContact OE1-NE 3.34Å; E450-R502 PolarHBondContact OE1-NE 2.72Å; E450-R502 IonicContact OE1-NH2 2.79Å; E450-R502 PolarHBondContact OE1-NH2 3.35Å; E450-R502 IonicContact OE2-CZ 3.69Å; E450-R502 IonicContact OE2-NH2 3.99Å; E450-R502 PolarHBondContact OE2-NH2 2.78Å
451	I	93.8	Very high	93	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.5	-40.8	178.3	-59.1	168.3	0	0	0	110.7	I442 I446 S447 K448 L454 C455 V464 L466 V481 L501	I442-I451 HydrophobicContact CG2-CD1 4.04Å; I446-I451 HydrophobicContact CG2-CD1 4.14Å; I446-I451 HydrophobicContact CG2-CG1 4.03Å; S447-I451 PolarHBondContact O-N 2.56Å; K448-I451 PolarHBondContact O-N 2.73Å; I451-L454 PolarHBondContact O-N 2.92Å; I451-C455 WeakPolarHBondContact O-CB 3.26Å; I451-C455 PolarHBondContact O-N 3.45Å; I451-C455 PolarHBondContact O-SG 3.44Å; I451-V464 HydrophobicContact CB-CG1 4.46Å; I451-V464 HydrophobicContact CG2-CG1 3.96Å; I451-V464 HydrophobicContact CG2-CG2 4.03Å; I451-L466 HydrophobicContact CD1-CD2 3.99Å; I451-V481 HydrophobicContact CG2-CG2 4.36Å; I451-L501 HydrophobicContact CG1-CD1 3.92Å
452	I	94.9	Very high	93.1	Very high	31 Å²	31	48.1 Å²	48.1	16%	0.159	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-45.7	173.2	-72.2	170.2	0	0	0	110.5	K448 A449 L454 C455 R456 F461 V464	K448-I452 HydrophobicContact CG-CD1 3.83Å; K448-I452 HydrophobicContact CG-CG1 4.41Å; K448-I452 WeakPolarHBondContact O-CB 3.32Å; K448-I452 WeakPolarHBondContact O-CG1 3.14Å; K448-I452 PolarHBondContact O-N 3.5Å; A449-I452 PolarHBondContact O-N 2.94Å; I452-L454 VanDerWaalsContact C-N 3.34Å; I452-L454 PolarHBondContact O-N 2.9Å; I452-C455 PolarHBondContact O-N 3.28Å; I452-R456 HydrophobicContact CG2-CG 3.99Å; I452-R456 VanDerWaalsContact CG2-CZ 3.45Å; I452-R456 VanDerWaalsContact CG2-NE 3.29Å; I452-R456 VanDerWaalsContact O-CB 3.28Å; I452-R456 WeakPolarHBondContact O-CB 3.41Å; I452-R456 VanDerWaalsContact O-CG 3.27Å; I452-R456 WeakPolarHBondContact O-CG 3.39Å; I452-R456 PolarHBondContact O-N 3.25Å; I452-F461 HydrophobicContact CB-CZ 4.49Å; I452-F461 HydrophobicContact CG1-CZ 4.2Å; I452-F461 HydrophobicContact CG2-CE1 4.36Å; I452-F461 HydrophobicContact CG2-CZ 4.22Å; I452-V464 HydrophobicContact CD1-CB 4.49Å; I452-V464 HydrophobicContact CG1-CB 3.89Å; I452-V464 HydrophobicContact CG1-CG2 3.62Å
453	A	94.6	Very high	93.2	Very high	62 Å²	62	50 Å²	50	51%	0.512	27%	0.267	S	S	.	.	H	α-helix	trans	-64.3	-36.9	178.5	0	0	0	0	0	112.7	A449 E450	A449-A453 WeakPolarHBondContact O-CB 3.38Å; A449-A453 PolarHBondContact O-N 2.73Å; E450-A453 PolarHBondContact O-N 2.96Å
454	L	93.3	Very high	93.4	Very high	9 Å²	9	49.5 Å²	49.5	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-61.7	-50.4	171.2	167.9	57	0	0	0	111.5	E450 I451 I452 R457 L496 I499 L501 L506	E450-L454 WeakPolarHBondContact O-CB 3.34Å; E450-L454 PolarHBondContact O-N 3Å; I451-L454 PolarHBondContact O-N 2.92Å; I452-L454 VanDerWaalsContact C-N 3.34Å; I452-L454 PolarHBondContact O-N 2.9Å; L454-R457 PolarHBondContact O-NE 3.44Å; L454-L496 HydrophobicContact CD1-CD2 3.73Å; L454-L496 HydrophobicContact CD2-CD2 4.08Å; L454-L496 HydrophobicContact CG-CD2 3.89Å; L454-I499 HydrophobicContact CD1-CD1 4.18Å; L454-I499 HydrophobicContact CD1-CG2 4.25Å; L454-I499 HydrophobicContact CD2-CG2 4.28Å; L454-L501 HydrophobicContact CD2-CD1 3.82Å; L454-L501 HydrophobicContact CD2-CG 4.16Å; L454-L506 HydrophobicContact CD2-CD1 3.4Å
455	C	94.2	Very high	93.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-82.2	-28.1	-169.6	-61	0	0	0	0	114.2	I451 I452 R457 Y458 F461 V481 F483	I451-C455 WeakPolarHBondContact O-CB 3.26Å; I451-C455 PolarHBondContact O-N 3.45Å; I451-C455 PolarHBondContact O-SG 3.44Å; I452-C455 PolarHBondContact O-N 3.28Å; C455-R457 PolarHBondContact O-N 2.91Å; C455-Y458 PolarHBondContact O-N 2.72Å; C455-Y458 VanDerWaalsContact O-N 3.08Å; C455-F461 HydrophobicContact CB-CD2 3.51Å; C455-F461 HydrophobicContact CB-CE2 3.55Å; C455-V481 HydrophobicContact CB-CG1 3.88Å; C455-F483 HydrophobicContact CB-CZ 4.43Å
456	R	95.5	Very high	93.9	Very high	175 Å²	175	47.2 Å²	47.2	66%	0.66	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-14.2	173.6	-84.6	179.1	175.3	166.3	1.2	114.6	I452 Y458 F461	I452-R456 HydrophobicContact CG2-CG 3.99Å; I452-R456 VanDerWaalsContact CG2-CZ 3.45Å; I452-R456 VanDerWaalsContact CG2-NE 3.29Å; I452-R456 VanDerWaalsContact O-CB 3.28Å; I452-R456 WeakPolarHBondContact O-CB 3.41Å; I452-R456 VanDerWaalsContact O-CG 3.27Å; I452-R456 WeakPolarHBondContact O-CG 3.39Å; I452-R456 PolarHBondContact O-N 3.25Å; R456-Y458 VanDerWaalsContact C-N 3.27Å; R456-F461 HydrophobicContact CB-CD1 4.43Å; R456-F461 HydrophobicContact CG-CD1 3.54Å; R456-F461 HydrophobicContact CG-CE1 3.61Å; R456-F461 HydrophobicContact CG-CG 4.24Å; R456-F461 HydrophobicContact CG-CZ 4.34Å
457	R	93.3	Very high	94	Very high	180 Å²	180	48 Å²	48	68%	0.679	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.1	176.5	-62.3	-173.2	-68.1	179.7	-1.4	113.5	L454 C455	L454-R457 PolarHBondContact O-NE 3.44Å; C455-R457 PolarHBondContact O-N 2.91Å
458	Y	94.7	Very high	93.9	Very high	43 Å²	43	52.9 Å²	52.9	17%	0.169	28%	0.275	C	S	.	.	S	Bend	trans	-99.1	142.3	174.3	-59.5	-86.2	0	0	0	109.9	C455 R456 I492 N495 L496	C455-Y458 PolarHBondContact O-N 2.72Å; C455-Y458 VanDerWaalsContact O-N 3.08Å; R456-Y458 VanDerWaalsContact C-N 3.27Å; Y458-I492 HydrophobicContact CD1-CB 4.5Å; Y458-I492 HydrophobicContact CD1-CG1 4.15Å; Y458-I492 HydrophobicContact CD1-CG2 4.04Å; Y458-I492 HydrophobicContact CD2-CG2 4.21Å; Y458-I492 HydrophobicContact CE1-CG2 4.42Å; Y458-I492 HydrophobicContact CG-CG1 4.48Å; Y458-I492 HydrophobicContact CG-CG2 3.92Å; Y458-N495 HydrophobicContact CE1-CB 3.95Å; Y458-L496 HydrophobicContact CE2-CD1 4.37Å; Y458-L496 HydrophobicContact CE2-CD2 3.67Å; Y458-L496 HydrophobicContact CE2-CG 3.98Å
459	P	94.5	Very high	93.8	Very high	102 Å²	102	51.8 Å²	51.8	66%	0.662	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	155.9	176.8	28.5	-35.6	0	0	0	111.2	F461	P459-F461 PolarHBondContact O-N 2.99Å
460	G	93.1	Very high	93.5	Very high	29 Å²	29	52.4 Å²	52.4	30%	0.299	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	13.9	178.2	0	0	0	0	0	115.3	L462 F483 D484	G460-L462 PolarHBondContact O-N 3.24Å; G460-F483 CarbonylContact O-C 3.51Å; G460-F483 WeakPolarHBondContact O-CA 3.26Å; G460-D484 PolarHBondContact O-N 3.48Å
461	F	96.6	Very high	93.2	Very high	37 Å²	37	52.3 Å²	52.3	16%	0.162	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	130	170.8	170.3	-90.2	0	0	0	111	I452 C455 R456 P459 V464 V481 F483	I452-F461 HydrophobicContact CB-CZ 4.49Å; I452-F461 HydrophobicContact CG1-CZ 4.2Å; I452-F461 HydrophobicContact CG2-CE1 4.36Å; I452-F461 HydrophobicContact CG2-CZ 4.22Å; C455-F461 HydrophobicContact CB-CD2 3.51Å; C455-F461 HydrophobicContact CB-CE2 3.55Å; R456-F461 HydrophobicContact CB-CD1 4.43Å; R456-F461 HydrophobicContact CG-CD1 3.54Å; R456-F461 HydrophobicContact CG-CE1 3.61Å; R456-F461 HydrophobicContact CG-CG 4.24Å; R456-F461 HydrophobicContact CG-CZ 4.34Å; P459-F461 PolarHBondContact O-N 2.99Å; F461-V464 HydrophobicContact CE2-CG2 3.77Å; F461-V464 HydrophobicContact CZ-CG2 3.93Å; F461-V481 HydrophobicContact CD2-CG1 4.12Å; F461-V481 HydrophobicContact CE2-CG1 3.92Å; F461-F483 HydrophobicContact CB-CD1 4.18Å; F461-F483 HydrophobicContact CB-CE1 3.94Å; F461-F483 HydrophobicContact CD2-CE1 4.16Å; F461-F483 HydrophobicContact CD2-CZ 4.36Å
462	L	94.1	Very high	92.8	Very high	76 Å²	76	60.1 Å²	60.1	40%	0.398	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-66.6	177.2	-59.1	177.8	0	0	0	111.8	T434 G460 T482	T434-L462 HydrophobicContact CG2-CD1 4.15Å; G460-L462 PolarHBondContact O-N 3.24Å; L462-T482 WeakPolarHBondContact CB-O 3.38Å; L462-T482 HydrophobicContact CD1-CG2 4.26Å; L462-T482 PolarHBondContact N-O 3.13Å
463	R	94.7	Very high	92.4	Very high	39 Å²	39	65.2 Å²	65.2	15%	0.147	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	160.4	-168.4	47.1	-168.7	163.8	69.7	0.9	113.3	E257 T482 E648 M649	E257-R463 IonicContact OE1-CZ 3.84Å; E257-R463 IonicContact OE1-NE 3.18Å; E257-R463 IonicContact OE1-NH2 2.73Å; E257-R463 PolarHBondContact OE1-NH2 2.86Å; R463-T482 PolarHBondContact N-O 3.45Å; R463-T482 PolarHBondContact O-N 2.84Å; R463-E648 PolarHBondContact NH1-O 3.15Å; R463-M649 VanDerWaalsContact NH1-C 3.28Å; R463-M649 PolarHBondContact NH1-O 3.24Å
464	V	96.3	Very high	91.9	Very high	3 Å²	3	69.1 Å²	69.1	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.8	175.9	175	0	0	0	0	108.7	K448 I451 I452 F461 L466 W480 V481	K448-V464 VanDerWaalsContact CE-O 3.27Å; K448-V464 WeakPolarHBondContact CE-O 3.45Å; K448-V464 HydrophobicContact CG-CG1 4.3Å; I451-V464 HydrophobicContact CB-CG1 4.46Å; I451-V464 HydrophobicContact CG2-CG1 3.96Å; I451-V464 HydrophobicContact CG2-CG2 4.03Å; I452-V464 HydrophobicContact CD1-CB 4.49Å; I452-V464 HydrophobicContact CG1-CB 3.89Å; I452-V464 HydrophobicContact CG1-CG2 3.62Å; F461-V464 HydrophobicContact CE2-CG2 3.77Å; F461-V464 HydrophobicContact CZ-CG2 3.93Å; V464-L466 HydrophobicContact CG1-CD2 4.42Å; V464-W480 WeakPolarHBondContact CA-O 3.41Å; V464-V481 HydrophobicContact CG2-CG1 4.22Å; V464-V481 HydrophobicContact CG2-CG2 4.37Å
465	C	95	Very high	91.7	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.4	168.3	-170.6	0	0	0	0	110.2	C479 W480 E648 M649	C465-C479 WeakPolarHBondContact O-CA 3.2Å; C465-W480 PolarHBondContact N-O 3.27Å; C465-W480 PolarHBondContact O-N 3.21Å; C465-E648 HydrophobicContact CB-CB 3.57Å; C465-E648 VanDerWaalsContact SG-CB 3.58Å; C465-M649 HydrophobicContact CB-CE 4.47Å; C465-M649 HydrophobicContact CB-SD 4.45Å
466	L	93.8	Very high	91.5	Very high	20 Å²	20	71.9 Å²	71.9	11%	0.105	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.4	172	-62.5	-179.9	0	0	0	109	K448 I451 V464 R477 R478 C479	K448-L466 HydrophobicContact CB-CD1 3.79Å; K448-L466 HydrophobicContact CG-CD1 4.38Å; I451-L466 HydrophobicContact CD1-CD2 3.99Å; V464-L466 HydrophobicContact CG1-CD2 4.42Å; L466-R477 VanDerWaalsContact CD1-NH1 3.28Å; L466-R478 CarbonylContact C-O 3.51Å; L466-R478 WeakPolarHBondContact CA-O 3.25Å; L466-C479 HydrophobicContact CD2-CB 3.43Å; L466-C479 VanDerWaalsContact CD2-CB 3.43Å
467	S	92.5	Very high	91.4	Very high	18 Å²	18	64 Å²	64	13%	0.126	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-70.2	163.5	170.3	73.6	0	0	0	0	111.2	H470 R477 R478	S467-H470 PolarHBondContact OG-NE2 2.85Å; S467-R477 WeakPolarHBondContact O-CD 3.43Å; S467-R477 VanDerWaalsContact O-CG 3.27Å; S467-R477 WeakPolarHBondContact O-CG 3.49Å; S467-R478 PolarHBondContact N-O 2.69Å; S467-R478 PolarHBondContact OG-N 2.69Å
468	D	89.3	Confident	91.5	Very high	127 Å²	127	59.7 Å²	59.7	68%	0.679	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-49.3	146.1	156.5	-67.1	-55.9	0	0	0	111.3
469	P	89.8	Confident	91.5	Very high	23 Å²	23	57.7 Å²	57.7	15%	0.149	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-75	132.4	177.9	30.2	-34.2	0	0	0	111.2	W195 P471 F475 R477	W195-P469 HydrophobicContact CD2-CB 4.41Å; W195-P469 HydrophobicContact CD2-CG 3.71Å; W195-P469 HydrophobicContact CE3-CG 3.5Å; W195-P469 HydrophobicContact CG-CG 4.22Å; W195-P469 HydrophobicContact CH2-CG 4.41Å; W195-P469 HydrophobicContact CZ3-CG 3.87Å; P469-P471 WeakPolarHBondContact O-CD 3.48Å; P469-F475 HydrophobicContact CB-CB 3.8Å; P469-F475 HydrophobicContact CB-CD1 4.12Å; P469-F475 HydrophobicContact CB-CG 4.47Å; P469-F475 WeakPolarHBondContact CB-O 3.44Å; P469-F475 HydrophobicContact CG-CD1 4.34Å; P469-R477 HydrophobicContact CB-CG 3.83Å
470	H	86.6	Confident	91.6	Very high	74 Å²	74	54.7 Å²	54.7	34%	0.343	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-84.4	114.6	179.8	-69.9	-79.3	0	0	0	110.8	S467 E472 R473 F475 F476 R478	S467-H470 PolarHBondContact OG-NE2 2.85Å; H470-E472 PolarHBondContact O-N 3.47Å; H470-R473 HydrophobicContact CB-CB 4Å; H470-R473 HydrophobicContact CB-CG 4.13Å; H470-R473 CarbonylContact O-C 3.36Å; H470-R473 WeakPolarHBondContact O-CA 3.48Å; H470-R473 PolarHBondContact O-N 3.4Å; H470-F475 WeakPolarHBondContact O-CA 3.41Å; H470-F475 PolarHBondContact O-N 3.34Å; H470-F476 PolarHBondContact N-O 3.13Å; H470-R478 PolarHBondContact NE2-NE 2.59Å
471	P	86.4	Confident	91.8	Very high	50 Å²	50	53.3 Å²	53.3	33%	0.325	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-61.8	-41	-177.4	-22.7	34	0	0	0	112.9	P469 R473 R474 F475 P776	P469-P471 WeakPolarHBondContact O-CD 3.48Å; P471-R473 PolarHBondContact O-N 3.33Å; P471-R474 PolarHBondContact O-N 2.91Å; P471-R474 VanDerWaalsContact O-N 3.07Å; P471-F475 HydrophobicContact CB-CD1 4.4Å; P471-F475 HydrophobicContact CB-CE1 3.77Å; P471-F475 HydrophobicContact CB-CZ 4.21Å; P471-F475 HydrophobicContact CG-CD1 4.39Å; P471-F475 HydrophobicContact CG-CE1 3.87Å; P471-P776 HydrophobicContact CB-CG 4.07Å
472	E	84.7	Confident	91.8	Very high	164 Å²	164	51.6 Å²	51.6	77%	0.766	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-51.4	-24.6	171.9	-62	179.3	173.9	0	0	114.1	H470	H470-E472 PolarHBondContact O-N 3.47Å
473	R	86.9	Confident	91.9	Very high	139 Å²	139	48 Å²	48	53%	0.525	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-113.8	31.9	-175.3	-59.6	177.2	173.1	-95.5	-13.2	111.3	H470 P471 F475 F476	H470-R473 HydrophobicContact CB-CB 4Å; H470-R473 HydrophobicContact CB-CG 4.13Å; H470-R473 CarbonylContact O-C 3.36Å; H470-R473 WeakPolarHBondContact O-CA 3.48Å; H470-R473 PolarHBondContact O-N 3.4Å; P471-R473 PolarHBondContact O-N 3.33Å; R473-F475 VanDerWaalsContact C-N 3.27Å; R473-F475 PolarHBondContact O-N 2.82Å; R473-F476 HydrophobicContact CB-CB 4.44Å; R473-F476 WeakPolarHBondContact O-CB 3.27Å; R473-F476 WeakPolarHBondContact O-CD2 3.35Å; R473-F476 PolarHBondContact O-N 3.43Å; R473-F476 VanDerWaalsContact O-N 3.13Å
474	R	84.3	Confident	91.9	Very high	144 Å²	144	48.5 Å²	48.5	54%	0.543	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	45.1	-178.2	-56.5	-178.3	180	179.9	-0.6	112.2	P471 F476	P471-R474 PolarHBondContact O-N 2.91Å; P471-R474 VanDerWaalsContact O-N 3.07Å; R474-F476 HydrophobicContact CB-CD2 4.41Å; R474-F476 PolarHBondContact O-N 3.5Å; R474-F476 VanDerWaalsContact O-N 3.11Å
475	F	89.1	Confident	91.7	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.018	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	17.1	-180	-55.1	-70.7	0	0	0	116	F186 H190 W195 P444 P469 H470 P471 R473 R477 P773 L775	F186-F475 AromaticContact CE2-CE2 3.81Å; F186-F475 HydrophobicContact CE2-CE2 3.81Å; F186-F475 AromaticContact CE2-CZ 3.63Å; F186-F475 HydrophobicContact CE2-CZ 3.63Å; F186-F475 HydrophobicContact CZ-CE1 4.3Å; F186-F475 HydrophobicContact CZ-CE2 4.06Å; F186-F475 AromaticContact CZ-CZ 3.65Å; F186-F475 HydrophobicContact CZ-CZ 3.65Å; H190-F475 AromaticContact CE1-CD2 3.76Å; H190-F475 AromaticContact CE1-CE2 3.99Å; H190-F475 AromaticContact NE2-CE2 3.77Å; W195-F475 HydrophobicContact CH2-CD1 4.14Å; W195-F475 HydrophobicContact CH2-CE1 4.35Å; W195-F475 HydrophobicContact CZ2-CB 4.41Å; W195-F475 HydrophobicContact CZ2-CD1 4.11Å; W195-F475 HydrophobicContact CZ2-CG 4.11Å; P444-F475 HydrophobicContact CB-CB 4.11Å; P444-F475 HydrophobicContact CG-CB 4.28Å; P469-F475 HydrophobicContact CB-CB 3.8Å; P469-F475 HydrophobicContact CB-CD1 4.12Å; P469-F475 HydrophobicContact CB-CG 4.47Å; P469-F475 WeakPolarHBondContact CB-O 3.44Å; P469-F475 HydrophobicContact CG-CD1 4.34Å; H470-F475 WeakPolarHBondContact O-CA 3.41Å; H470-F475 PolarHBondContact O-N 3.34Å; P471-F475 HydrophobicContact CB-CD1 4.4Å; P471-F475 HydrophobicContact CB-CE1 3.77Å; P471-F475 HydrophobicContact CB-CZ 4.21Å; P471-F475 HydrophobicContact CG-CD1 4.39Å; P471-F475 HydrophobicContact CG-CE1 3.87Å; R473-F475 VanDerWaalsContact C-N 3.27Å; R473-F475 PolarHBondContact O-N 2.82Å; F475-R477 PolarHBondContact O-N 3.33Å; F475-P773 HydrophobicContact CE1-CB 4.02Å; F475-L775 HydrophobicContact CE2-CD2 3.77Å; F475-L775 HydrophobicContact CE2-CG 4.48Å; F475-L775 HydrophobicContact CZ-CD2 4.39Å
476	F	91.3	Very high	91.4	Very high	63 Å²	63	55.3 Å²	55.3	28%	0.276	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-61.9	134.9	171.2	-85.5	-107.5	0	0	0	111.5	S441 I442 A443 H470 R473 R474	S441-F476 WeakPolarHBondContact OG-CD1 3.37Å; I442-F476 VanDerWaalsContact C-CD1 3.46Å; I442-F476 WeakPolarHBondContact O-CA 3.42Å; I442-F476 WeakPolarHBondContact O-CD1 3.32Å; A443-F476 HydrophobicContact CB-CE1 4.13Å; A443-F476 HydrophobicContact CB-CZ 4.25Å; H470-F476 PolarHBondContact N-O 3.13Å; R473-F476 HydrophobicContact CB-CB 4.44Å; R473-F476 WeakPolarHBondContact O-CB 3.27Å; R473-F476 WeakPolarHBondContact O-CD2 3.35Å; R473-F476 PolarHBondContact O-N 3.43Å; R473-F476 VanDerWaalsContact O-N 3.13Å; R474-F476 HydrophobicContact CB-CD2 4.41Å; R474-F476 PolarHBondContact O-N 3.5Å; R474-F476 VanDerWaalsContact O-N 3.11Å
477	R	93.1	Very high	91.4	Very high	8 Å²	8	55.1 Å²	55.1	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	160.3	179.9	-68	176.9	-72.3	168	4	110.8	E194 I442 A443 P444 I446 L466 S467 P469 F475	E194-R477 IonicContact OE2-CZ 2.97Å; E194-R477 IonicContact OE2-NH1 3.78Å; E194-R477 PolarHBondContact OE2-NH1 3.3Å; E194-R477 IonicContact OE2-NH2 3.42Å; I442-R477 PolarHBondContact N-O 3.29Å; I442-R477 PolarHBondContact O-N 3.23Å; A443-R477 PolarHBondContact O-NH2 2.98Å; P444-R477 PolarHBondContact O-NH2 2.74Å; P444-R477 VanDerWaalsContact O-NH2 3.08Å; I446-R477 PolarHBondContact O-NH2 2.79Å; L466-R477 VanDerWaalsContact CD1-NH1 3.28Å; S467-R477 WeakPolarHBondContact O-CD 3.43Å; S467-R477 VanDerWaalsContact O-CG 3.27Å; S467-R477 WeakPolarHBondContact O-CG 3.49Å; P469-R477 HydrophobicContact CB-CG 3.83Å; F475-R477 PolarHBondContact O-N 3.33Å
478	R	94.3	Very high	91.5	Very high	91 Å²	91	57.9 Å²	57.9	34%	0.343	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	148.2	166.3	-59.5	177.6	-158.5	174.8	11.2	108.6	F438 L466 S467 H470 W480	F438-R478 HydrophobicContact CE2-CB 4.01Å; F438-R478 HydrophobicContact CE2-CG 4.35Å; L466-R478 CarbonylContact C-O 3.51Å; L466-R478 WeakPolarHBondContact CA-O 3.25Å; S467-R478 PolarHBondContact N-O 2.69Å; S467-R478 PolarHBondContact OG-N 2.69Å; H470-R478 PolarHBondContact NE2-NE 2.59Å; R478-W480 HydrophobicContact CB-CE3 4.43Å; R478-W480 HydrophobicContact CB-CH2 3.65Å; R478-W480 HydrophobicContact CB-CZ3 3.54Å; R478-W480 HydrophobicContact CG-CH2 4.5Å
479	C	95.4	Very high	91.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.7	179.3	177.7	0	0	0	0	111.4	F438 M439 I442 C465 L466	F438-C479 WeakPolarHBondContact CA-O 3.25Å; M439-C479 HydrophobicContact CB-CB 4.15Å; M439-C479 PolarHBondContact N-O 3.35Å; M439-C479 PolarHBondContact O-N 3.48Å; M439-C479 HydrophobicContact SD-CB 4.41Å; I442-C479 HydrophobicContact CG1-CB 3.7Å; C465-C479 WeakPolarHBondContact O-CA 3.2Å; L466-C479 HydrophobicContact CD2-CB 3.43Å; L466-C479 VanDerWaalsContact CD2-CB 3.43Å
480	W	96.8	Very high	92	Very high	40 Å²	40	58.2 Å²	58.2	15%	0.152	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.6	167	-66.9	-103.1	0	0	0	109	L437 F438 V464 C465 R478 M649 P650	L437-W480 VanDerWaalsContact O-CA 3.29Å; L437-W480 WeakPolarHBondContact O-CA 3.28Å; F438-W480 HydrophobicContact CD2-CD2 4.06Å; F438-W480 AromaticContact CD2-CE2 3.51Å; F438-W480 HydrophobicContact CD2-CG 4.43Å; F438-W480 HydrophobicContact CD2-CH2 4.49Å; F438-W480 AromaticContact CD2-CZ2 3.77Å; F438-W480 HydrophobicContact CD2-CZ2 3.77Å; F438-W480 AromaticContact CD2-NE1 3.55Å; F438-W480 AromaticContact CE2-CE2 3.86Å; F438-W480 HydrophobicContact CE2-CH2 4.04Å; F438-W480 AromaticContact CE2-CZ2 3.59Å; F438-W480 HydrophobicContact CE2-CZ2 3.59Å; V464-W480 WeakPolarHBondContact CA-O 3.41Å; C465-W480 PolarHBondContact N-O 3.27Å; C465-W480 PolarHBondContact O-N 3.21Å; R478-W480 HydrophobicContact CB-CE3 4.43Å; R478-W480 HydrophobicContact CB-CH2 3.65Å; R478-W480 HydrophobicContact CB-CZ3 3.54Å; R478-W480 HydrophobicContact CG-CH2 4.5Å; W480-M649 HydrophobicContact CD2-CE 3.91Å; W480-M649 HydrophobicContact CD2-SD 3.86Å; W480-M649 HydrophobicContact CE3-CE 3.47Å; W480-M649 VanDerWaalsContact CE3-CE 3.47Å; W480-M649 HydrophobicContact CE3-SD 4.03Å; W480-M649 HydrophobicContact CG-SD 4.1Å; W480-M649 HydrophobicContact CH2-CE 4Å; W480-M649 HydrophobicContact CZ2-CE 4.39Å; W480-M649 HydrophobicContact CZ3-CE 3.54Å; W480-P650 HydrophobicContact CB-CG 4.05Å; W480-P650 HydrophobicContact CG-CG 4.42Å
481	V	97.1	Very high	92.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.5	175.3	-171	0	0	0	0	107.6	S436 L437 M439 I451 C455 F461 V464 F483	S436-V481 CarbonylContact C-O 3.59Å; S436-V481 WeakPolarHBondContact CA-O 3.41Å; S436-V481 VanDerWaalsContact CB-O 3.27Å; S436-V481 WeakPolarHBondContact CB-O 3.46Å; L437-V481 HydrophobicContact CB-CB 4.41Å; L437-V481 PolarHBondContact N-O 2.69Å; L437-V481 PolarHBondContact O-N 3.09Å; M439-V481 HydrophobicContact CE-CG2 3.96Å; I451-V481 HydrophobicContact CG2-CG2 4.36Å; C455-V481 HydrophobicContact CB-CG1 3.88Å; F461-V481 HydrophobicContact CD2-CG1 4.12Å; F461-V481 HydrophobicContact CE2-CG1 3.92Å; V464-V481 HydrophobicContact CG2-CG1 4.22Å; V464-V481 HydrophobicContact CG2-CG2 4.37Å; V481-F483 HydrophobicContact CB-CE2 3.97Å; V481-F483 HydrophobicContact CG1-CD2 4.2Å; V481-F483 HydrophobicContact CG1-CE2 3.38Å; V481-F483 HydrophobicContact CG1-CZ 3.68Å
482	T	96.8	Very high	92.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.8	-175.2	-48.3	0	0	0	0	110.4	T434 L462 R463 P650	T434-T482 HydrophobicContact CG2-CG2 3.85Å; L462-T482 WeakPolarHBondContact CB-O 3.38Å; L462-T482 HydrophobicContact CD1-CG2 4.26Å; L462-T482 PolarHBondContact N-O 3.13Å; R463-T482 PolarHBondContact N-O 3.45Å; R463-T482 PolarHBondContact O-N 2.84Å; T482-P650 HydrophobicContact CG2-CB 4.15Å; T482-P650 WeakPolarHBondContact OG1-CA 3.14Å
483	F	96.3	Very high	93.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	157.9	177.7	-65.4	-92.2	0	0	0	110.3	T434 F435 L437 C455 G460 F461 V481 V487 I489 I492	T434-F483 WeakPolarHBondContact CB-O 3.31Å; F435-F483 PolarHBondContact N-O 3.43Å; F435-F483 PolarHBondContact O-N 2.83Å; F435-F483 VanDerWaalsContact O-O 3.09Å; L437-F483 HydrophobicContact CD1-CE2 4.15Å; L437-F483 HydrophobicContact CG-CE2 4.19Å; C455-F483 HydrophobicContact CB-CZ 4.43Å; G460-F483 CarbonylContact O-C 3.51Å; G460-F483 WeakPolarHBondContact O-CA 3.26Å; F461-F483 HydrophobicContact CB-CD1 4.18Å; F461-F483 HydrophobicContact CB-CE1 3.94Å; F461-F483 HydrophobicContact CD2-CE1 4.16Å; F461-F483 HydrophobicContact CD2-CZ 4.36Å; V481-F483 HydrophobicContact CB-CE2 3.97Å; V481-F483 HydrophobicContact CG1-CD2 4.2Å; V481-F483 HydrophobicContact CG1-CE2 3.38Å; V481-F483 HydrophobicContact CG1-CZ 3.68Å; F483-V487 HydrophobicContact CB-CG2 3.83Å; F483-V487 HydrophobicContact CG-CG2 4.37Å; F483-I489 HydrophobicContact CB-CD1 4.34Å; F483-I489 HydrophobicContact CD2-CD1 3.58Å; F483-I489 HydrophobicContact CE2-CD1 4.18Å; F483-I489 HydrophobicContact CG-CD1 4.16Å; F483-I492 HydrophobicContact CD1-CD1 3.98Å; F483-I492 HydrophobicContact CE1-CD1 4.01Å; F483-I492 HydrophobicContact CE1-CG2 4.22Å; F483-I492 HydrophobicContact CE2-CG2 4.2Å; F483-I492 HydrophobicContact CG-CD1 4.45Å; F483-I492 HydrophobicContact CZ-CD1 4.47Å; F483-I492 HydrophobicContact CZ-CG2 3.76Å
484	D	94.3	Very high	93.6	Very high	50 Å²	50	53.6 Å²	53.6	27%	0.267	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	155.8	170.4	178.9	38.2	0	0	0	112.3	G460 S486	G460-D484 PolarHBondContact O-N 3.48Å; D484-S486 PolarHBondContact O-N 3.4Å; D484-S486 WeakPolarHBondContact OD2-CB 3.3Å; D484-S486 PolarHBondContact OD2-N 2.84Å; D484-S486 PolarHBondContact OD2-OG 2.79Å
485	R	91.1	Very high	94	Very high	51 Å²	51	51 Å²	51	19%	0.192	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-17.9	-179.2	-163.9	62.9	172.7	-159.2	0.2	113.1	E273 K433 T434 F435 V487 D513	E273-R485 IonicContact OE1-NH2 3.15Å; K433-R485 HydrophobicContact CB-CB 4.41Å; K433-R485 HydrophobicContact CB-CG 4.13Å; T434-R485 PolarHBondContact O-NH1 3.01Å; T434-R485 VanDerWaalsContact O-NH1 3.16Å; F435-R485 VanDerWaalsContact CE1-CZ 3.47Å; F435-R485 VanDerWaalsContact CE1-NH1 3.34Å; F435-R485 HydrophobicContact CE2-CG 4.43Å; F435-R485 VanDerWaalsContact CE2-O 3.23Å; F435-R485 WeakPolarHBondContact CE2-O 3.37Å; R485-V487 VanDerWaalsContact C-N 3.28Å; R485-V487 PolarHBondContact O-N 3.11Å; R485-D513 IonicContact CZ-OD2 3.18Å; R485-D513 IonicContact NH1-OD1 2.88Å; R485-D513 PolarHBondContact NH1-OD1 2.88Å; R485-D513 IonicContact NH1-OD2 2.85Å; R485-D513 PolarHBondContact NH1-OD2 2.9Å; R485-D513 IonicContact NH2-OD2 3.65Å; R485-D513 PolarHBondContact NH2-OD2 3.37Å
486	S	90	Very high	94.1	Very high	96 Å²	96	50.8 Å²	50.8	67%	0.671	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.1	-179.8	65.5	0	0	0	0	115.3	D484	D484-S486 PolarHBondContact O-N 3.4Å; D484-S486 WeakPolarHBondContact OD2-CB 3.3Å; D484-S486 PolarHBondContact OD2-N 2.84Å; D484-S486 PolarHBondContact OD2-OG 2.79Å
487	V	93.7	Very high	94.1	Very high	16 Å²	16	50.5 Å²	50.5	10%	0.097	24%	0.238	C	C	.	.	S	Bend	trans	-97.3	148	-168.8	-45.8	0	0	0	0	113.7	F435 F483 R485 I489 I492	F435-V487 WeakPolarHBondContact CD2-O 3.28Å; F435-V487 WeakPolarHBondContact CE2-O 3.43Å; F483-V487 HydrophobicContact CB-CG2 3.83Å; F483-V487 HydrophobicContact CG-CG2 4.37Å; R485-V487 VanDerWaalsContact C-N 3.28Å; R485-V487 PolarHBondContact O-N 3.11Å; V487-I489 VanDerWaalsContact C-N 3.32Å; V487-I489 PolarHBondContact O-N 3.19Å; V487-I492 HydrophobicContact CB-CD1 4.12Å; V487-I492 HydrophobicContact CG2-CD1 3.63Å
488	N	94.8	Very high	93.7	Very high	75 Å²	75	56.4 Å²	56.4	40%	0.401	27%	0.27	S	S	.	.			trans	-75.1	84.6	170.5	-168.2	-7.7	0	0	0	111.5	K490 E491 I492	N488-K490 PolarHBondContact O-N 3.46Å; N488-K490 WeakPolarHBondContact OD1-CB 3.03Å; N488-K490 PolarHBondContact OD1-N 2.89Å; N488-E491 HydrophobicContact CB-CB 4.41Å; N488-E491 HydrophobicContact CB-CG 4.35Å; N488-E491 WeakPolarHBondContact ND2-CG 3.18Å; N488-E491 PolarHBondContact ND2-OE1 3.38Å; N488-E491 PolarHBondContact O-N 3Å; N488-E491 VanDerWaalsContact O-N 3.07Å; N488-I492 PolarHBondContact O-N 3.43Å
489	I	94.9	Very high	93.4	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-54.9	-25	-179.6	-165.2	63.9	0	0	0	113.8	F435 L437 F483 V487 C493 V510	F435-I489 HydrophobicContact CB-CB 3.92Å; F435-I489 HydrophobicContact CB-CD1 4.01Å; F435-I489 HydrophobicContact CB-CG1 3.9Å; F435-I489 HydrophobicContact CB-CG2 4.37Å; F435-I489 HydrophobicContact CD1-CG2 4.03Å; F435-I489 HydrophobicContact CD2-CB 4.15Å; F435-I489 HydrophobicContact CD2-CG2 4.23Å; F435-I489 HydrophobicContact CE1-CG2 4.36Å; F435-I489 HydrophobicContact CG-CB 3.97Å; F435-I489 HydrophobicContact CG-CG1 4.43Å; F435-I489 HydrophobicContact CG-CG2 3.98Å; L437-I489 HydrophobicContact CD2-CD1 3.63Å; L437-I489 HydrophobicContact CD2-CG1 3.68Å; L437-I489 HydrophobicContact CG-CD1 3.8Å; L437-I489 HydrophobicContact CG-CG1 4.4Å; F483-I489 HydrophobicContact CB-CD1 4.34Å; F483-I489 HydrophobicContact CD2-CD1 3.58Å; F483-I489 HydrophobicContact CE2-CD1 4.18Å; F483-I489 HydrophobicContact CG-CD1 4.16Å; V487-I489 VanDerWaalsContact C-N 3.32Å; V487-I489 PolarHBondContact O-N 3.19Å; I489-C493 VanDerWaalsContact O-CB 3.29Å; I489-C493 WeakPolarHBondContact O-CB 3.5Å; I489-C493 PolarHBondContact O-N 3.29Å; I489-V510 HydrophobicContact CG1-CG1 4.27Å; I489-V510 HydrophobicContact CG2-CG1 3.87Å; I489-V510 HydrophobicContact CG2-CG2 4.47Å
490	K	95	Very high	93.1	Very high	152 Å²	152	62 Å²	62	66%	0.661	29%	0.294	S	S	*	.	H	α-helix	trans	-72.5	-39.1	178.7	-62.5	171.3	-176	164.6	0	112.1	N488 C493 W494 V510	N488-K490 PolarHBondContact O-N 3.46Å; N488-K490 WeakPolarHBondContact OD1-CB 3.03Å; N488-K490 PolarHBondContact OD1-N 2.89Å; K490-C493 WeakPolarHBondContact O-CB 3.31Å; K490-C493 PolarHBondContact O-N 3.43Å; K490-W494 WeakPolarHBondContact O-CB 3.34Å; K490-W494 PolarHBondContact O-N 3.44Å; K490-V510 HydrophobicContact CG-CG2 4.43Å
491	E	94.6	Very high	92.6	Very high	118 Å²	118	61.5 Å²	61.5	55%	0.551	29%	0.294	S	S	*	.	H	α-helix	trans	-68	-43	175.4	-73.9	167.9	-157.8	0	0	110.9	N488 C493 W494 N495	N488-E491 HydrophobicContact CB-CB 4.41Å; N488-E491 HydrophobicContact CB-CG 4.35Å; N488-E491 WeakPolarHBondContact ND2-CG 3.18Å; N488-E491 PolarHBondContact ND2-OE1 3.38Å; N488-E491 PolarHBondContact O-N 3Å; N488-E491 VanDerWaalsContact O-N 3.07Å; E491-C493 VanDerWaalsContact C-N 3.32Å; E491-C493 PolarHBondContact O-N 2.83Å; E491-W494 PolarHBondContact O-N 2.88Å; E491-N495 WeakPolarHBondContact O-CB 3.46Å; E491-N495 PolarHBondContact O-N 3.47Å; E491-N495 PolarHBondContact O-ND2 3.24Å
492	I	94.9	Very high	92	Very high	10 Å²	10	67.8 Å²	67.8	5%	0.051	32%	0.318	C	S	.	.	H	α-helix	trans	-60.6	-43.7	174.7	-55.9	177.4	0	0	0	110.3	L437 Y458 F483 V487 N488 W494 N495 L496	L437-I492 HydrophobicContact CD1-CG2 4.1Å; Y458-I492 HydrophobicContact CD1-CB 4.5Å; Y458-I492 HydrophobicContact CD1-CG1 4.15Å; Y458-I492 HydrophobicContact CD1-CG2 4.04Å; Y458-I492 HydrophobicContact CD2-CG2 4.21Å; Y458-I492 HydrophobicContact CE1-CG2 4.42Å; Y458-I492 HydrophobicContact CG-CG1 4.48Å; Y458-I492 HydrophobicContact CG-CG2 3.92Å; F483-I492 HydrophobicContact CD1-CD1 3.98Å; F483-I492 HydrophobicContact CE1-CD1 4.01Å; F483-I492 HydrophobicContact CE1-CG2 4.22Å; F483-I492 HydrophobicContact CE2-CG2 4.2Å; F483-I492 HydrophobicContact CG-CD1 4.45Å; F483-I492 HydrophobicContact CZ-CD1 4.47Å; F483-I492 HydrophobicContact CZ-CG2 3.76Å; V487-I492 HydrophobicContact CB-CD1 4.12Å; V487-I492 HydrophobicContact CG2-CD1 3.63Å; N488-I492 PolarHBondContact O-N 3.43Å; I492-W494 PolarHBondContact O-N 3.35Å; I492-N495 PolarHBondContact O-N 3.12Å; I492-L496 HydrophobicContact CG2-CD1 3.94Å; I492-L496 WeakPolarHBondContact O-CB 3.38Å; I492-L496 WeakPolarHBondContact O-CG 3.44Å; I492-L496 PolarHBondContact O-N 2.79Å
493	C	94.8	Very high	91.3	Very high	13 Å²	13	74.4 Å²	74.4	9%	0.088	35%	0.353	C	S	.	.	H	α-helix	trans	-59.1	-45.1	175	-163.8	0	0	0	0	112.3	L437 I489 K490 E491 L496 Q497 P508 V510	L437-C493 HydrophobicContact CD2-CB 3.64Å; I489-C493 VanDerWaalsContact O-CB 3.29Å; I489-C493 WeakPolarHBondContact O-CB 3.5Å; I489-C493 PolarHBondContact O-N 3.29Å; K490-C493 WeakPolarHBondContact O-CB 3.31Å; K490-C493 PolarHBondContact O-N 3.43Å; E491-C493 VanDerWaalsContact C-N 3.32Å; E491-C493 PolarHBondContact O-N 2.83Å; C493-L496 PolarHBondContact O-N 3.35Å; C493-Q497 PolarHBondContact O-N 2.98Å; C493-Q497 VanDerWaalsContact O-N 3.08Å; C493-P508 PolarHBondContact SG-O 3.37Å; C493-V510 HydrophobicContact CB-CG2 3.7Å
494	W	94	Very high	90.8	Very high	189 Å²	189	75.2 Å²	75.2	72%	0.716	36%	0.359	S	S	*	.	H	α-helix	trans	-65.8	-44.4	179.1	-177.1	-100.9	0	0	0	112.3	K490 E491 I492 L496 Q497	K490-W494 WeakPolarHBondContact O-CB 3.34Å; K490-W494 PolarHBondContact O-N 3.44Å; E491-W494 PolarHBondContact O-N 2.88Å; I492-W494 PolarHBondContact O-N 3.35Å; W494-L496 VanDerWaalsContact C-N 3.28Å; W494-L496 PolarHBondContact O-N 2.8Å; W494-Q497 VanDerWaalsContact O-CB 3.24Å; W494-Q497 WeakPolarHBondContact O-CB 3.35Å; W494-Q497 PolarHBondContact O-N 3Å; W494-Q497 VanDerWaalsContact O-N 3.12Å
495	N	92.1	Very high	90.5	Very high	88 Å²	88	76.9 Å²	76.9	47%	0.471	37%	0.365	S	S	.	.	H	α-helix	trans	-65.6	-30.1	178.9	-67.7	-25.4	0	0	0	112.7	Y458 E491 I492 I499	Y458-N495 HydrophobicContact CE1-CB 3.95Å; E491-N495 WeakPolarHBondContact O-CB 3.46Å; E491-N495 PolarHBondContact O-N 3.47Å; E491-N495 PolarHBondContact O-ND2 3.24Å; I492-N495 PolarHBondContact O-N 3.12Å; N495-I499 WeakPolarHBondContact O-CD1 3.45Å
496	L	91.6	Very high	90.3	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-84.8	-13.3	174.2	-70.3	173	0	0	0	114	L437 M439 L454 Y458 I492 C493 W494 N498 I499 P508	L437-L496 HydrophobicContact CD1-CD1 3.54Å; M439-L496 HydrophobicContact CE-CD1 4.47Å; L454-L496 HydrophobicContact CD1-CD2 3.73Å; L454-L496 HydrophobicContact CD2-CD2 4.08Å; L454-L496 HydrophobicContact CG-CD2 3.89Å; Y458-L496 HydrophobicContact CE2-CD1 4.37Å; Y458-L496 HydrophobicContact CE2-CD2 3.67Å; Y458-L496 HydrophobicContact CE2-CG 3.98Å; I492-L496 HydrophobicContact CG2-CD1 3.94Å; I492-L496 WeakPolarHBondContact O-CB 3.38Å; I492-L496 WeakPolarHBondContact O-CG 3.44Å; I492-L496 PolarHBondContact O-N 2.79Å; C493-L496 PolarHBondContact O-N 3.35Å; W494-L496 VanDerWaalsContact C-N 3.28Å; W494-L496 PolarHBondContact O-N 2.8Å; L496-N498 VanDerWaalsContact C-N 3.35Å; L496-N498 PolarHBondContact O-N 3.41Å; L496-I499 HydrophobicContact CD2-CD1 4.18Å; L496-I499 PolarHBondContact O-N 2.84Å; L496-P508 HydrophobicContact CB-CG 3.81Å
497	Q	90.4	Very high	90.2	Very high	58 Å²	58	72.2 Å²	72.2	27%	0.271	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-42.1	-169.3	179.1	57	58	0	0	113.9	C493 W494 P508	C493-Q497 PolarHBondContact O-N 2.98Å; C493-Q497 VanDerWaalsContact O-N 3.08Å; W494-Q497 VanDerWaalsContact O-CB 3.24Å; W494-Q497 WeakPolarHBondContact O-CB 3.35Å; W494-Q497 PolarHBondContact O-N 3Å; W494-Q497 VanDerWaalsContact O-N 3.12Å; Q497-P508 PolarHBondContact OE1-O 2.86Å
498	N	85.3	Confident	90.3	Very high	131 Å²	131	71.7 Å²	71.7	70%	0.701	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	11.7	-174.7	-61	-35.6	0	0	0	112.9	L496	L496-N498 VanDerWaalsContact C-N 3.35Å; L496-N498 PolarHBondContact O-N 3.41Å
499	I	88	Confident	90.3	Very high	50 Å²	50	69.7 Å²	69.7	26%	0.256	34%	0.337	S	S	.	.			trans	-87.2	128.6	178.6	-63.1	-174.2	0	0	0	109.5	L454 N495 L496 L506	L454-I499 HydrophobicContact CD1-CD1 4.18Å; L454-I499 HydrophobicContact CD1-CG2 4.25Å; L454-I499 HydrophobicContact CD2-CG2 4.28Å; N495-I499 WeakPolarHBondContact O-CD1 3.45Å; L496-I499 HydrophobicContact CD2-CD1 4.18Å; L496-I499 PolarHBondContact O-N 2.84Å; I499-L506 HydrophobicContact CG2-CD1 4.47Å
500	R	88	Confident	90.3	Very high	159 Å²	159	72.3 Å²	72.3	60%	0.6	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	137.4	170.4	-59.6	-169.5	171.2	177.7	-3.5	109.9	C504 E505	R500-C504 CarbonylContact C-O 3.44Å; R500-C504 VanDerWaalsContact CA-O 3.24Å; R500-C504 WeakPolarHBondContact CA-O 3.35Å; R500-E505 HydrophobicContact CG-CB 4.1Å; R500-E505 HydrophobicContact CG-CG 4.3Å; R500-E505 IonicContact CZ-OE2 2.73Å; R500-E505 VanDerWaalsContact CZ-OE2 3.25Å; R500-E505 IonicContact NE-OE2 3.54Å; R500-E505 PolarHBondContact NE-OE2 2.86Å; R500-E505 IonicContact NH2-OE2 3.58Å; R500-E505 PolarHBondContact NH2-OE2 3.5Å
501	L	86.7	Confident	90.3	Very high	29 Å²	29	67.2 Å²	67.2	15%	0.152	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113.6	168.6	-91.2	173.7	0	0	0	107.4	I446 E450 I451 L454 D503 C504 L506	I446-L501 HydrophobicContact CD1-CB 4.03Å; I446-L501 WeakPolarHBondContact CD1-O 3.34Å; I446-L501 HydrophobicContact CG2-CD1 4.21Å; E450-L501 HydrophobicContact CB-CD1 4.49Å; E450-L501 HydrophobicContact CB-CD2 4.36Å; I451-L501 HydrophobicContact CG1-CD1 3.92Å; L454-L501 HydrophobicContact CD2-CD1 3.82Å; L454-L501 HydrophobicContact CD2-CG 4.16Å; L501-D503 PolarHBondContact O-N 2.79Å; L501-C504 PolarHBondContact N-O 2.63Å; L501-C504 WeakPolarHBondContact O-CB 3.2Å; L501-C504 PolarHBondContact O-N 2.94Å; L501-L506 HydrophobicContact CB-CD2 4.34Å; L501-L506 HydrophobicContact CD1-CD1 4.23Å; L501-L506 HydrophobicContact CD1-CD2 4.21Å; L501-L506 HydrophobicContact CG-CD1 4.41Å
502	R	85.1	Confident	90.2	Very high	133 Å²	133	71.7 Å²	71.7	50%	0.502	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	-130.6	-162.4	-46.1	-176.4	-164.1	167	9.7	107.8	S445 E450 C504	S445-R502 PolarHBondContact O-NH1 3.31Å; S445-R502 PolarHBondContact O-NH2 2.83Å; E450-R502 IonicContact OE1-CZ 3.77Å; E450-R502 IonicContact OE1-NE 3.34Å; E450-R502 PolarHBondContact OE1-NE 2.72Å; E450-R502 IonicContact OE1-NH2 2.79Å; E450-R502 PolarHBondContact OE1-NH2 3.35Å; E450-R502 IonicContact OE2-CZ 3.69Å; E450-R502 IonicContact OE2-NH2 3.99Å; E450-R502 PolarHBondContact OE2-NH2 2.78Å; R502-C504 VanDerWaalsContact C-N 3.34Å
503	D	81.9	Confident	89.9	Confident	138 Å²	138	75 Å²	75	74%	0.738	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.4	179.5	-49.8	-77.1	0	0	0	114.2	L501	L501-D503 PolarHBondContact O-N 2.79Å
504	C	85.5	Confident	89.6	Confident	17 Å²	17	77.2 Å²	77.2	12%	0.115	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.5	-176.3	-165.1	0	0	0	0	112.1	S441 A443 I446 R500 L501 R502	S441-C504 PolarHBondContact O-SG 2.73Å; S441-C504 VanDerWaalsContact O-SG 3.42Å; A443-C504 HydrophobicContact CB-CB 4.36Å; I446-C504 HydrophobicContact CD1-CB 3.39Å; R500-C504 CarbonylContact C-O 3.44Å; R500-C504 VanDerWaalsContact CA-O 3.24Å; R500-C504 WeakPolarHBondContact CA-O 3.35Å; L501-C504 PolarHBondContact N-O 2.63Å; L501-C504 WeakPolarHBondContact O-CB 3.2Å; L501-C504 PolarHBondContact O-N 2.94Å; R502-C504 VanDerWaalsContact C-N 3.34Å
505	E	88.6	Confident	88.9	Confident	85 Å²	85	73 Å²	73	40%	0.397	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	123	171.5	-169	171	117.3	0	0	111.1	R500	R500-E505 HydrophobicContact CG-CB 4.1Å; R500-E505 HydrophobicContact CG-CG 4.3Å; R500-E505 IonicContact CZ-OE2 2.73Å; R500-E505 VanDerWaalsContact CZ-OE2 3.25Å; R500-E505 IonicContact NE-OE2 3.54Å; R500-E505 PolarHBondContact NE-OE2 2.86Å; R500-E505 IonicContact NH2-OE2 3.58Å; R500-E505 PolarHBondContact NH2-OE2 3.5Å
506	L	86.1	Confident	88.7	Confident	1 Å²	1	78.4 Å²	78.4	1%	0.005	39%	0.393	C	S	.	.			trans	-73.5	-31.6	-169.9	-60.3	176.5	0	0	0	113.3	M439 I442 L454 I499 L501 P508	M439-L506 WeakPolarHBondContact CB-O 3.49Å; M439-L506 HydrophobicContact CE-CB 4.37Å; M439-L506 HydrophobicContact CE-CD1 4.3Å; M439-L506 HydrophobicContact CG-CB 4.43Å; M439-L506 HydrophobicContact SD-CB 4.03Å; M439-L506 HydrophobicContact SD-CD1 4.46Å; M439-L506 HydrophobicContact SD-CD2 4.17Å; M439-L506 HydrophobicContact SD-CG 4.46Å; I442-L506 HydrophobicContact CD1-CD2 3.52Å; L454-L506 HydrophobicContact CD2-CD1 3.4Å; I499-L506 HydrophobicContact CG2-CD1 4.47Å; L501-L506 HydrophobicContact CB-CD2 4.34Å; L501-L506 HydrophobicContact CD1-CD1 4.23Å; L501-L506 HydrophobicContact CD1-CD2 4.21Å; L501-L506 HydrophobicContact CG-CD1 4.41Å; L506-P508 VanDerWaalsContact C-CD 3.49Å
507	A	89	Confident	88.8	Confident	48 Å²	48	80.1 Å²	80.1	40%	0.397	40%	0.4	S	S	.	.			trans	37.3	56.2	-179.3	0	0	0	0	0	114.1
508	P	94.3	Very high	89	Confident	5 Å²	5	78 Å²	78	3%	0.032	39%	0.391	C	S	.	.			trans	-63	141.5	-178.9	28.1	-36.8	0	0	0	112	L437 F438 M439 C493 L496 Q497 L506	L437-P508 HydrophobicContact CB-CB 4.43Å; L437-P508 HydrophobicContact CD1-CB 4.32Å; F438-P508 WeakPolarHBondContact O-CA 3.17Å; M439-P508 HydrophobicContact CE-CB 4.23Å; M439-P508 HydrophobicContact CG-CB 4.01Å; C493-P508 PolarHBondContact SG-O 3.37Å; L496-P508 HydrophobicContact CB-CG 3.81Å; Q497-P508 PolarHBondContact OE1-O 2.86Å; L506-P508 VanDerWaalsContact C-CD 3.49Å
509	G	95.3	Very high	89.5	Confident	34 Å²	34	76.7 Å²	76.7	35%	0.351	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.7	162.7	0	0	0	0	0	110.8	L437 F438 N511	L437-G509 CarbonylContact C-O 3.6Å; L437-G509 WeakPolarHBondContact CA-O 3.48Å; F438-G509 PolarHBondContact N-O 2.85Å; F438-G509 PolarHBondContact O-N 2.84Å; G509-N511 PolarHBondContact O-N 3.44Å
510	V	96.1	Very high	89.9	Confident	61 Å²	61	78.7 Å²	78.7	37%	0.37	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	119.2	169.8	-179.9	0	0	0	0	108.8	L437 I489 K490 C493	L437-V510 HydrophobicContact CD2-CG2 4.14Å; I489-V510 HydrophobicContact CG1-CG1 4.27Å; I489-V510 HydrophobicContact CG2-CG1 3.87Å; I489-V510 HydrophobicContact CG2-CG2 4.47Å; K490-V510 HydrophobicContact CG-CG2 4.43Å; C493-V510 HydrophobicContact CB-CG2 3.7Å
511	N	94.4	Very high	90.2	Very high	45 Å²	45	72.5 Å²	72.5	24%	0.241	37%	0.367	C	S	.	.			trans	-72.6	152.7	175.6	-173.4	32.6	0	0	0	109.8	S436 F438 G509	S436-N511 VanDerWaalsContact O-CB 3.3Å; S436-N511 WeakPolarHBondContact O-CB 3.5Å; S436-N511 PolarHBondContact O-N 2.98Å; S436-N511 WeakPolarHBondContact OG-CB 3.43Å; S436-N511 PolarHBondContact OG-ND2 3.33Å; F438-N511 HydrophobicContact CB-CB 4.24Å; G509-N511 PolarHBondContact O-N 3.44Å
512	R	91.9	Very high	90.5	Very high	211 Å²	211	74.6 Å²	74.6	80%	0.796	38%	0.378	S	S	*	.			trans	-108.5	139	-177.7	-67.4	-176	65.1	178.7	0	111.4
513	D	88.8	Confident	90.8	Very high	79 Å²	79	68.4 Å²	68.4	42%	0.422	36%	0.356	S	S	.	.			trans	-55.7	149.1	174.8	-55.1	-13.7	0	0	0	111.6	R485 A515	R485-D513 IonicContact CZ-OD2 3.18Å; R485-D513 IonicContact NH1-OD1 2.88Å; R485-D513 PolarHBondContact NH1-OD1 2.88Å; R485-D513 IonicContact NH1-OD2 2.85Å; R485-D513 PolarHBondContact NH1-OD2 2.9Å; R485-D513 IonicContact NH2-OD2 3.65Å; R485-D513 PolarHBondContact NH2-OD2 3.37Å; D513-A515 PolarHBondContact O-N 2.79Å
514	L	87.7	Confident	91.3	Very high	61 Å²	61	62.4 Å²	62.4	32%	0.319	32%	0.323	S	S	.	.			trans	-72.3	89.1	-172.9	-70.3	174.3	0	0	0	112.2	R516 R517 N651 M655	L514-R516 PolarHBondContact O-N 3.43Å; L514-R517 HydrophobicContact CB-CG 3.67Å; L514-R517 HydrophobicContact CD1-CG 4.29Å; L514-N651 HydrophobicContact CD1-CB 4.21Å; L514-M655 HydrophobicContact CD1-CG 4.09Å; L514-M655 HydrophobicContact CD2-CG 4.5Å
515	A	81.3	Confident	91.7	Very high	100 Å²	100	61.6 Å²	61.6	83%	0.826	32%	0.318	S	S	*	.	S	Bend	trans	-59.8	-12.8	-177.8	0	0	0	0	0	116.1	D513	D513-A515 PolarHBondContact O-N 2.79Å
516	R	87	Confident	91.9	Very high	202 Å²	202	58.3 Å²	58.3	76%	0.762	30%	0.302	S	S	*	.			trans	-146.3	89.5	171.2	-68.3	-170.1	-178.8	-170.7	-1.4	110.1	L514	L514-R516 PolarHBondContact O-N 3.43Å
517	R	92.6	Very high	92.3	Very high	36 Å²	36	59 Å²	59	14%	0.136	31%	0.306	C	S	.	.			trans	-76.1	-53	177	-68.4	176.7	66.9	-170.3	5.5	112	D250 L514 C653 G654 M655 I656	D250-R517 IonicContact OD1-CZ 2.56Å; D250-R517 IonicContact OD1-NH1 3.61Å; D250-R517 PolarHBondContact OD1-NH1 3.3Å; D250-R517 IonicContact OD1-NH2 3.6Å; D250-R517 PolarHBondContact OD1-NH2 3.08Å; D250-R517 IonicContact OD2-CZ 3.87Å; D250-R517 IonicContact OD2-NH1 4Å; D250-R517 PolarHBondContact OD2-NH1 2.98Å; L514-R517 HydrophobicContact CB-CG 3.67Å; L514-R517 HydrophobicContact CD1-CG 4.29Å; R517-C653 PolarHBondContact NH2-O 2.92Å; R517-G654 WeakPolarHBondContact CB-O 3.34Å; R517-G654 VanDerWaalsContact CG-O 3.26Å; R517-G654 WeakPolarHBondContact CG-O 3.34Å; R517-G654 PolarHBondContact NE-O 2.78Å; R517-M655 WeakPolarHBondContact O-CA 3.49Å; R517-I656 PolarHBondContact O-N 2.98Å
518	V	95.8	Very high	92.4	Very high	14 Å²	14	59 Å²	59	9%	0.085	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	136.9	173.8	-175.1	0	0	0	0	109.6	I239 T242 I245 I246 I656 V658	I239-V518 HydrophobicContact CD1-CG1 3.93Å; T242-V518 HydrophobicContact CG2-CB 4.04Å; T242-V518 HydrophobicContact CG2-CG2 4.03Å; T242-V518 WeakPolarHBondContact OG1-CG1 3.45Å; I245-V518 HydrophobicContact CB-CG2 4.43Å; I245-V518 HydrophobicContact CG2-CG2 4.11Å; I246-V518 HydrophobicContact CD1-CG2 4.19Å; I246-V518 HydrophobicContact CG1-CG2 3.81Å; V518-I656 WeakPolarHBondContact CA-O 3.42Å; V518-I656 HydrophobicContact CB-CG2 4.42Å; V518-I656 HydrophobicContact CG2-CG2 3.92Å; V518-V658 HydrophobicContact CG1-CB 4.31Å; V518-V658 HydrophobicContact CG1-CG1 3.84Å; V518-V658 HydrophobicContact CG1-CG2 3.44Å; V518-V658 VanDerWaalsContact CG1-CG2 3.44Å
519	R	95.9	Very high	92.3	Very high	102 Å²	102	61.5 Å²	61.5	39%	0.385	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	139.3	-178.6	-64.7	173.8	178.2	-168.1	2.5	110.5	M655 I656 H657 V658	R519-M655 VanDerWaalsContact CZ-SD 3.57Å; R519-M655 PolarHBondContact NH2-SD 3.37Å; R519-I656 PolarHBondContact N-O 2.99Å; R519-H657 WeakPolarHBondContact CD-NE2 3.44Å; R519-H657 CarbonylContact O-C 3.53Å; R519-H657 VanDerWaalsContact O-CA 3.24Å; R519-H657 WeakPolarHBondContact O-CA 3.43Å; R519-V658 WeakPolarHBondContact O-CG2 3.46Å; R519-V658 PolarHBondContact O-N 3.01Å
520	N	95.2	Very high	92.3	Very high	93 Å²	93	59.9 Å²	59.9	50%	0.497	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	143.8	178.6	57.9	-47	0	0	0	113.2	I239 V658	I239-N520 HydrophobicContact CB-CB 4.21Å; I239-N520 HydrophobicContact CD1-CB 4.09Å; I239-N520 HydrophobicContact CG1-CB 4.06Å; N520-V658 CarbonylContact C-O 3.59Å; N520-V658 WeakPolarHBondContact CA-O 3.28Å
521	V	94.9	Very high	92.2	Very high	28 Å²	28	57 Å²	57	17%	0.17	27%	0.274	C	S	.	.			trans	-97.9	-168.7	159.9	-63.3	0	0	0	0	111.2	T525 Y638 H657 V658 G660	V521-T525 HydrophobicContact CG2-CG2 3.91Å; V521-Y638 HydrophobicContact CG2-CD1 4.07Å; V521-Y638 HydrophobicContact CG2-CG 4Å; V521-H657 HydrophobicContact CG1-CB 4.14Å; V521-V658 PolarHBondContact N-O 3.06Å; V521-G660 VanDerWaalsContact O-CA 3.28Å; V521-G660 WeakPolarHBondContact O-CA 3.46Å; V521-G660 PolarHBondContact O-N 3.33Å
522	N	93.3	Very high	92.2	Very high	73 Å²	73	56.7 Å²	56.7	39%	0.39	27%	0.269	S	S	.	.			trans	-68	135.7	178.1	-166.2	0.5	0	0	0	111.2	I524 T525 W675	N522-I524 VanDerWaalsContact ND2-CD1 3.27Å; N522-I524 WeakPolarHBondContact ND2-CD1 3.29Å; N522-I524 WeakPolarHBondContact ND2-CG1 3.41Å; N522-I524 PolarHBondContact O-N 2.84Å; N522-I524 VanDerWaalsContact O-N 3.12Å; N522-T525 PolarHBondContact O-N 3.38Å; N522-T525 PolarHBondContact O-OG1 3.13Å; N522-W675 HydrophobicContact CB-CE3 4.41Å; N522-W675 HydrophobicContact CB-CH2 3.76Å; N522-W675 HydrophobicContact CB-CZ3 3.64Å
523	G	91.4	Very high	92.3	Very high	3 Å²	3	47.8 Å²	47.8	3%	0.031	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-67.5	-7.9	-177.7	0	0	0	0	0	115.2	T525 Q526 P661	G523-T525 PolarHBondContact O-N 3.26Å; G523-T525 VanDerWaalsContact O-N 3.13Å; G523-Q526 WeakPolarHBondContact O-CB 3.32Å; G523-Q526 PolarHBondContact O-N 3.16Å; G523-P661 WeakPolarHBondContact CA-O 3.42Å
524	I	92.8	Very high	92.6	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.062	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-53.1	-29	167.9	-55.9	-174	0	0	0	111.1	N522 Q526 H527 V530 P663 I667 W675	N522-I524 VanDerWaalsContact ND2-CD1 3.27Å; N522-I524 WeakPolarHBondContact ND2-CD1 3.29Å; N522-I524 WeakPolarHBondContact ND2-CG1 3.41Å; N522-I524 PolarHBondContact O-N 2.84Å; N522-I524 VanDerWaalsContact O-N 3.12Å; I524-Q526 PolarHBondContact O-N 2.91Å; I524-Q526 VanDerWaalsContact O-N 3.11Å; I524-H527 VanDerWaalsContact O-CB 3.27Å; I524-H527 WeakPolarHBondContact O-CB 3.13Å; I524-H527 PolarHBondContact O-N 3.47Å; I524-V530 HydrophobicContact CG2-CG2 4.24Å; I524-P663 HydrophobicContact CG1-CG 4.31Å; I524-I667 HydrophobicContact CB-CD1 4.32Å; I524-I667 HydrophobicContact CD1-CG2 4.09Å; I524-I667 HydrophobicContact CG1-CD1 3.8Å; I524-I667 HydrophobicContact CG1-CG1 4.31Å; I524-I667 HydrophobicContact CG1-CG2 4.48Å; I524-I667 HydrophobicContact CG2-CD1 4.34Å; I524-W675 HydrophobicContact CG2-CB 4.33Å; I524-W675 HydrophobicContact CG2-CG 4.2Å
525	T	94.1	Very high	93	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-61.4	-10.5	173.4	52	0	0	0	0	115.6	V521 N522 G523 L531 Y638 R659 W675	V521-T525 HydrophobicContact CG2-CG2 3.91Å; N522-T525 PolarHBondContact O-N 3.38Å; N522-T525 PolarHBondContact O-OG1 3.13Å; G523-T525 PolarHBondContact O-N 3.26Å; G523-T525 VanDerWaalsContact O-N 3.13Å; T525-L531 VanDerWaalsContact O-CD2 3.31Å; T525-L531 WeakPolarHBondContact O-CD2 3.04Å; T525-Y638 HydrophobicContact CG2-CD1 4Å; T525-Y638 HydrophobicContact CG2-CE1 3.65Å; T525-R659 WeakPolarHBondContact O-CD 3.36Å; T525-W675 HydrophobicContact CG2-CH2 4.48Å; T525-W675 HydrophobicContact CG2-CZ2 3.46Å; T525-W675 VanDerWaalsContact CG2-CZ2 3.46Å
526	Q	92.5	Very high	93.7	Very high	16 Å²	16	41.9 Å²	41.9	8%	0.075	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-85.5	-12.5	171	-61.8	-161.3	30.9	0	0	113.5	G523 I524 L531 V612 K614 R659 G660	G523-Q526 WeakPolarHBondContact O-CB 3.32Å; G523-Q526 PolarHBondContact O-N 3.16Å; I524-Q526 PolarHBondContact O-N 2.91Å; I524-Q526 VanDerWaalsContact O-N 3.11Å; Q526-L531 WeakPolarHBondContact O-CD1 3.24Å; Q526-V612 HydrophobicContact CB-CG1 4.05Å; Q526-K614 HydrophobicContact CB-CG 4.41Å; Q526-R659 HydrophobicContact CG-CB 4.04Å; Q526-G660 PolarHBondContact NE2-O 2.86Å
527	H	93.8	Very high	94.1	Very high	16 Å²	16	32.3 Å²	32.3	7%	0.074	15%	0.151	C	C	.	.	S	Bend	trans	-70.7	130.8	-174.7	-179.4	-125.2	0	0	0	112	I524 Q529 V530 L531 V612 E613	I524-H527 VanDerWaalsContact O-CB 3.27Å; I524-H527 WeakPolarHBondContact O-CB 3.13Å; I524-H527 PolarHBondContact O-N 3.47Å; H527-Q529 VanDerWaalsContact C-N 3.3Å; H527-Q529 PolarHBondContact O-N 2.85Å; H527-Q529 VanDerWaalsContact O-N 3.1Å; H527-V530 HydrophobicContact CB-CG2 4.21Å; H527-V530 WeakPolarHBondContact O-CA 3.43Å; H527-V530 WeakPolarHBondContact O-CB 3.43Å; H527-V530 PolarHBondContact O-N 2.89Å; H527-L531 PolarHBondContact O-N 3.12Å; H527-V612 HydrophobicContact CB-CG1 4.49Å; H527-E613 WeakPolarHBondContact CA-O 3.48Å
528	K	91.9	Very high	94.3	Very high	49 Å²	49	30.6 Å²	30.6	21%	0.213	15%	0.145	C	C	.	.	H	α-helix	trans	-39	-48.7	179.6	-165.9	-179.9	-163.5	168.2	0	115.2	L531 R532 E613 D615 L618	K528-L531 PolarHBondContact O-N 3.3Å; K528-R532 PolarHBondContact O-N 3.09Å; K528-R532 VanDerWaalsContact O-N 3.14Å; K528-E613 WeakPolarHBondContact CD-OE1 3.44Å; K528-E613 WeakPolarHBondContact CE-OE1 3.49Å; K528-E613 PolarHBondContact N-O 3.26Å; K528-E613 IonicContact NZ-OE1 2.69Å; K528-E613 PolarHBondContact NZ-OE1 3.04Å; K528-E613 IonicContact NZ-OE2 3.35Å; K528-E613 PolarHBondContact NZ-OE2 2.82Å; K528-D615 HydrophobicContact CG-CB 4.28Å; K528-L618 HydrophobicContact CG-CD1 4.17Å
529	Q	91.9	Very high	94.3	Very high	56 Å²	56	30.3 Å²	30.3	26%	0.262	14%	0.143	S	C	.	.	H	α-helix	trans	-62.7	-46.5	178.1	-168.5	-166.1	-39.5	0	0	112	H527 L531 R532 N533 V672 E676	H527-Q529 VanDerWaalsContact C-N 3.3Å; H527-Q529 PolarHBondContact O-N 2.85Å; H527-Q529 VanDerWaalsContact O-N 3.1Å; Q529-L531 PolarHBondContact O-N 2.97Å; Q529-R532 PolarHBondContact O-N 3.16Å; Q529-N533 PolarHBondContact O-N 3.42Å; Q529-V672 HydrophobicContact CB-CG1 4.4Å; Q529-V672 HydrophobicContact CG-CG1 4.46Å; Q529-E676 WeakPolarHBondContact CG-OE1 3.3Å; Q529-E676 PolarHBondContact NE2-OE1 2.87Å; Q529-E676 PolarHBondContact NE2-OE2 3.48Å
530	V	94.2	Very high	94.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.2	-39	179.3	-175.7	0	0	0	0	110.6	I524 H527 R532 N533 D534 V672 E676	I524-V530 HydrophobicContact CG2-CG2 4.24Å; H527-V530 HydrophobicContact CB-CG2 4.21Å; H527-V530 WeakPolarHBondContact O-CA 3.43Å; H527-V530 WeakPolarHBondContact O-CB 3.43Å; H527-V530 PolarHBondContact O-N 2.89Å; V530-R532 PolarHBondContact O-N 2.93Å; V530-N533 PolarHBondContact O-N 3.3Å; V530-D534 WeakPolarHBondContact O-CB 3.29Å; V530-D534 PolarHBondContact O-N 2.95Å; V530-V672 HydrophobicContact CG2-CG1 3.78Å; V530-E676 HydrophobicContact CG2-CG 4.49Å
531	L	94.3	Very high	94.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.1	-45	174.1	-68.3	174.5	0	0	0	111.6	T525 Q526 H527 K528 Q529 D534 I535 L618 A619 L622	T525-L531 VanDerWaalsContact O-CD2 3.31Å; T525-L531 WeakPolarHBondContact O-CD2 3.04Å; Q526-L531 WeakPolarHBondContact O-CD1 3.24Å; H527-L531 PolarHBondContact O-N 3.12Å; K528-L531 PolarHBondContact O-N 3.3Å; Q529-L531 PolarHBondContact O-N 2.97Å; L531-D534 PolarHBondContact O-N 2.79Å; L531-I535 VanDerWaalsContact O-CG1 3.24Å; L531-I535 WeakPolarHBondContact O-CG1 3.42Å; L531-I535 PolarHBondContact O-N 2.68Å; L531-L618 HydrophobicContact CB-CB 4.26Å; L531-L618 HydrophobicContact CD1-CB 4.39Å; L531-A619 HydrophobicContact CD1-CB 4.42Å; L531-L622 HydrophobicContact CD2-CD2 3.65Å
532	R	94.3	Very high	94.1	Very high	39 Å²	39	24.3 Å²	24.3	15%	0.147	11%	0.113	C	C	.	.	H	α-helix	trans	-64.9	-42.1	175.8	-64.7	-162.6	-164.1	106.8	-15	112.4	K528 Q529 V530 I535 K536 L578 E580 L618	K528-R532 PolarHBondContact O-N 3.09Å; K528-R532 VanDerWaalsContact O-N 3.14Å; Q529-R532 PolarHBondContact O-N 3.16Å; V530-R532 PolarHBondContact O-N 2.93Å; R532-I535 PolarHBondContact O-N 3.16Å; R532-K536 PolarHBondContact O-N 3.38Å; R532-K536 VanDerWaalsContact O-N 3.11Å; R532-L578 WeakPolarHBondContact O-CD2 3.26Å; R532-E580 IonicContact CZ-OE1 3.09Å; R532-E580 IonicContact NH1-OE1 2.67Å; R532-E580 PolarHBondContact NH1-OE1 3.46Å; R532-E580 IonicContact NH1-OE2 3.49Å; R532-E580 PolarHBondContact NH1-OE2 3.39Å; R532-E580 IonicContact NH2-OE1 2.73Å; R532-E580 PolarHBondContact NH2-OE1 2.72Å; R532-L618 HydrophobicContact CG-CD1 3.62Å; R532-L618 HydrophobicContact CG-CD2 4.36Å
533	N	94.6	Very high	94	Very high	25 Å²	25	26 Å²	26	13%	0.134	12%	0.119	C	C	.	.	H	α-helix	trans	-64.9	-40.1	176.5	-173.4	62.6	0	0	0	112	Q529 V530 K536 L537 E676	Q529-N533 PolarHBondContact O-N 3.42Å; V530-N533 PolarHBondContact O-N 3.3Å; N533-K536 WeakPolarHBondContact O-CB 3.38Å; N533-K536 PolarHBondContact O-N 2.9Å; N533-L537 WeakPolarHBondContact ND2-CD1 3.26Å; N533-L537 WeakPolarHBondContact O-CG 3.5Å; N533-L537 PolarHBondContact O-N 2.98Å; N533-E676 HydrophobicContact CB-CG 4.31Å
534	D	96	Very high	94	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-39.3	175.5	-81.1	-16.4	0	0	0	111.8	V530 L531 K536 L537 A538 L622 Y637 Y638	V530-D534 WeakPolarHBondContact O-CB 3.29Å; V530-D534 PolarHBondContact O-N 2.95Å; L531-D534 PolarHBondContact O-N 2.79Å; D534-K536 VanDerWaalsContact C-N 3.35Å; D534-K536 PolarHBondContact O-N 3.23Å; D534-L537 PolarHBondContact O-N 2.66Å; D534-A538 WeakPolarHBondContact O-CB 3.38Å; D534-A538 PolarHBondContact O-N 3.04Å; D534-L622 HydrophobicContact CB-CD1 3.9Å; D534-L622 HydrophobicContact CB-CD2 3.67Å; D534-L622 HydrophobicContact CB-CG 4.47Å; D534-Y637 WeakPolarHBondContact CA-OH 3.49Å; D534-Y637 HydrophobicContact CB-CE1 4.13Å; D534-Y637 WeakPolarHBondContact OD1-CE1 3.27Å; D534-Y637 PolarHBondContact OD1-OH 3.41Å; D534-Y638 WeakPolarHBondContact OD2-CE1 3.45Å
535	I	96.1	Very high	93.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.5	-46.8	173.3	-70.3	164	0	0	0	110.4	L531 R532 A538 A539 I574 L578 L618 V621 L622 L625	L531-I535 VanDerWaalsContact O-CG1 3.24Å; L531-I535 WeakPolarHBondContact O-CG1 3.42Å; L531-I535 PolarHBondContact O-N 2.68Å; R532-I535 PolarHBondContact O-N 3.16Å; I535-A538 PolarHBondContact O-N 2.86Å; I535-A539 VanDerWaalsContact O-CB 3.26Å; I535-A539 WeakPolarHBondContact O-CB 3.36Å; I535-A539 PolarHBondContact O-N 3.1Å; I535-I574 HydrophobicContact CG2-CD1 3.77Å; I535-I574 HydrophobicContact CG2-CG1 3.86Å; I535-L578 HydrophobicContact CB-CD2 3.97Å; I535-L578 HydrophobicContact CG2-CD2 3.75Å; I535-L578 HydrophobicContact CG2-CG 4.32Å; I535-L618 HydrophobicContact CD1-CB 4.14Å; I535-L618 HydrophobicContact CD1-CD2 3.92Å; I535-V621 HydrophobicContact CD1-CB 4.37Å; I535-V621 HydrophobicContact CD1-CG1 4.12Å; I535-V621 HydrophobicContact CG1-CG1 4.4Å; I535-V621 HydrophobicContact CG2-CG1 4.39Å; I535-L622 HydrophobicContact CD1-CB 4.38Å; I535-L622 HydrophobicContact CG1-CB 3.76Å; I535-L622 HydrophobicContact CG1-CD1 4.04Å; I535-L622 HydrophobicContact CG1-CG 4.38Å; I535-L625 HydrophobicContact CG2-CD1 4.06Å
536	K	95.3	Very high	93.9	Very high	114 Å²	114	27.7 Å²	27.7	50%	0.496	13%	0.132	S	C	.	.	H	α-helix	trans	-61	-45.3	178	173.5	-170.7	170.3	-162	0	111.9	R532 N533 D534 K540 L578	R532-K536 PolarHBondContact O-N 3.38Å; R532-K536 VanDerWaalsContact O-N 3.11Å; N533-K536 WeakPolarHBondContact O-CB 3.38Å; N533-K536 PolarHBondContact O-N 2.9Å; D534-K536 VanDerWaalsContact C-N 3.35Å; D534-K536 PolarHBondContact O-N 3.23Å; K536-K540 VanDerWaalsContact O-CB 3.31Å; K536-K540 WeakPolarHBondContact O-CB 3.29Å; K536-K540 PolarHBondContact O-N 3.3Å; K536-K540 VanDerWaalsContact O-N 3.1Å; K536-L578 HydrophobicContact CB-CD1 4.06Å; K536-L578 HydrophobicContact CB-CD2 3.89Å
537	L	95.3	Very high	93.7	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-70.2	-41.6	179.2	-71.3	174.2	0	0	0	112.1	N533 D534 K540 L541 Y637 E680 L683	N533-L537 WeakPolarHBondContact ND2-CD1 3.26Å; N533-L537 WeakPolarHBondContact O-CG 3.5Å; N533-L537 PolarHBondContact O-N 2.98Å; D534-L537 PolarHBondContact O-N 2.66Å; L537-K540 PolarHBondContact O-N 3.47Å; L537-L541 WeakPolarHBondContact O-CB 3.16Å; L537-L541 PolarHBondContact O-N 3.07Å; L537-Y637 HydrophobicContact CB-CE2 4.43Å; L537-E680 HydrophobicContact CD1-CB 4.28Å; L537-E680 HydrophobicContact CD2-CB 4.47Å; L537-E680 HydrophobicContact CD2-CG 4.06Å; L537-L683 HydrophobicContact CB-CD1 4.29Å; L537-L683 HydrophobicContact CD1-CD1 4.11Å
538	A	96.7	Very high	93.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-45.9	175.9	0	0	0	0	0	111.8	D534 I535 K540 L541 I542 L622 L625 L626 L629 Y637	D534-A538 WeakPolarHBondContact O-CB 3.38Å; D534-A538 PolarHBondContact O-N 3.04Å; I535-A538 PolarHBondContact O-N 2.86Å; A538-K540 PolarHBondContact O-N 2.91Å; A538-L541 PolarHBondContact O-N 3.43Å; A538-L541 VanDerWaalsContact O-N 3.16Å; A538-I542 VanDerWaalsContact O-CG1 3.26Å; A538-I542 WeakPolarHBondContact O-CG1 3.19Å; A538-I542 PolarHBondContact O-N 3.2Å; A538-L622 HydrophobicContact CB-CD1 4.27Å; A538-L625 HydrophobicContact CB-CB 4Å; A538-L625 HydrophobicContact CB-CD1 3.93Å; A538-L626 HydrophobicContact CB-CD2 3.9Å; A538-L629 HydrophobicContact CB-CD1 4.04Å; A538-Y637 HydrophobicContact CB-CE2 4.29Å
539	A	95.3	Very high	93.1	Very high	7 Å²	7	37.1 Å²	37.1	6%	0.058	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-44.4	176.5	0	0	0	0	0	112.1	I535 L541 I542 H543 L571 I574 L625	I535-A539 VanDerWaalsContact O-CB 3.26Å; I535-A539 WeakPolarHBondContact O-CB 3.36Å; I535-A539 PolarHBondContact O-N 3.1Å; A539-L541 VanDerWaalsContact C-N 3.3Å; A539-L541 PolarHBondContact O-N 2.85Å; A539-I542 PolarHBondContact O-N 3.49Å; A539-H543 PolarHBondContact O-CD2 3.36Å; A539-H543 PolarHBondContact O-N 3.07Å; A539-L571 HydrophobicContact CB-CD2 4.09Å; A539-I574 HydrophobicContact CB-CG1 4.29Å; A539-I574 HydrophobicContact CB-CG2 4.44Å; A539-L625 HydrophobicContact CB-CD1 4.29Å
540	K	93.5	Very high	93	Very high	96 Å²	96	37.2 Å²	37.2	42%	0.417	18%	0.18	S	C	.	.	H	α-helix	trans	-58.6	-40.9	173.3	-173.8	-166	173.8	-168.8	0	111.7	K536 L537 A538 A544 E680 F687	K536-K540 VanDerWaalsContact O-CB 3.31Å; K536-K540 WeakPolarHBondContact O-CB 3.29Å; K536-K540 PolarHBondContact O-N 3.3Å; K536-K540 VanDerWaalsContact O-N 3.1Å; L537-K540 PolarHBondContact O-N 3.47Å; A538-K540 PolarHBondContact O-N 2.91Å; K540-A544 PolarHBondContact O-N 2.61Å; K540-E680 IonicContact NZ-OE1 2.79Å; K540-F687 HydrophobicContact CB-CE1 4.15Å; K540-F687 HydrophobicContact CB-CZ 4.36Å; K540-F687 HydrophobicContact CD-CE1 3.78Å; K540-F687 HydrophobicContact CD-CZ 3.83Å; K540-F687 HydrophobicContact CG-CE1 3.68Å; K540-F687 HydrophobicContact CG-CZ 4.14Å
541	L	94	Very high	92.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-71	-41	179.7	-174.6	60.1	0	0	0	111.8	L537 A538 A539 A544 L545 L629 V635 L686 F687	L537-L541 WeakPolarHBondContact O-CB 3.16Å; L537-L541 PolarHBondContact O-N 3.07Å; A538-L541 PolarHBondContact O-N 3.43Å; A538-L541 VanDerWaalsContact O-N 3.16Å; A539-L541 VanDerWaalsContact C-N 3.3Å; A539-L541 PolarHBondContact O-N 2.85Å; L541-A544 PolarHBondContact O-N 2.45Å; L541-L545 HydrophobicContact CD1-CD1 3.94Å; L541-L545 HydrophobicContact CD1-CG 4.11Å; L541-L545 HydrophobicContact CD2-CD1 4.49Å; L541-L545 HydrophobicContact CG-CD1 3.79Å; L541-L545 HydrophobicContact CG-CG 4.36Å; L541-L545 WeakPolarHBondContact O-CB 3.47Å; L541-L545 VanDerWaalsContact O-CG 3.26Å; L541-L545 WeakPolarHBondContact O-CG 3.04Å; L541-L545 PolarHBondContact O-N 3.4Å; L541-L629 HydrophobicContact CB-CD2 4.46Å; L541-L629 HydrophobicContact CD2-CD1 4.18Å; L541-L629 HydrophobicContact CD2-CD2 4.07Å; L541-L629 HydrophobicContact CG-CD2 3.99Å; L541-V635 HydrophobicContact CD2-CG1 4.28Å; L541-L686 HydrophobicContact CD1-CB 4.07Å; L541-L686 HydrophobicContact CD2-CD1 4.42Å; L541-F687 HydrophobicContact CB-CE1 3.83Å; L541-F687 HydrophobicContact CB-CZ 3.85Å; L541-F687 HydrophobicContact CD1-CD1 4.01Å; L541-F687 HydrophobicContact CD1-CE1 3.88Å; L541-F687 HydrophobicContact CD1-CE2 4.5Å; L541-F687 HydrophobicContact CD1-CG 4.39Å; L541-F687 HydrophobicContact CD1-CZ 4.13Å; L541-F687 HydrophobicContact CG-CE1 4.47Å
542	I	94.6	Very high	92.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-48.1	173.7	-67.3	166.3	0	0	0	110.2	A538 A539 A544 L545 D546 N568 I570 L571 L625 Y628 L629	A538-I542 VanDerWaalsContact O-CG1 3.26Å; A538-I542 WeakPolarHBondContact O-CG1 3.19Å; A538-I542 PolarHBondContact O-N 3.2Å; A539-I542 PolarHBondContact O-N 3.49Å; I542-A544 VanDerWaalsContact C-N 3.34Å; I542-A544 PolarHBondContact O-N 3.47Å; I542-L545 PolarHBondContact O-N 2.99Å; I542-D546 WeakPolarHBondContact CG2-OD2 3.27Å; I542-D546 VanDerWaalsContact O-CB 3.22Å; I542-D546 WeakPolarHBondContact O-CB 3.37Å; I542-D546 VanDerWaalsContact O-CG 3.29Å; I542-D546 PolarHBondContact O-N 3.1Å; I542-N568 WeakPolarHBondContact CG2-ND2 3.24Å; I542-I570 HydrophobicContact CD1-CD1 3.93Å; I542-L571 HydrophobicContact CB-CD1 4.42Å; I542-L571 HydrophobicContact CB-CD2 4.35Å; I542-L571 HydrophobicContact CD1-CD2 4.15Å; I542-L571 HydrophobicContact CG2-CD1 3.83Å; I542-L571 HydrophobicContact CG2-CD2 4.23Å; I542-L571 HydrophobicContact CG2-CG 4.31Å; I542-L625 HydrophobicContact CD1-CB 3.81Å; I542-L625 HydrophobicContact CD1-CD2 3.91Å; I542-L625 HydrophobicContact CD1-CG 4.33Å; I542-Y628 HydrophobicContact CD1-CD1 4.11Å; I542-Y628 HydrophobicContact CG1-CD1 4Å; I542-Y628 HydrophobicContact CG1-CE1 4.43Å; I542-Y628 HydrophobicContact CG2-CD1 3.98Å; I542-Y628 HydrophobicContact CG2-CE1 3.67Å; I542-L629 HydrophobicContact CD1-CG 4.16Å; I542-L629 HydrophobicContact CG1-CD1 4.24Å; I542-L629 HydrophobicContact CG1-CD2 3.59Å; I542-L629 HydrophobicContact CG1-CG 3.65Å
543	H	91.6	Very high	91	Very high	110 Å²	110	41.2 Å²	41.2	51%	0.509	20%	0.204	S	C	.	.	H	α-helix	trans	-54.8	-47.5	176.4	-80.1	-62.1	0	0	0	112.6	A539 E547 L571	A539-H543 PolarHBondContact O-CD2 3.36Å; A539-H543 PolarHBondContact O-N 3.07Å; H543-E547 WeakPolarHBondContact O-CB 3.36Å; H543-E547 PolarHBondContact O-N 3.26Å; H543-E547 VanDerWaalsContact O-N 3.08Å; H543-L571 VanDerWaalsContact CE1-CD1 3.46Å; H543-L571 WeakPolarHBondContact CE1-CD1 3.38Å
544	A	91.4	Very high	88.9	Confident	31 Å²	31	43.9 Å²	43.9	26%	0.256	23%	0.225	S	C	.	.	H	α-helix	trans	-66.7	-36.4	179.9	0	0	0	0	0	113.2	K540 L541 I542 K548 F687	K540-A544 PolarHBondContact O-N 2.61Å; L541-A544 PolarHBondContact O-N 2.45Å; I542-A544 VanDerWaalsContact C-N 3.34Å; I542-A544 PolarHBondContact O-N 3.47Å; A544-K548 VanDerWaalsContact O-CB 3.23Å; A544-K548 WeakPolarHBondContact O-CB 3.32Å; A544-K548 PolarHBondContact O-N 3.2Å; A544-F687 HydrophobicContact CB-CD1 4.35Å
545	L	91.8	Very high	86.7	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-79	-35.5	179.7	-67.3	174.6	0	0	0	112.7	L541 I542 K548 G549 L629 H633 V635	L541-L545 HydrophobicContact CD1-CD1 3.94Å; L541-L545 HydrophobicContact CD1-CG 4.11Å; L541-L545 HydrophobicContact CD2-CD1 4.49Å; L541-L545 HydrophobicContact CG-CD1 3.79Å; L541-L545 HydrophobicContact CG-CG 4.36Å; L541-L545 WeakPolarHBondContact O-CB 3.47Å; L541-L545 VanDerWaalsContact O-CG 3.26Å; L541-L545 WeakPolarHBondContact O-CG 3.04Å; L541-L545 PolarHBondContact O-N 3.4Å; I542-L545 PolarHBondContact O-N 2.99Å; L545-K548 HydrophobicContact CD2-CD 3.76Å; L545-K548 PolarHBondContact O-N 3.44Å; L545-G549 PolarHBondContact O-N 3.09Å; L545-L629 HydrophobicContact CD1-CD2 3.75Å; L545-H633 VanDerWaalsContact C-CE1 3.46Å; L545-H633 HydrophobicContact CD1-CB 3.96Å; L545-H633 PolarHBondContact O-CE1 3.47Å; L545-V635 HydrophobicContact CD1-CG2 3.96Å
546	D	92.4	Very high	84.1	Confident	13 Å²	13	56.6 Å²	56.6	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-65.7	-37.7	173.4	-78.6	0.5	0	0	0	111.4	I542 D550 L551 W552 N568 Y628 H633	I542-D546 WeakPolarHBondContact CG2-OD2 3.27Å; I542-D546 VanDerWaalsContact O-CB 3.22Å; I542-D546 WeakPolarHBondContact O-CB 3.37Å; I542-D546 VanDerWaalsContact O-CG 3.29Å; I542-D546 PolarHBondContact O-N 3.1Å; D546-D550 PolarHBondContact O-N 3.33Å; D546-L551 PolarHBondContact O-N 3.11Å; D546-W552 PolarHBondContact OD2-NE1 3.03Å; D546-W552 VanDerWaalsContact OD2-NE1 3.07Å; D546-N568 PolarHBondContact OD2-ND2 3.32Å; D546-Y628 WeakPolarHBondContact OD1-CE1 3.21Å; D546-Y628 PolarHBondContact OD1-OH 2.66Å; D546-Y628 PolarHBondContact OD2-OH 2.61Å; D546-H633 IonicContact OD1-CD2 2.74Å; D546-H633 IonicContact OD1-CE1 3.05Å; D546-H633 IonicContact OD1-NE2 2.69Å; D546-H633 PolarHBondContact OD1-NE2 2.95Å
547	E	89.7	Confident	81.3	Confident	155 Å²	155	60.3 Å²	60.3	72%	0.724	31%	0.308	S	S	*	.	H	α-helix	trans	-70.7	-44.3	172.8	-174.8	167.4	-138.5	0	0	111.9	H543 G549 D550	H543-E547 WeakPolarHBondContact O-CB 3.36Å; H543-E547 PolarHBondContact O-N 3.26Å; H543-E547 VanDerWaalsContact O-N 3.08Å; E547-G549 VanDerWaalsContact C-N 3.26Å; E547-G549 PolarHBondContact O-N 3.47Å; E547-D550 PolarHBondContact O-N 3.16Å
548	K	86.8	Confident	78.6	Confident	111 Å²	111	64.7 Å²	64.7	48%	0.483	36%	0.355	S	S	.	.	H	α-helix	trans	-56.8	-37.4	171.5	173.3	-167.2	171.3	-168	0	112.4	A544 L545 E642	A544-K548 VanDerWaalsContact O-CB 3.23Å; A544-K548 WeakPolarHBondContact O-CB 3.32Å; A544-K548 PolarHBondContact O-N 3.2Å; L545-K548 HydrophobicContact CD2-CD 3.76Å; L545-K548 PolarHBondContact O-N 3.44Å; K548-E642 IonicContact NZ-OE1 2.77Å; K548-E642 PolarHBondContact NZ-OE1 3.3Å; K548-E642 IonicContact NZ-OE2 3.62Å
549	G	86.1	Confident	75.7	Confident	13 Å²	13	68.3 Å²	68.3	13%	0.134	38%	0.384	C	S	.	.	H	α-helix	trans	-87.7	-10.8	-179	0	0	0	0	0	115.1	L545 E547 L551	L545-G549 PolarHBondContact O-N 3.09Å; E547-G549 VanDerWaalsContact C-N 3.26Å; E547-G549 PolarHBondContact O-N 3.47Å; G549-L551 PolarHBondContact O-N 3.25Å
550	D	88.8	Confident	73.1	Confident	57 Å²	57	78.1 Å²	78.1	31%	0.305	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	30.6	-176.8	-163.2	25.5	0	0	0	113.2	D546 E547 W552 S553 K555	D546-D550 PolarHBondContact O-N 3.33Å; E547-D550 PolarHBondContact O-N 3.16Å; D550-W552 VanDerWaalsContact C-N 3.35Å; D550-W552 PolarHBondContact O-N 3.11Å; D550-S553 VanDerWaalsContact OD1-CB 3.24Å; D550-S553 WeakPolarHBondContact OD1-CB 3.43Å; D550-S553 PolarHBondContact OD1-OG 2.66Å; D550-K555 IonicContact OD1-NZ 3.84Å; D550-K555 IonicContact OD2-NZ 2.69Å; D550-K555 PolarHBondContact OD2-NZ 3.36Å
551	L	86.3	Confident	70.3	Confident	20 Å²	20	76.9 Å²	76.9	11%	0.105	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-24.8	-166.3	-78.7	-178.6	0	0	0	115.1	L216 L220 D546 G549 V632	L216-L551 HydrophobicContact CB-CD2 4.4Å; L216-L551 HydrophobicContact CD2-CD1 3.92Å; L216-L551 HydrophobicContact CD2-CD2 3.81Å; L216-L551 HydrophobicContact CD2-CG 3.86Å; L216-L551 HydrophobicContact CG-CD1 4.1Å; L216-L551 HydrophobicContact CG-CD2 3.91Å; L216-L551 HydrophobicContact CG-CG 4.32Å; L220-L551 HydrophobicContact CD2-CB 4.23Å; L220-L551 HydrophobicContact CD2-CD1 4.35Å; L220-L551 HydrophobicContact CD2-CD2 4.12Å; L220-L551 HydrophobicContact CD2-CG 4.48Å; D546-L551 PolarHBondContact O-N 3.11Å; G549-L551 PolarHBondContact O-N 3.25Å; L551-V632 HydrophobicContact CD1-CG1 3.9Å
552	W	84.4	Confident	67.9	Low	58 Å²	58	84 Å²	84	22%	0.22	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	14.5	-169.7	-60.5	103	0	0	0	113.5	L220 M224 D546 D550 A566 N568 P569 Y628	L220-W552 HydrophobicContact CD1-CZ2 3.9Å; L220-W552 HydrophobicContact CD2-CZ2 4.22Å; M224-W552 HydrophobicContact CE-CH2 3.48Å; M224-W552 VanDerWaalsContact CE-CH2 3.48Å; M224-W552 HydrophobicContact CE-CZ2 3.56Å; M224-W552 HydrophobicContact SD-CH2 4.35Å; D546-W552 PolarHBondContact OD2-NE1 3.03Å; D546-W552 VanDerWaalsContact OD2-NE1 3.07Å; D550-W552 VanDerWaalsContact C-N 3.35Å; D550-W552 PolarHBondContact O-N 3.11Å; W552-A566 HydrophobicContact CB-CB 4.5Å; W552-A566 WeakPolarHBondContact CB-O 3.47Å; W552-A566 HydrophobicContact CE3-CB 3.95Å; W552-N568 HydrophobicContact CD2-CB 4.38Å; W552-N568 HydrophobicContact CZ2-CB 3.84Å; W552-N568 WeakPolarHBondContact CZ2-OD1 3.36Å; W552-P569 HydrophobicContact CH2-CG 4.28Å; W552-Y628 PolarHBondContact NE1-OH 2.84Å
553	S	71.4	Confident	65.4	Low	46 Å²	46	91.1 Å²	91.1	32%	0.322	51%	0.509	S	S	.	.			trans	-80	129.3	172.9	72.3	0	0	0	0	110.7	D550 K555	D550-S553 VanDerWaalsContact OD1-CB 3.24Å; D550-S553 WeakPolarHBondContact OD1-CB 3.43Å; D550-S553 PolarHBondContact OD1-OG 2.66Å; S553-K555 PolarHBondContact O-N 2.81Å; S553-K555 WeakPolarHBondContact OG-CE 3.48Å
554	S	49.9	Very low	63.3	Low	81 Å²	81	93.5 Å²	93.5	57%	0.566	53%	0.525	S	S	*	.			trans	-75.1	95.9	174.6	-160.7	0	0	0	0	109.2
555	K	49.5	Very low	61.4	Low	154 Å²	154	101.4 Å²	101.4	67%	0.67	55%	0.548	S	S	*	.			trans	-111.5	-2.7	172.2	-71.9	177.3	179.7	171.4	0	112.9	D550 S553	D550-K555 IonicContact OD1-NZ 3.84Å; D550-K555 IonicContact OD2-NZ 2.69Å; D550-K555 PolarHBondContact OD2-NZ 3.36Å; S553-K555 PolarHBondContact O-N 2.81Å; S553-K555 WeakPolarHBondContact OG-CE 3.48Å
556	T	41.9	Very low	60	Low	114 Å²	114	103.6 Å²	103.6	70%	0.699	57%	0.567	S	S	*	*	S	Bend	trans	-93.6	127.6	174.1	38.5	0	0	0	0	110.6
557	Q	35.9	Very low	59.4	Low	191 Å²	191	109.3 Å²	109.3	89%	0.893	59%	0.594	S	S	*	*	S	Bend	trans	76.6	119.7	-177.9	-50.2	-171.7	9.8	0	0	114.6	A559	Q557-A559 PolarHBondContact O-N 3.22Å
558	G	38.8	Very low	59.3	Low	95 Å²	95	102.3 Å²	102.3	98%	0.979	56%	0.561	S	S	*	*			trans	-82.9	98.4	176.5	0	0	0	0	0	111.1
559	A	35.7	Very low	59.5	Low	76 Å²	76	99.3 Å²	99.3	63%	0.628	55%	0.553	S	S	*	*			trans	-137.8	125.9	168	0	0	0	0	0	109.6	Q557 S561	Q557-A559 PolarHBondContact O-N 3.22Å; A559-S561 VanDerWaalsContact C-N 3.29Å; A559-S561 PolarHBondContact O-N 3.45Å
560	Q	40.5	Very low	59.8	Low	213 Å²	213	99.7 Å²	99.7	100%	0.995	55%	0.552	S	S	*	*			trans	-76.3	82.5	172.3	-72.7	-172.1	-2.1	0	0	110
561	S	35	Very low	59.9	Low	70 Å²	70	97.9 Å²	97.9	49%	0.49	54%	0.542	S	S	.	.	S	Bend	trans	-143.7	150.9	168.6	66.1	0	0	0	0	110.8	A559 E563	A559-S561 VanDerWaalsContact C-N 3.29Å; A559-S561 PolarHBondContact O-N 3.45Å; S561-E563 PolarHBondContact O-N 3.09Å
562	T	43.1	Very low	60	Low	151 Å²	151	102.8 Å²	102.8	93%	0.926	56%	0.562	S	S	*	*			trans	-79.8	56.8	-173	-42.2	0	0	0	0	111.4	L564	T562-L564 PolarHBondContact O-N 3.46Å
563	E	42.3	Very low	60.2	Low	148 Å²	148	105.1 Å²	105.1	69%	0.692	58%	0.579	S	S	*	*			trans	-66.6	133.9	176.6	-63.2	-161.2	137.9	0	0	110.5	S561 R565	S561-E563 PolarHBondContact O-N 3.09Å; E563-R565 PolarHBondContact O-N 2.81Å
564	L	47.7	Very low	61.1	Low	161 Å²	161	103.7 Å²	103.7	84%	0.843	57%	0.568	S	S	*	*			trans	-61	125.7	175.8	-64.4	166.9	0	0	0	108.1	T562 A566	T562-L564 PolarHBondContact O-N 3.46Å; L564-A566 PolarHBondContact O-N 3.44Å
565	R	51.8	Low	62.9	Low	196 Å²	196	103.9 Å²	103.9	74%	0.74	57%	0.566	S	S	*	*			trans	-43.5	133.5	171.6	-67.1	-178.7	-179.9	-176.9	-1.7	108.7	E563 Q567	E563-R565 PolarHBondContact O-N 2.81Å; R565-Q567 WeakPolarHBondContact O-CG 3.41Å; R565-Q567 PolarHBondContact O-N 3.01Å; R565-Q567 VanDerWaalsContact O-N 3.11Å
566	A	61.6	Low	64.7	Low	52 Å²	52	100.2 Å²	100.2	43%	0.43	55%	0.554	S	S	.	*			trans	-53.6	125.1	172.5	0	0	0	0	0	108.1	W552 L564	W552-A566 HydrophobicContact CB-CB 4.5Å; W552-A566 WeakPolarHBondContact CB-O 3.47Å; W552-A566 HydrophobicContact CE3-CB 3.95Å; L564-A566 PolarHBondContact O-N 3.44Å
567	Q	79.1	Confident	66.7	Low	134 Å²	134	99.7 Å²	99.7	63%	0.626	54%	0.539	S	S	*	.			trans	-105.5	128.7	180	-68.9	-173.2	1.1	0	0	108.9	R565 P569	R565-Q567 WeakPolarHBondContact O-CG 3.41Å; R565-Q567 PolarHBondContact O-N 3.01Å; R565-Q567 VanDerWaalsContact O-N 3.11Å; Q567-P569 VanDerWaalsContact O-N 3.1Å
568	N	89.1	Confident	69.1	Low	7 Å²	7	93.5 Å²	93.5	4%	0.037	51%	0.512	C	S	.	.			trans	-49.8	116	179.6	-172.1	-12.2	0	0	0	110.2	I542 D546 W552 I570 L571 Y628	I542-N568 WeakPolarHBondContact CG2-ND2 3.24Å; D546-N568 PolarHBondContact OD2-ND2 3.32Å; W552-N568 HydrophobicContact CD2-CB 4.38Å; W552-N568 HydrophobicContact CZ2-CB 3.84Å; W552-N568 WeakPolarHBondContact CZ2-OD1 3.36Å; N568-I570 PolarHBondContact O-N 3.12Å; N568-I570 VanDerWaalsContact O-N 3.14Å; N568-I570 VanDerWaalsContact OD1-CG1 3.26Å; N568-I570 WeakPolarHBondContact OD1-CG1 3.15Å; N568-L571 HydrophobicContact CB-CD1 4.12Å; N568-L571 HydrophobicContact CB-CG 4.21Å; N568-L571 PolarHBondContact O-N 3.06Å; N568-Y628 PolarHBondContact ND2-OH 2.93Å; N568-Y628 VanDerWaalsContact ND2-OH 3.17Å
569	P	90.9	Very high	71.1	Confident	48 Å²	48	94.3 Å²	94.3	31%	0.312	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-62.5	-27.1	-166.8	22.3	-34	0	0	0	113.9	M224 M227 W552 Q567 L571 K572	M224-P569 HydrophobicContact CE-CG 4.15Å; M224-P569 HydrophobicContact SD-CG 4.05Å; M227-P569 HydrophobicContact CE-CG 4.04Å; W552-P569 HydrophobicContact CH2-CG 4.28Å; Q567-P569 VanDerWaalsContact O-N 3.1Å; P569-L571 VanDerWaalsContact C-N 3.27Å; P569-L571 PolarHBondContact O-N 3.3Å; P569-K572 PolarHBondContact O-N 3.29Å
570	I	91.1	Very high	72.7	Confident	21 Å²	21	95.9 Å²	95.9	11%	0.108	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-75.1	-10.6	178.1	59.9	161.5	0	0	0	114.3	F223 M227 I542 N568 L625 Y628	F223-I570 HydrophobicContact CE1-CG2 4.17Å; F223-I570 HydrophobicContact CZ-CG2 4.34Å; M227-I570 HydrophobicContact CE-CG2 4.34Å; M227-I570 HydrophobicContact SD-CG2 3.71Å; I542-I570 HydrophobicContact CD1-CD1 3.93Å; N568-I570 PolarHBondContact O-N 3.12Å; N568-I570 VanDerWaalsContact O-N 3.14Å; N568-I570 VanDerWaalsContact OD1-CG1 3.26Å; N568-I570 WeakPolarHBondContact OD1-CG1 3.15Å; I570-L625 HydrophobicContact CB-CD2 4.31Å; I570-L625 HydrophobicContact CD1-CD2 3.88Å; I570-L625 HydrophobicContact CG1-CD2 4.29Å; I570-Y628 HydrophobicContact CD1-CD1 3.99Å; I570-Y628 HydrophobicContact CD1-CD2 3.66Å; I570-Y628 HydrophobicContact CD1-CE2 4.42Å; I570-Y628 HydrophobicContact CD1-CG 3.4Å; I570-Y628 VanDerWaalsContact CD1-CG 3.4Å; I570-Y628 HydrophobicContact CG1-CD2 4.42Å
571	L	91.4	Very high	73.7	Confident	20 Å²	20	94.5 Å²	94.5	11%	0.105	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-97.3	-5.1	176.9	-56.8	-176.7	0	0	0	112.8	A539 I542 H543 N568 P569 N573 I574 L625	A539-L571 HydrophobicContact CB-CD2 4.09Å; I542-L571 HydrophobicContact CB-CD1 4.42Å; I542-L571 HydrophobicContact CB-CD2 4.35Å; I542-L571 HydrophobicContact CD1-CD2 4.15Å; I542-L571 HydrophobicContact CG2-CD1 3.83Å; I542-L571 HydrophobicContact CG2-CD2 4.23Å; I542-L571 HydrophobicContact CG2-CG 4.31Å; H543-L571 VanDerWaalsContact CE1-CD1 3.46Å; H543-L571 WeakPolarHBondContact CE1-CD1 3.38Å; N568-L571 HydrophobicContact CB-CD1 4.12Å; N568-L571 HydrophobicContact CB-CG 4.21Å; N568-L571 PolarHBondContact O-N 3.06Å; P569-L571 VanDerWaalsContact C-N 3.27Å; P569-L571 PolarHBondContact O-N 3.3Å; L571-N573 PolarHBondContact O-N 2.87Å; L571-I574 WeakPolarHBondContact O-CB 3.46Å; L571-I574 VanDerWaalsContact O-CG2 3.3Å; L571-I574 WeakPolarHBondContact O-CG2 3.41Å; L571-I574 PolarHBondContact O-N 2.89Å; L571-L625 HydrophobicContact CD2-CD2 3.93Å
572	K	88.9	Confident	74.9	Confident	122 Å²	122	95.4 Å²	95.4	53%	0.53	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	131.8	175.9	-65.8	177.2	179.7	175.8	0	109.3	P569 I574	P569-K572 PolarHBondContact O-N 3.29Å; K572-I574 PolarHBondContact O-N 3.32Å; K572-I574 VanDerWaalsContact O-N 3.13Å
573	N	88.4	Confident	75.6	Confident	107 Å²	107	90.8 Å²	90.8	57%	0.572	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	20	-179.7	-64.2	50.2	0	0	0	114.5	L571 T575 D576 Y577	L571-N573 PolarHBondContact O-N 2.87Å; N573-T575 PolarHBondContact O-N 2.89Å; N573-D576 WeakPolarHBondContact CB-OD2 3.26Å; N573-D576 PolarHBondContact ND2-OD2 3.46Å; N573-D576 VanDerWaalsContact ND2-OD2 3.1Å; N573-D576 WeakPolarHBondContact O-CB 3.4Å; N573-D576 PolarHBondContact O-N 3.21Å; N573-Y577 WeakPolarHBondContact O-CD2 3.22Å
574	I	89.6	Confident	76.4	Confident	16 Å²	16	86.4 Å²	86.4	8%	0.082	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.9	-177.1	-159.5	60.8	0	0	0	112.8	I535 A539 L571 K572 D576 Y577 V621 L625	I535-I574 HydrophobicContact CG2-CD1 3.77Å; I535-I574 HydrophobicContact CG2-CG1 3.86Å; A539-I574 HydrophobicContact CB-CG1 4.29Å; A539-I574 HydrophobicContact CB-CG2 4.44Å; L571-I574 WeakPolarHBondContact O-CB 3.46Å; L571-I574 VanDerWaalsContact O-CG2 3.3Å; L571-I574 WeakPolarHBondContact O-CG2 3.41Å; L571-I574 PolarHBondContact O-N 2.89Å; K572-I574 PolarHBondContact O-N 3.32Å; K572-I574 VanDerWaalsContact O-N 3.13Å; I574-D576 PolarHBondContact O-N 3.42Å; I574-Y577 HydrophobicContact CD1-CD2 4.5Å; I574-V621 HydrophobicContact CD1-CG1 3.36Å; I574-L625 HydrophobicContact CD1-CD1 4.15Å; I574-L625 HydrophobicContact CD1-CD2 4.39Å; I574-L625 HydrophobicContact CG1-CD1 4.42Å
575	T	87.8	Confident	77.1	Confident	86 Å²	86	86.6 Å²	86.6	53%	0.528	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.7	172.8	37.5	0	0	0	0	113.3	N573 Y577 L578 I579	N573-T575 PolarHBondContact O-N 2.89Å; T575-Y577 VanDerWaalsContact C-N 3.29Å; T575-Y577 PolarHBondContact O-N 2.86Å; T575-L578 WeakPolarHBondContact O-CB 3.5Å; T575-L578 PolarHBondContact O-N 3.5Å; T575-I579 PolarHBondContact O-N 2.96Å
576	D	87.9	Confident	77.5	Confident	77 Å²	77	82.4 Å²	82.4	41%	0.412	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-70.8	-34.4	-167.7	-48.1	3.8	0	0	0	109.1	N573 I574 L578	N573-D576 WeakPolarHBondContact CB-OD2 3.26Å; N573-D576 PolarHBondContact ND2-OD2 3.46Å; N573-D576 VanDerWaalsContact ND2-OD2 3.1Å; N573-D576 WeakPolarHBondContact O-CB 3.4Å; N573-D576 PolarHBondContact O-N 3.21Å; I574-D576 PolarHBondContact O-N 3.42Å; D576-L578 VanDerWaalsContact C-N 3.31Å; D576-L578 PolarHBondContact O-N 2.95Å
577	Y	85.3	Confident	77.5	Confident	102 Å²	102	86.1 Å²	86.1	40%	0.4	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-76.6	-10.7	172.8	-56.3	-82.9	0	0	0	114.6	N573 I574 T575 L618 V621	N573-Y577 WeakPolarHBondContact O-CD2 3.22Å; I574-Y577 HydrophobicContact CD1-CD2 4.5Å; T575-Y577 VanDerWaalsContact C-N 3.29Å; T575-Y577 PolarHBondContact O-N 2.86Å; Y577-L618 HydrophobicContact CD1-CD2 4.36Å; Y577-L618 WeakPolarHBondContact O-CD2 3.38Å; Y577-V621 HydrophobicContact CD1-CG2 3.85Å; Y577-V621 HydrophobicContact CD2-CG1 4.31Å; Y577-V621 HydrophobicContact CD2-CG2 4.24Å; Y577-V621 HydrophobicContact CE1-CG2 3.69Å; Y577-V621 HydrophobicContact CE2-CG2 4.11Å; Y577-V621 HydrophobicContact CG-CG1 4.37Å; Y577-V621 HydrophobicContact CG-CG2 4.12Å
578	L	85.2	Confident	77.1	Confident	61 Å²	61	87.8 Å²	87.8	32%	0.319	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-94.5	-16.2	176.8	-64.2	179.6	0	0	0	112.8	R532 I535 K536 T575 D576	R532-L578 WeakPolarHBondContact O-CD2 3.26Å; I535-L578 HydrophobicContact CB-CD2 3.97Å; I535-L578 HydrophobicContact CG2-CD2 3.75Å; I535-L578 HydrophobicContact CG2-CG 4.32Å; K536-L578 HydrophobicContact CB-CD1 4.06Å; K536-L578 HydrophobicContact CB-CD2 3.89Å; T575-L578 WeakPolarHBondContact O-CB 3.5Å; T575-L578 PolarHBondContact O-N 3.5Å; D576-L578 VanDerWaalsContact C-N 3.31Å; D576-L578 PolarHBondContact O-N 2.95Å
579	I	80.7	Confident	76.1	Confident	113 Å²	113	94.9 Å²	94.9	58%	0.579	49%	0.485	S	S	*	.	S	Bend	trans	-77.4	133.4	171.3	-62.6	168.4	0	0	0	107.9	T575 E581	T575-I579 PolarHBondContact O-N 2.96Å; I579-E581 PolarHBondContact O-N 3.25Å
580	E	70.1	Confident	74.7	Confident	108 Å²	108	98.6 Å²	98.6	51%	0.505	50%	0.501	S	S	.	.			trans	-85.5	95.7	173.8	-175	134.6	-130.5	0	0	109.1	R532 V582	R532-E580 IonicContact CZ-OE1 3.09Å; R532-E580 IonicContact NH1-OE1 2.67Å; R532-E580 PolarHBondContact NH1-OE1 3.46Å; R532-E580 IonicContact NH1-OE2 3.49Å; R532-E580 PolarHBondContact NH1-OE2 3.39Å; R532-E580 IonicContact NH2-OE1 2.73Å; R532-E580 PolarHBondContact NH2-OE1 2.72Å; E580-V582 HydrophobicContact CG-CG1 4.03Å; E580-V582 HydrophobicContact CG-CG2 4.23Å; E580-V582 PolarHBondContact O-N 2.88Å
581	E	61.1	Low	72.7	Confident	184 Å²	184	99 Å²	99	86%	0.86	51%	0.511	S	S	*	.			trans	-67.9	72.3	169.2	-66	-173.7	153.4	0	0	110.6	I579	I579-E581 PolarHBondContact O-N 3.25Å
582	V	59.8	Low	70.7	Confident	89 Å²	89	103.3 Å²	103.3	54%	0.539	54%	0.543	S	S	.	.			trans	-84.7	131.2	164.4	-89.9	0	0	0	0	109.9	E580 A584	E580-V582 HydrophobicContact CG-CG1 4.03Å; E580-V582 HydrophobicContact CG-CG2 4.23Å; E580-V582 PolarHBondContact O-N 2.88Å; V582-A584 PolarHBondContact O-N 3.15Å
583	S	57.4	Low	68.8	Low	54 Å²	54	101.5 Å²	101.5	38%	0.378	56%	0.559	S	S	.	*			trans	-74.4	59.4	170.7	-156.7	0	0	0	0	109.7	E585 E586 E587	S583-E585 PolarHBondContact O-N 2.72Å; S583-E586 WeakPolarHBondContact CB-OE2 3.26Å; S583-E586 WeakPolarHBondContact O-CA 3.21Å; S583-E586 WeakPolarHBondContact O-CB 3.41Å; S583-E586 PolarHBondContact O-N 3.28Å; S583-E586 WeakPolarHBondContact OG-CB 3.47Å; S583-E586 PolarHBondContact OG-OE2 3.17Å; S583-E587 PolarHBondContact O-N 3.01Å
584	A	59.4	Low	66.7	Low	56 Å²	56	100.9 Å²	100.9	46%	0.463	56%	0.563	S	S	.	*	H	α-helix	trans	-62	-31.9	-172.9	0	0	0	0	0	112.1	V582 E586 E588	V582-A584 PolarHBondContact O-N 3.15Å; A584-E586 VanDerWaalsContact C-N 3.31Å; A584-E586 PolarHBondContact O-N 3.06Å; A584-E588 VanDerWaalsContact O-CB 3.28Å; A584-E588 WeakPolarHBondContact O-CB 3.48Å; A584-E588 PolarHBondContact O-N 2.8Å
585	E	62.4	Low	64.8	Low	166 Å²	166	103.8 Å²	103.8	78%	0.776	60%	0.596	S	S	*	*	H	α-helix	trans	-64.6	-33.5	171.5	61	176.8	-155.4	0	0	112.6	S583 L589	S583-E585 PolarHBondContact O-N 2.72Å; E585-L589 WeakPolarHBondContact O-CB 3.5Å; E585-L589 PolarHBondContact O-N 3.22Å
586	E	60.8	Low	62.4	Low	108 Å²	108	107.9 Å²	107.9	51%	0.505	61%	0.612	S	S	.	*	H	α-helix	trans	-79.6	-39.8	179	-171	176	-169.3	0	0	111.7	S583 A584 E588 L589 L590	S583-E586 WeakPolarHBondContact CB-OE2 3.26Å; S583-E586 WeakPolarHBondContact O-CA 3.21Å; S583-E586 WeakPolarHBondContact O-CB 3.41Å; S583-E586 PolarHBondContact O-N 3.28Å; S583-E586 WeakPolarHBondContact OG-CB 3.47Å; S583-E586 PolarHBondContact OG-OE2 3.17Å; A584-E586 VanDerWaalsContact C-N 3.31Å; A584-E586 PolarHBondContact O-N 3.06Å; E586-E588 VanDerWaalsContact C-N 3.34Å; E586-L589 PolarHBondContact O-N 3.07Å; E586-L590 HydrophobicContact CG-CD1 4.02Å; E586-L590 VanDerWaalsContact O-CB 3.26Å; E586-L590 WeakPolarHBondContact O-CB 3.31Å; E586-L590 WeakPolarHBondContact O-CG 3.48Å; E586-L590 PolarHBondContact O-N 3.48Å
587	E	62.2	Low	59.8	Low	129 Å²	129	110.7 Å²	110.7	60%	0.603	63%	0.627	S	S	*	*	H	α-helix	trans	-65.9	-35.8	173.4	-67.7	-167	151.6	0	0	112.4	S583 G591	S583-E587 PolarHBondContact O-N 3.01Å; E587-G591 PolarHBondContact O-N 3.49Å
588	E	69.9	Low	57.9	Low	170 Å²	170	112.2 Å²	112.2	79%	0.794	65%	0.649	S	S	*	*	H	α-helix	trans	-70.1	-43.7	172.3	-171.2	169.5	-172.2	0	0	111.4	A584 E586 L590 G591	A584-E588 VanDerWaalsContact O-CB 3.28Å; A584-E588 WeakPolarHBondContact O-CB 3.48Å; A584-E588 PolarHBondContact O-N 2.8Å; E586-E588 VanDerWaalsContact C-N 3.34Å; E588-L590 VanDerWaalsContact C-N 3.34Å; E588-L590 PolarHBondContact O-N 3.22Å; E588-G591 PolarHBondContact O-N 3.45Å; E588-G591 VanDerWaalsContact O-N 3.14Å
589	L	67.7	Low	56	Low	155 Å²	155	116.1 Å²	116.1	81%	0.812	67%	0.67	S	S	*	*	H	α-helix	trans	-66.1	-32.8	177.9	-167.7	74.8	0	0	0	113.2	E585 E586 G591	E585-L589 WeakPolarHBondContact O-CB 3.5Å; E585-L589 PolarHBondContact O-N 3.22Å; E586-L589 PolarHBondContact O-N 3.07Å; L589-G591 PolarHBondContact O-N 2.96Å
590	L	61.6	Low	54.4	Low	126 Å²	126	119.7 Å²	119.7	66%	0.66	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-6	175.2	-72	171.3	0	0	0	113.3	E586 E588 S592	E586-L590 HydrophobicContact CG-CD1 4.02Å; E586-L590 VanDerWaalsContact O-CB 3.26Å; E586-L590 WeakPolarHBondContact O-CB 3.31Å; E586-L590 WeakPolarHBondContact O-CG 3.48Å; E586-L590 PolarHBondContact O-N 3.48Å; E588-L590 VanDerWaalsContact C-N 3.34Å; E588-L590 PolarHBondContact O-N 3.22Å; L590-S592 VanDerWaalsContact C-N 3.3Å; L590-S592 PolarHBondContact O-N 2.9Å
591	G	49.5	Very low	52.9	Low	31 Å²	31	118.6 Å²	118.6	32%	0.32	70%	0.702	S	S	.	*	T	Hydrogen-bonded Turn	trans	71.5	16.9	166.4	0	0	0	0	0	115.6	E587 E588 L589 G593 S594	E587-G591 PolarHBondContact O-N 3.49Å; E588-G591 PolarHBondContact O-N 3.45Å; E588-G591 VanDerWaalsContact O-N 3.14Å; L589-G591 PolarHBondContact O-N 2.96Å; G591-G593 PolarHBondContact O-N 3.37Å; G591-S594 PolarHBondContact O-N 3.33Å; G591-S594 PolarHBondContact O-OG 2.88Å
592	S	49.3	Very low	52	Low	110 Å²	110	114.8 Å²	114.8	77%	0.769	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-16	-179.9	-63.1	0	0	0	0	113.8	L590	L590-S592 VanDerWaalsContact C-N 3.3Å; L590-S592 PolarHBondContact O-N 2.9Å
593	G	48.4	Very low	51.3	Low	83 Å²	83	120.2 Å²	120.2	86%	0.856	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-5.1	173.1	0	0	0	0	0	116.1	G591	G591-G593 PolarHBondContact O-N 3.37Å
594	S	45.7	Very low	50.8	Low	95 Å²	95	125.9 Å²	125.9	66%	0.664	74%	0.739	S	S	*	*	S	Bend	trans	-138.4	82.9	-172.4	64.8	0	0	0	0	115.7	G591	G591-S594 PolarHBondContact O-N 3.33Å; G591-S594 PolarHBondContact O-OG 2.88Å
595	G	48.9	Very low	49.9	Very low	76 Å²	76	125.9 Å²	125.9	78%	0.784	75%	0.745	S	S	*	*			trans	60	92	144.6	0	0	0	0	0	118.6
596	M	36.2	Very low	49.3	Very low	172 Å²	172	122.9 Å²	122.9	85%	0.847	73%	0.734	S	S	*	*			trans	-129.9	161.9	154.7	-156.9	59.3	64.6	0	0	109.2
597	D	34.2	Very low	49	Very low	137 Å²	137	124.4 Å²	124.4	73%	0.733	75%	0.753	S	S	*	*			trans	-56.6	144.6	-158.8	-74.3	-87.3	0	0	0	117.7	D599	D597-D599 PolarHBondContact O-N 2.87Å
598	P	45.8	Very low	49	Very low	133 Å²	133	120.7 Å²	120.7	86%	0.864	74%	0.744	S	S	*	*			trans	-92.6	48.7	-178.9	40.1	-38.2	0	0	0	113.4
599	D	46	Very low	48.9	Very low	144 Å²	144	116 Å²	116	77%	0.77	72%	0.723	S	S	*	*			trans	-134	154.4	174.8	-151.5	-0.9	0	0	0	113.1	D597	D597-D599 PolarHBondContact O-N 2.87Å
600	E	46.5	Very low	49.3	Very low	187 Å²	187	110.9 Å²	110.9	87%	0.874	70%	0.696	S	S	*	*	S	Bend	trans	45.7	90.6	-179.1	-59.1	-150.1	127.7	0	0	117.9
601	G	37.8	Very low	50.1	Low	85 Å²	85	109.6 Å²	109.6	88%	0.876	69%	0.693	S	S	*	*	S	Bend	trans	167.8	-62.2	156.8	0	0	0	0	0	115.9
602	A	41.8	Very low	51.7	Low	105 Å²	105	109.7 Å²	109.7	87%	0.868	69%	0.687	S	S	*	*			trans	-104.1	106.2	-166.7	0	0	0	0	0	113.1
603	K	46.4	Very low	53.4	Low	203 Å²	203	109.1 Å²	109.1	88%	0.883	67%	0.672	S	S	*	*			trans	-119.8	151.7	162.2	-78.7	-178.6	178	169.2	0	110.3
604	E	45.8	Very low	55.2	Low	173 Å²	173	108.2 Å²	108.2	81%	0.808	65%	0.645	S	S	*	*			trans	72.2	66.5	174.9	-54.5	-163.8	147.2	0	0	117.2	R666	E604-R666 PolarHBondContact O-NH1 2.87Å; E604-R666 PolarHBondContact O-NH2 2.82Å
605	G	41.2	Very low	57.3	Low	56 Å²	56	105.4 Å²	105.4	58%	0.577	62%	0.623	S	S	*	*			trans	-145.8	126.7	143	0	0	0	0	0	110.3
606	N	49.5	Very low	59.3	Low	102 Å²	102	106.1 Å²	106.1	55%	0.545	61%	0.608	S	S	.	*			trans	-68.4	143.7	159.7	-78	-64.8	0	0	0	108.2	A608 E609	N606-A608 PolarHBondContact O-N 2.76Å; N606-E609 HydrophobicContact CB-CG 4.14Å; N606-E609 WeakPolarHBondContact CB-OE1 3.28Å; N606-E609 PolarHBondContact ND2-OE1 3.4Å; N606-E609 PolarHBondContact O-N 2.85Å
607	P	55.1	Low	62	Low	141 Å²	141	105.6 Å²	105.6	92%	0.916	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	0.2	174.2	29	-36.1	0	0	0	113.8
608	A	61.9	Low	64.8	Low	50 Å²	50	99.4 Å²	99.4	41%	0.413	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.2	-14.4	171.4	0	0	0	0	0	113.7	N606 T668 H669	N606-A608 PolarHBondContact O-N 2.76Å; A608-T668 WeakPolarHBondContact O-CA 3.49Å; A608-H669 PolarHBondContact O-N 3.26Å; A608-H669 VanDerWaalsContact O-N 3.15Å
609	E	67.3	Low	67.1	Low	73 Å²	73	93.1 Å²	93.1	34%	0.341	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.7	-173.5	-72.3	167	-144.2	0	0	112.1	N606 R666	N606-E609 HydrophobicContact CB-CG 4.14Å; N606-E609 WeakPolarHBondContact CB-OE1 3.28Å; N606-E609 PolarHBondContact ND2-OE1 3.4Å; N606-E609 PolarHBondContact O-N 2.85Å; E609-R666 HydrophobicContact CB-CB 4.04Å; E609-R666 HydrophobicContact CG-CB 4.47Å; E609-R666 WeakPolarHBondContact OE2-CD 3.38Å; E609-R666 IonicContact OE2-CZ 3.55Å; E609-R666 IonicContact OE2-NH1 3.65Å; E609-R666 PolarHBondContact OE2-NH1 2.69Å
610	I	75.6	Confident	69.4	Low	47 Å²	47	92.1 Å²	92.1	24%	0.241	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.6	-177.4	-58.6	174	0	0	0	109.7	I667 H669	I610-I667 PolarHBondContact N-O 3.01Å; I610-I667 PolarHBondContact O-N 3.1Å; I610-H669 HydrophobicContact CD1-CB 3.84Å
611	T	79.6	Confident	71.6	Confident	98 Å²	98	84.2 Å²	84.2	60%	0.601	48%	0.481	S	S	*	.			trans	-84.6	140.8	167.1	46.5	0	0	0	0	110.3	E613 R666	T611-E613 PolarHBondContact O-N 2.72Å; T611-R666 HydrophobicContact CG2-CG 4.14Å
612	V	82.6	Confident	74.4	Confident	33 Å²	33	80.2 Å²	80.2	20%	0.2	44%	0.439	C	S	.	.			trans	-65.4	102.4	177.5	177.9	0	0	0	0	110.8	Q526 H527 V662 I667	Q526-V612 HydrophobicContact CB-CG1 4.05Å; H527-V612 HydrophobicContact CB-CG1 4.49Å; V612-V662 HydrophobicContact CB-CG1 3.85Å; V612-V662 HydrophobicContact CG1-CG1 4.2Å; V612-V662 HydrophobicContact CG2-CG1 4.12Å; V612-I667 HydrophobicContact CG2-CD1 3.25Å; V612-I667 HydrophobicContact CG2-CG1 4.3Å
613	E	85.4	Confident	77	Confident	98 Å²	98	75.4 Å²	75.4	46%	0.458	40%	0.399	S	S	.	.			trans	-81.4	123.6	160.4	-164.9	-167.6	149.8	0	0	109.2	H527 K528 T611	H527-E613 WeakPolarHBondContact CA-O 3.48Å; K528-E613 WeakPolarHBondContact CD-OE1 3.44Å; K528-E613 WeakPolarHBondContact CE-OE1 3.49Å; K528-E613 PolarHBondContact N-O 3.26Å; K528-E613 IonicContact NZ-OE1 2.69Å; K528-E613 PolarHBondContact NZ-OE1 3.04Å; K528-E613 IonicContact NZ-OE2 3.35Å; K528-E613 PolarHBondContact NZ-OE2 2.82Å; T611-E613 PolarHBondContact O-N 2.72Å
614	K	85.8	Confident	79.3	Confident	65 Å²	65	71.2 Å²	71.2	28%	0.283	38%	0.377	S	S	.	.			trans	-102.7	125.7	172.2	-170.2	-159.5	-170.9	-156.3	0	109	D238 Q526 D616	D238-K614 IonicContact OD2-NZ 2.8Å; D238-K614 PolarHBondContact OD2-NZ 2.97Å; Q526-K614 HydrophobicContact CB-CG 4.41Å; K614-D616 VanDerWaalsContact CE-OD1 3.27Å; K614-D616 WeakPolarHBondContact CE-OD1 3.42Å; K614-D616 IonicContact NZ-OD1 2.63Å; K614-D616 PolarHBondContact NZ-OD1 2.73Å
615	D	90.5	Very high	81.8	Confident	36 Å²	36	63 Å²	63	19%	0.193	34%	0.339	C	S	.	.			trans	-101.8	108	171.9	-176	-32.8	0	0	0	109.3	K528 K617 L618 A619	K528-D615 HydrophobicContact CG-CB 4.28Å; D615-K617 VanDerWaalsContact C-N 3.26Å; D615-K617 PolarHBondContact O-N 3.18Å; D615-K617 WeakPolarHBondContact OD1-CA 3.37Å; D615-K617 VanDerWaalsContact OD1-CB 3.26Å; D615-K617 WeakPolarHBondContact OD1-CB 3.3Å; D615-K617 PolarHBondContact OD1-N 2.95Å; D615-L618 HydrophobicContact CB-CB 4.08Å; D615-L618 HydrophobicContact CB-CD1 3.92Å; D615-L618 HydrophobicContact CB-CG 4.09Å; D615-L618 PolarHBondContact O-N 3.24Å; D615-L618 PolarHBondContact OD1-N 2.85Å; D615-L618 VanDerWaalsContact OD1-N 3.09Å; D615-A619 WeakPolarHBondContact O-CB 3.36Å; D615-A619 PolarHBondContact O-N 2.91Å
616	D	91.1	Very high	84.4	Confident	91 Å²	91	60.7 Å²	60.7	49%	0.487	31%	0.313	S	S	.	.	H	α-helix	trans	-69.8	-17.3	-179.5	-78	-40.3	0	0	0	113.7	K614 K620	K614-D616 VanDerWaalsContact CE-OD1 3.27Å; K614-D616 WeakPolarHBondContact CE-OD1 3.42Å; K614-D616 IonicContact NZ-OD1 2.63Å; K614-D616 PolarHBondContact NZ-OD1 2.73Å; D616-K620 WeakPolarHBondContact O-CB 3.28Å; D616-K620 VanDerWaalsContact O-CG 3.22Å; D616-K620 WeakPolarHBondContact O-CG 3.28Å; D616-K620 PolarHBondContact O-N 3.12Å; D616-K620 VanDerWaalsContact O-N 3.17Å
617	K	92.1	Very high	86.7	Confident	160 Å²	160	56 Å²	56	70%	0.696	29%	0.288	S	S	*	.	H	α-helix	trans	-72.6	-50.5	171.1	-59	176.5	-178.6	173.5	0	109.4	D615 A619 K620 V621	D615-K617 VanDerWaalsContact C-N 3.26Å; D615-K617 PolarHBondContact O-N 3.18Å; D615-K617 WeakPolarHBondContact OD1-CA 3.37Å; D615-K617 VanDerWaalsContact OD1-CB 3.26Å; D615-K617 WeakPolarHBondContact OD1-CB 3.3Å; D615-K617 PolarHBondContact OD1-N 2.95Å; K617-A619 VanDerWaalsContact C-N 3.35Å; K617-A619 PolarHBondContact O-N 2.79Å; K617-K620 PolarHBondContact O-N 3.4Å; K617-V621 WeakPolarHBondContact O-CG2 3.36Å; K617-V621 PolarHBondContact O-N 3.26Å; K617-V621 VanDerWaalsContact O-N 3.08Å
618	L	93.4	Very high	88.7	Confident	8 Å²	8	49.3 Å²	49.3	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-41.4	177.2	-65.4	177.2	0	0	0	111.3	K528 L531 R532 I535 Y577 D615 K620 V621 L622	K528-L618 HydrophobicContact CG-CD1 4.17Å; L531-L618 HydrophobicContact CB-CB 4.26Å; L531-L618 HydrophobicContact CD1-CB 4.39Å; R532-L618 HydrophobicContact CG-CD1 3.62Å; R532-L618 HydrophobicContact CG-CD2 4.36Å; I535-L618 HydrophobicContact CD1-CB 4.14Å; I535-L618 HydrophobicContact CD1-CD2 3.92Å; Y577-L618 HydrophobicContact CD1-CD2 4.36Å; Y577-L618 WeakPolarHBondContact O-CD2 3.38Å; D615-L618 HydrophobicContact CB-CB 4.08Å; D615-L618 HydrophobicContact CB-CD1 3.92Å; D615-L618 HydrophobicContact CB-CG 4.09Å; D615-L618 PolarHBondContact O-N 3.24Å; D615-L618 PolarHBondContact OD1-N 2.85Å; D615-L618 VanDerWaalsContact OD1-N 3.09Å; L618-K620 PolarHBondContact O-N 3.31Å; L618-V621 PolarHBondContact O-N 3.11Å; L618-L622 WeakPolarHBondContact O-CB 3.4Å; L618-L622 PolarHBondContact O-N 3.4Å
619	A	93.8	Very high	90.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.4	-45.6	175.3	0	0	0	0	0	112.1	L531 D615 K617 V621 L622 D623	L531-A619 HydrophobicContact CD1-CB 4.42Å; D615-A619 WeakPolarHBondContact O-CB 3.36Å; D615-A619 PolarHBondContact O-N 2.91Å; K617-A619 VanDerWaalsContact C-N 3.35Å; K617-A619 PolarHBondContact O-N 2.79Å; A619-V621 VanDerWaalsContact C-N 3.33Å; A619-V621 PolarHBondContact O-N 2.63Å; A619-L622 PolarHBondContact O-N 3.11Å; A619-D623 WeakPolarHBondContact O-CB 3.34Å; A619-D623 PolarHBondContact O-N 2.7Å
620	K	93.6	Very high	91.8	Very high	124 Å²	124	43.6 Å²	43.6	54%	0.539	21%	0.209	S	C	.	.	H	α-helix	trans	-64.4	-33.2	176.8	-77.3	177.2	179.9	-168.8	0	113.8	D616 K617 L618 R624	D616-K620 WeakPolarHBondContact O-CB 3.28Å; D616-K620 VanDerWaalsContact O-CG 3.22Å; D616-K620 WeakPolarHBondContact O-CG 3.28Å; D616-K620 PolarHBondContact O-N 3.12Å; D616-K620 VanDerWaalsContact O-N 3.17Å; K617-K620 PolarHBondContact O-N 3.4Å; L618-K620 PolarHBondContact O-N 3.31Å; K620-R624 WeakPolarHBondContact O-CG 3.46Å
621	V	94.4	Very high	92.8	Very high	21 Å²	21	41.3 Å²	41.3	13%	0.127	20%	0.198	C	C	.	.	H	α-helix	trans	-68.6	-50.5	173.4	169.8	0	0	0	0	110.2	I535 I574 Y577 K617 L618 A619 D623 R624 L625	I535-V621 HydrophobicContact CD1-CB 4.37Å; I535-V621 HydrophobicContact CD1-CG1 4.12Å; I535-V621 HydrophobicContact CG1-CG1 4.4Å; I535-V621 HydrophobicContact CG2-CG1 4.39Å; I574-V621 HydrophobicContact CD1-CG1 3.36Å; Y577-V621 HydrophobicContact CD1-CG2 3.85Å; Y577-V621 HydrophobicContact CD2-CG1 4.31Å; Y577-V621 HydrophobicContact CD2-CG2 4.24Å; Y577-V621 HydrophobicContact CE1-CG2 3.69Å; Y577-V621 HydrophobicContact CE2-CG2 4.11Å; Y577-V621 HydrophobicContact CG-CG1 4.37Å; Y577-V621 HydrophobicContact CG-CG2 4.12Å; K617-V621 WeakPolarHBondContact O-CG2 3.36Å; K617-V621 PolarHBondContact O-N 3.26Å; K617-V621 VanDerWaalsContact O-N 3.08Å; L618-V621 PolarHBondContact O-N 3.11Å; A619-V621 VanDerWaalsContact C-N 3.33Å; A619-V621 PolarHBondContact O-N 2.63Å; V621-D623 VanDerWaalsContact C-N 3.33Å; V621-D623 PolarHBondContact O-N 3.11Å; V621-R624 PolarHBondContact O-N 3.26Å; V621-L625 PolarHBondContact O-N 3.32Å
622	L	96.2	Very high	93.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.6	-45.1	178	-178.5	55	0	0	0	111.8	L531 D534 I535 A538 L618 A619 R624 L625 L626 Y638	L531-L622 HydrophobicContact CD2-CD2 3.65Å; D534-L622 HydrophobicContact CB-CD1 3.9Å; D534-L622 HydrophobicContact CB-CD2 3.67Å; D534-L622 HydrophobicContact CB-CG 4.47Å; I535-L622 HydrophobicContact CD1-CB 4.38Å; I535-L622 HydrophobicContact CG1-CB 3.76Å; I535-L622 HydrophobicContact CG1-CD1 4.04Å; I535-L622 HydrophobicContact CG1-CG 4.38Å; A538-L622 HydrophobicContact CB-CD1 4.27Å; L618-L622 WeakPolarHBondContact O-CB 3.4Å; L618-L622 PolarHBondContact O-N 3.4Å; A619-L622 PolarHBondContact O-N 3.11Å; L622-R624 VanDerWaalsContact C-N 3.26Å; L622-R624 PolarHBondContact O-N 3.18Å; L622-L625 WeakPolarHBondContact O-CA 3.24Å; L622-L625 WeakPolarHBondContact O-CB 3.45Å; L622-L625 PolarHBondContact O-N 2.89Å; L622-L626 HydrophobicContact CD1-CD1 4.11Å; L622-L626 HydrophobicContact CD1-CD2 3.83Å; L622-L626 HydrophobicContact CD1-CG 3.76Å; L622-L626 HydrophobicContact CD2-CD1 4.47Å; L622-L626 HydrophobicContact CG-CD1 3.99Å; L622-L626 HydrophobicContact CG-CG 3.98Å; L622-L626 WeakPolarHBondContact O-CG 3.49Å; L622-L626 PolarHBondContact O-N 2.92Å; L622-Y638 WeakPolarHBondContact CD2-OH 3.39Å
623	D	96.3	Very high	94.1	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-33.2	-176	-72	-12.1	0	0	0	112.9	S236 L237 A619 V621 L626 L627 R659	S236-D623 VanDerWaalsContact CA-OD2 3.28Å; S236-D623 WeakPolarHBondContact CA-OD2 3.49Å; S236-D623 PolarHBondContact OG-OD2 3.29Å; L237-D623 WeakPolarHBondContact CB-OD1 3.4Å; L237-D623 HydrophobicContact CD1-CB 4.19Å; L237-D623 HydrophobicContact CG-CB 4.01Å; L237-D623 WeakPolarHBondContact CG-OD1 3.27Å; L237-D623 PolarHBondContact N-OD2 2.93Å; A619-D623 WeakPolarHBondContact O-CB 3.34Å; A619-D623 PolarHBondContact O-N 2.7Å; V621-D623 VanDerWaalsContact C-N 3.33Å; V621-D623 PolarHBondContact O-N 3.11Å; D623-L626 PolarHBondContact O-N 2.61Å; D623-L627 VanDerWaalsContact O-CB 3.23Å; D623-L627 WeakPolarHBondContact O-CB 3.16Å; D623-L627 WeakPolarHBondContact O-CD1 3.22Å; D623-L627 VanDerWaalsContact O-CG 3.22Å; D623-L627 WeakPolarHBondContact O-CG 3.14Å; D623-L627 PolarHBondContact O-N 3.34Å; D623-R659 IonicContact OD1-CZ 3.65Å; D623-R659 VanDerWaalsContact OD1-CZ 3.3Å; D623-R659 IonicContact OD1-NH1 3.54Å; D623-R659 PolarHBondContact OD1-NH1 3.16Å; D623-R659 IonicContact OD1-NH2 2.83Å; D623-R659 PolarHBondContact OD1-NH2 3.3Å; D623-R659 VanDerWaalsContact OD1-NH2 3.11Å; D623-R659 IonicContact OD2-CZ 2.67Å; D623-R659 IonicContact OD2-NH1 3.86Å; D623-R659 IonicContact OD2-NH2 3.8Å; D623-R659 PolarHBondContact OD2-NH2 2.68Å
624	R	95.3	Very high	94.6	Very high	115 Å²	115	31.8 Å²	31.8	43%	0.434	15%	0.146	S	C	.	.	H	α-helix	trans	-66	-41.3	171.8	-68.8	170	176.3	-163.8	-5.1	111.8	K620 V621 L622 Y628	K620-R624 WeakPolarHBondContact O-CG 3.46Å; V621-R624 PolarHBondContact O-N 3.26Å; L622-R624 VanDerWaalsContact C-N 3.26Å; L622-R624 PolarHBondContact O-N 3.18Å; R624-Y628 WeakPolarHBondContact O-CB 3.39Å; R624-Y628 PolarHBondContact O-N 3.03Å
625	L	96.6	Very high	95.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-65	-44.4	175.2	-55.6	-170.8	0	0	0	111.5	I535 A538 A539 I542 I570 L571 I574 V621 L622 Y628 L629	I535-L625 HydrophobicContact CG2-CD1 4.06Å; A538-L625 HydrophobicContact CB-CB 4Å; A538-L625 HydrophobicContact CB-CD1 3.93Å; A539-L625 HydrophobicContact CB-CD1 4.29Å; I542-L625 HydrophobicContact CD1-CB 3.81Å; I542-L625 HydrophobicContact CD1-CD2 3.91Å; I542-L625 HydrophobicContact CD1-CG 4.33Å; I570-L625 HydrophobicContact CB-CD2 4.31Å; I570-L625 HydrophobicContact CD1-CD2 3.88Å; I570-L625 HydrophobicContact CG1-CD2 4.29Å; L571-L625 HydrophobicContact CD2-CD2 3.93Å; I574-L625 HydrophobicContact CD1-CD1 4.15Å; I574-L625 HydrophobicContact CD1-CD2 4.39Å; I574-L625 HydrophobicContact CG1-CD1 4.42Å; V621-L625 PolarHBondContact O-N 3.32Å; L622-L625 WeakPolarHBondContact O-CA 3.24Å; L622-L625 WeakPolarHBondContact O-CB 3.45Å; L622-L625 PolarHBondContact O-N 2.89Å; L625-Y628 PolarHBondContact O-N 3.34Å; L625-L629 WeakPolarHBondContact O-CG 3.45Å; L625-L629 PolarHBondContact O-N 3.06Å
626	L	97.2	Very high	95.4	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.037	12%	0.124	C	C	.	.	H	α-helix	trans	-71	-37.4	-178.4	-60.6	-163.5	0	0	0	112	L237 A538 L622 D623 Y628 L629 R630 Y637 Y638	L237-L626 HydrophobicContact CD1-CB 3.59Å; L237-L626 HydrophobicContact CD1-CD1 4.17Å; L237-L626 HydrophobicContact CD1-CG 4.42Å; A538-L626 HydrophobicContact CB-CD2 3.9Å; L622-L626 HydrophobicContact CD1-CD1 4.11Å; L622-L626 HydrophobicContact CD1-CD2 3.83Å; L622-L626 HydrophobicContact CD1-CG 3.76Å; L622-L626 HydrophobicContact CD2-CD1 4.47Å; L622-L626 HydrophobicContact CG-CD1 3.99Å; L622-L626 HydrophobicContact CG-CG 3.98Å; L622-L626 WeakPolarHBondContact O-CG 3.49Å; L622-L626 PolarHBondContact O-N 2.92Å; D623-L626 PolarHBondContact O-N 2.61Å; L626-Y628 VanDerWaalsContact C-N 3.35Å; L626-L629 HydrophobicContact CD2-CD1 4.11Å; L626-L629 PolarHBondContact O-N 3.28Å; L626-R630 WeakPolarHBondContact O-CB 3.42Å; L626-R630 PolarHBondContact O-N 2.95Å; L626-Y637 HydrophobicContact CD1-CD1 3.93Å; L626-Y637 HydrophobicContact CD1-CG 4.38Å; L626-Y637 HydrophobicContact CD2-CD1 3.67Å; L626-Y637 HydrophobicContact CD2-CD2 3.86Å; L626-Y637 HydrophobicContact CD2-CE1 4.31Å; L626-Y637 HydrophobicContact CD2-CE2 4.46Å; L626-Y637 HydrophobicContact CD2-CG 3.43Å; L626-Y637 VanDerWaalsContact CD2-CG 3.43Å; L626-Y637 HydrophobicContact CG-CD1 4.47Å; L626-Y638 HydrophobicContact CD1-CD2 3.99Å; L626-Y638 HydrophobicContact CD1-CE2 3.4Å
627	L	96.8	Very high	95.7	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-64.9	-36.7	171.4	-75.9	166.1	0	0	0	111.9	F223 F232 L237 V248 D623 R630 I631	F223-L627 HydrophobicContact CE2-CB 4.23Å; F232-L627 HydrophobicContact CD1-CD1 3.73Å; F232-L627 HydrophobicContact CE1-CD1 4.16Å; F232-L627 HydrophobicContact CG-CD1 4.27Å; L237-L627 HydrophobicContact CD1-CG 4.39Å; L237-L627 HydrophobicContact CD2-CD2 4.13Å; L237-L627 HydrophobicContact CD2-CG 4.26Å; V248-L627 HydrophobicContact CG1-CD2 4.47Å; D623-L627 VanDerWaalsContact O-CB 3.23Å; D623-L627 WeakPolarHBondContact O-CB 3.16Å; D623-L627 WeakPolarHBondContact O-CD1 3.22Å; D623-L627 VanDerWaalsContact O-CG 3.22Å; D623-L627 WeakPolarHBondContact O-CG 3.14Å; D623-L627 PolarHBondContact O-N 3.34Å; L627-R630 PolarHBondContact O-N 3.35Å; L627-I631 HydrophobicContact CD2-CD1 4.36Å; L627-I631 VanDerWaalsContact O-CB 3.27Å; L627-I631 WeakPolarHBondContact O-CB 3.49Å; L627-I631 VanDerWaalsContact O-CG1 3.32Å; L627-I631 WeakPolarHBondContact O-CG1 3.44Å; L627-I631 PolarHBondContact O-N 3.19Å
628	Y	97.1	Very high	95.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65	-50.8	173.2	-179.1	-85	0	0	0	111.9	L220 F223 M224 I542 D546 W552 N568 I570 R624 L625 L626 R630 I631 V632 H633	L220-Y628 HydrophobicContact CD1-CE2 3.52Å; F223-Y628 AromaticContact CD1-CD2 3.76Å; F223-Y628 HydrophobicContact CD1-CD2 3.76Å; F223-Y628 HydrophobicContact CD1-CE2 4.41Å; F223-Y628 HydrophobicContact CD2-CD2 4.41Å; F223-Y628 AromaticContact CE1-CD2 3.71Å; F223-Y628 HydrophobicContact CE1-CD2 3.71Å; F223-Y628 VanDerWaalsContact CE2-CA 3.49Å; F223-Y628 HydrophobicContact CE2-CD2 4.37Å; F223-Y628 HydrophobicContact CG-CD2 4.12Å; F223-Y628 HydrophobicContact CZ-CD2 4.03Å; F223-Y628 HydrophobicContact CZ-CG 4.44Å; M224-Y628 HydrophobicContact CE-CE2 4.14Å; I542-Y628 HydrophobicContact CD1-CD1 4.11Å; I542-Y628 HydrophobicContact CG1-CD1 4Å; I542-Y628 HydrophobicContact CG1-CE1 4.43Å; I542-Y628 HydrophobicContact CG2-CD1 3.98Å; I542-Y628 HydrophobicContact CG2-CE1 3.67Å; D546-Y628 WeakPolarHBondContact OD1-CE1 3.21Å; D546-Y628 PolarHBondContact OD1-OH 2.66Å; D546-Y628 PolarHBondContact OD2-OH 2.61Å; W552-Y628 PolarHBondContact NE1-OH 2.84Å; N568-Y628 PolarHBondContact ND2-OH 2.93Å; N568-Y628 VanDerWaalsContact ND2-OH 3.17Å; I570-Y628 HydrophobicContact CD1-CD1 3.99Å; I570-Y628 HydrophobicContact CD1-CD2 3.66Å; I570-Y628 HydrophobicContact CD1-CE2 4.42Å; I570-Y628 HydrophobicContact CD1-CG 3.4Å; I570-Y628 VanDerWaalsContact CD1-CG 3.4Å; I570-Y628 HydrophobicContact CG1-CD2 4.42Å; R624-Y628 WeakPolarHBondContact O-CB 3.39Å; R624-Y628 PolarHBondContact O-N 3.03Å; L625-Y628 PolarHBondContact O-N 3.34Å; L626-Y628 VanDerWaalsContact C-N 3.35Å; Y628-R630 PolarHBondContact O-N 3.26Å; Y628-I631 PolarHBondContact O-N 3.37Å; Y628-V632 HydrophobicContact CD1-CB 4.47Å; Y628-V632 HydrophobicContact CD1-CG2 4.44Å; Y628-V632 HydrophobicContact CD2-CG2 3.72Å; Y628-V632 HydrophobicContact CE1-CB 4.29Å; Y628-V632 HydrophobicContact CE1-CG2 4.41Å; Y628-V632 HydrophobicContact CE2-CB 4.41Å; Y628-V632 HydrophobicContact CE2-CG2 3.71Å; Y628-V632 HydrophobicContact CG-CG2 4.1Å; Y628-V632 WeakPolarHBondContact O-CA 3.4Å; Y628-V632 VanDerWaalsContact O-CB 3.28Å; Y628-V632 WeakPolarHBondContact O-CB 3.37Å; Y628-V632 PolarHBondContact O-N 3.4Å; Y628-H633 AromaticContact CE1-CD2 3.59Å; Y628-H633 AromaticContact CE1-NE2 3.64Å
629	L	96.9	Very high	96	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-54	-40.1	174.7	-77.3	170.7	0	0	0	111.6	A538 L541 I542 L545 L625 L626 H633 S634 V635 Y637	A538-L629 HydrophobicContact CB-CD1 4.04Å; L541-L629 HydrophobicContact CB-CD2 4.46Å; L541-L629 HydrophobicContact CD2-CD1 4.18Å; L541-L629 HydrophobicContact CD2-CD2 4.07Å; L541-L629 HydrophobicContact CG-CD2 3.99Å; I542-L629 HydrophobicContact CD1-CG 4.16Å; I542-L629 HydrophobicContact CG1-CD1 4.24Å; I542-L629 HydrophobicContact CG1-CD2 3.59Å; I542-L629 HydrophobicContact CG1-CG 3.65Å; L545-L629 HydrophobicContact CD1-CD2 3.75Å; L625-L629 WeakPolarHBondContact O-CG 3.45Å; L625-L629 PolarHBondContact O-N 3.06Å; L626-L629 HydrophobicContact CD2-CD1 4.11Å; L626-L629 PolarHBondContact O-N 3.28Å; L629-H633 CarbonylContact O-C 3.59Å; L629-H633 PolarHBondContact O-N 3.5Å; L629-S634 PolarHBondContact O-N 3.38Å; L629-S634 VanDerWaalsContact O-N 3.15Å; L629-V635 HydrophobicContact CB-CB 4.38Å; L629-V635 PolarHBondContact O-N 3.38Å; L629-Y637 HydrophobicContact CD1-CD2 4.2Å
630	R	97.1	Very high	96	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.011	10%	0.099	C	C	.	.	H	α-helix	trans	-78.2	-44	-176.4	-175.6	63.1	-166.3	89.2	-11.1	114	L626 L627 Y628 V635 E646 M655 I656	L626-R630 WeakPolarHBondContact O-CB 3.42Å; L626-R630 PolarHBondContact O-N 2.95Å; L627-R630 PolarHBondContact O-N 3.35Å; Y628-R630 PolarHBondContact O-N 3.26Å; R630-V635 VanDerWaalsContact CA-O 3.25Å; R630-V635 WeakPolarHBondContact CA-O 3.43Å; R630-V635 WeakPolarHBondContact CD-O 3.41Å; R630-V635 PolarHBondContact N-O 2.9Å; R630-E646 IonicContact CZ-OE1 2.61Å; R630-E646 IonicContact CZ-OE2 2.86Å; R630-E646 IonicContact NH1-OE1 3.58Å; R630-E646 IonicContact NH1-OE2 2.72Å; R630-E646 PolarHBondContact NH1-OE2 3.46Å; R630-E646 IonicContact NH2-OE1 2.84Å; R630-E646 PolarHBondContact NH2-OE1 2.82Å; R630-E646 IonicContact NH2-OE2 3.24Å; R630-E646 PolarHBondContact NH2-OE2 3.41Å; R630-M655 VanDerWaalsContact CZ-O 3.25Å; R630-M655 PolarHBondContact NE-O 3.01Å; R630-M655 PolarHBondContact NH2-O 3.27Å; R630-I656 HydrophobicContact CG-CD1 4.05Å; R630-I656 HydrophobicContact CG-CG1 4.24Å
631	I	96.6	Very high	96	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-79.5	-51.4	-177.7	-65.8	170.2	0	0	0	109.6	R219 F223 L226 F232 L249 A252 L627 Y628	R219-I631 VanDerWaalsContact CZ-O 3.31Å; R219-I631 PolarHBondContact NE-O 3.18Å; R219-I631 PolarHBondContact NH2-O 3.42Å; F223-I631 HydrophobicContact CB-CG2 4.18Å; F223-I631 HydrophobicContact CD2-CB 4.21Å; F223-I631 HydrophobicContact CD2-CD1 4.19Å; F223-I631 HydrophobicContact CD2-CG2 4.44Å; L226-I631 HydrophobicContact CD1-CD1 4.49Å; F232-I631 HydrophobicContact CE1-CD1 4.05Å; F232-I631 HydrophobicContact CZ-CD1 4.04Å; L249-I631 HydrophobicContact CD2-CG1 4.27Å; A252-I631 HydrophobicContact CB-CD1 4.42Å; A252-I631 HydrophobicContact CB-CG2 4.22Å; L627-I631 HydrophobicContact CD2-CD1 4.36Å; L627-I631 VanDerWaalsContact O-CB 3.27Å; L627-I631 WeakPolarHBondContact O-CB 3.49Å; L627-I631 VanDerWaalsContact O-CG1 3.32Å; L627-I631 WeakPolarHBondContact O-CG1 3.44Å; L627-I631 PolarHBondContact O-N 3.19Å; Y628-I631 PolarHBondContact O-N 3.37Å
632	V	95.9	Very high	95.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-68.3	-178.3	-172.8	0	0	0	0	110.6	L216 R219 L220 F223 L551 Y628 S634	L216-V632 HydrophobicContact CD1-CG1 4.17Å; L216-V632 WeakPolarHBondContact CD1-O 3.47Å; L216-V632 HydrophobicContact CG-CG1 4.45Å; R219-V632 PolarHBondContact NE-O 3.12Å; L220-V632 HydrophobicContact CB-CG1 4.14Å; L220-V632 HydrophobicContact CD1-CG1 4.24Å; L220-V632 HydrophobicContact CD1-CG2 4.1Å; F223-V632 HydrophobicContact CB-CG2 3.72Å; F223-V632 HydrophobicContact CD2-CG2 4.46Å; F223-V632 HydrophobicContact CG-CG2 4.06Å; L551-V632 HydrophobicContact CD1-CG1 3.9Å; Y628-V632 HydrophobicContact CD1-CB 4.47Å; Y628-V632 HydrophobicContact CD1-CG2 4.44Å; Y628-V632 HydrophobicContact CD2-CG2 3.72Å; Y628-V632 HydrophobicContact CE1-CB 4.29Å; Y628-V632 HydrophobicContact CE1-CG2 4.41Å; Y628-V632 HydrophobicContact CE2-CB 4.41Å; Y628-V632 HydrophobicContact CE2-CG2 3.71Å; Y628-V632 HydrophobicContact CG-CG2 4.1Å; Y628-V632 WeakPolarHBondContact O-CA 3.4Å; Y628-V632 VanDerWaalsContact O-CB 3.28Å; Y628-V632 WeakPolarHBondContact O-CB 3.37Å; Y628-V632 PolarHBondContact O-N 3.4Å; V632-S634 VanDerWaalsContact C-N 3.34Å; V632-S634 PolarHBondContact O-N 2.97Å
633	H	94.8	Very high	95.8	Very high	15 Å²	15	21.3 Å²	21.3	7%	0.069	10%	0.101	C	C	.	.	S	Bend	trans	-84.6	1.5	-169.1	-68.6	-67.7	0	0	0	115.4	L545 D546 Y628 L629 V635	L545-H633 VanDerWaalsContact C-CE1 3.46Å; L545-H633 HydrophobicContact CD1-CB 3.96Å; L545-H633 PolarHBondContact O-CE1 3.47Å; D546-H633 IonicContact OD1-CD2 2.74Å; D546-H633 IonicContact OD1-CE1 3.05Å; D546-H633 IonicContact OD1-NE2 2.69Å; D546-H633 PolarHBondContact OD1-NE2 2.95Å; Y628-H633 AromaticContact CE1-CD2 3.59Å; Y628-H633 AromaticContact CE1-NE2 3.64Å; L629-H633 CarbonylContact O-C 3.59Å; L629-H633 PolarHBondContact O-N 3.5Å; H633-V635 HydrophobicContact CB-CG2 4.21Å; H633-V635 PolarHBondContact O-N 3.2Å
634	S	95.9	Very high	95.4	Very high	13 Å²	13	26 Å²	26	9%	0.091	13%	0.132	C	C	.	.			trans	58.9	27.8	-178.2	-44.2	0	0	0	0	114.2	R219 L629 V632 Y643	R219-S634 PolarHBondContact NE-OG 3.31Å; R219-S634 PolarHBondContact NH2-OG 2.89Å; R219-S634 VanDerWaalsContact NH2-OG 3.07Å; L629-S634 PolarHBondContact O-N 3.38Å; L629-S634 VanDerWaalsContact O-N 3.15Å; V632-S634 VanDerWaalsContact C-N 3.34Å; V632-S634 PolarHBondContact O-N 2.97Å; S634-Y643 PolarHBondContact O-N 3.31Å
635	V	95.9	Very high	95.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.2	-179.4	174	0	0	0	0	111.1	L541 L545 L629 R630 H633 E642 L686	L541-V635 HydrophobicContact CD2-CG1 4.28Å; L545-V635 HydrophobicContact CD1-CG2 3.96Å; L629-V635 HydrophobicContact CB-CB 4.38Å; L629-V635 PolarHBondContact O-N 3.38Å; R630-V635 VanDerWaalsContact CA-O 3.25Å; R630-V635 WeakPolarHBondContact CA-O 3.43Å; R630-V635 WeakPolarHBondContact CD-O 3.41Å; R630-V635 PolarHBondContact N-O 2.9Å; H633-V635 HydrophobicContact CB-CG2 4.21Å; H633-V635 PolarHBondContact O-N 3.2Å; V635-E642 HydrophobicContact CG2-CB 4.37Å; V635-E642 HydrophobicContact CG2-CG 4.27Å; V635-L686 HydrophobicContact CG1-CD1 3.98Å
636	D	96.6	Very high	94.9	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.011	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	91.5	172.6	-168.6	-12.5	0	0	0	109.2	Y638 N639 T640 C641 Y643 I656 H657	D636-Y638 PolarHBondContact O-N 3.02Å; D636-N639 HydrophobicContact CB-CB 4.15Å; D636-N639 CarbonylContact O-C 3.41Å; D636-N639 PolarHBondContact O-N 3.44Å; D636-N639 VanDerWaalsContact O-N 3.17Å; D636-T640 PolarHBondContact O-N 3.49Å; D636-C641 PolarHBondContact N-O 2.89Å; D636-C641 PolarHBondContact O-N 3.05Å; D636-Y643 HydrophobicContact CB-CE2 3.88Å; D636-Y643 PolarHBondContact OD2-OH 2.96Å; D636-I656 WeakPolarHBondContact OD2-CA 3.26Å; D636-H657 WeakPolarHBondContact OD1-CB 3.4Å; D636-H657 IonicContact OD1-CG 2.71Å; D636-H657 PolarHBondContact OD1-N 2.96Å; D636-H657 IonicContact OD1-ND1 3Å; D636-H657 IonicContact OD2-CE1 2.69Å; D636-H657 IonicContact OD2-CG 2.62Å; D636-H657 PolarHBondContact OD2-N 3.46Å; D636-H657 IonicContact OD2-ND1 2.73Å; D636-H657 PolarHBondContact OD2-ND1 2.84Å
637	Y	97.1	Very high	94.6	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.027	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-55.3	-52.6	-170.2	178.3	-93.8	0	0	0	113	D534 L537 A538 L626 L629 N639 T640 L683	D534-Y637 WeakPolarHBondContact CA-OH 3.49Å; D534-Y637 HydrophobicContact CB-CE1 4.13Å; D534-Y637 WeakPolarHBondContact OD1-CE1 3.27Å; D534-Y637 PolarHBondContact OD1-OH 3.41Å; L537-Y637 HydrophobicContact CB-CE2 4.43Å; A538-Y637 HydrophobicContact CB-CE2 4.29Å; L626-Y637 HydrophobicContact CD1-CD1 3.93Å; L626-Y637 HydrophobicContact CD1-CG 4.38Å; L626-Y637 HydrophobicContact CD2-CD1 3.67Å; L626-Y637 HydrophobicContact CD2-CD2 3.86Å; L626-Y637 HydrophobicContact CD2-CE1 4.31Å; L626-Y637 HydrophobicContact CD2-CE2 4.46Å; L626-Y637 HydrophobicContact CD2-CG 3.43Å; L626-Y637 VanDerWaalsContact CD2-CG 3.43Å; L626-Y637 HydrophobicContact CG-CD1 4.47Å; L629-Y637 HydrophobicContact CD1-CD2 4.2Å; Y637-N639 PolarHBondContact O-N 3.02Å; Y637-T640 WeakPolarHBondContact O-CA 3.46Å; Y637-T640 WeakPolarHBondContact O-CG2 3.32Å; Y637-T640 PolarHBondContact O-N 3.07Å; Y637-L683 HydrophobicContact CD2-CD1 4.36Å; Y637-L683 HydrophobicContact CD2-CD2 4.16Å; Y637-L683 HydrophobicContact CE2-CD1 3.54Å; Y637-L683 HydrophobicContact CE2-CD2 4.16Å
638	Y	96.5	Very high	94.4	Very high	24 Å²	24	27.3 Å²	27.3	9%	0.094	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-70.5	-16.8	-177.6	-74.3	-52.1	0	0	0	113.5	V521 T525 D534 L622 L626 D636 R659	V521-Y638 HydrophobicContact CG2-CD1 4.07Å; V521-Y638 HydrophobicContact CG2-CG 4Å; T525-Y638 HydrophobicContact CG2-CD1 4Å; T525-Y638 HydrophobicContact CG2-CE1 3.65Å; D534-Y638 WeakPolarHBondContact OD2-CE1 3.45Å; L622-Y638 WeakPolarHBondContact CD2-OH 3.39Å; L626-Y638 HydrophobicContact CD1-CD2 3.99Å; L626-Y638 HydrophobicContact CD1-CE2 3.4Å; D636-Y638 PolarHBondContact O-N 3.02Å; Y638-R659 HydrophobicContact CE2-CG 3.75Å; Y638-R659 WeakPolarHBondContact OH-CG 3.28Å
639	N	95.6	Very high	94.2	Very high	66 Å²	66	29.5 Å²	29.5	35%	0.353	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-94.2	-4.7	168.9	-162.8	53.8	0	0	0	113.3	D636 Y637 C641 H657	D636-N639 HydrophobicContact CB-CB 4.15Å; D636-N639 CarbonylContact O-C 3.41Å; D636-N639 PolarHBondContact O-N 3.44Å; D636-N639 VanDerWaalsContact O-N 3.17Å; Y637-N639 PolarHBondContact O-N 3.02Å; N639-C641 PolarHBondContact ND2-SG 3.23Å; N639-C641 PolarHBondContact O-N 2.89Å; N639-H657 HydrophobicContact CB-CB 4.23Å; N639-H657 WeakPolarHBondContact CB-ND1 3.41Å
640	T	94.4	Very high	94.1	Very high	36 Å²	36	29.8 Å²	29.8	22%	0.221	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	44	-179.3	58.6	0	0	0	0	113.5	D636 Y637 K682 L683	D636-T640 PolarHBondContact O-N 3.49Å; Y637-T640 WeakPolarHBondContact O-CA 3.46Å; Y637-T640 WeakPolarHBondContact O-CG2 3.32Å; Y637-T640 PolarHBondContact O-N 3.07Å; T640-K682 HydrophobicContact CG2-CB 3.77Å; T640-K682 HydrophobicContact CG2-CD 4.48Å; T640-L683 HydrophobicContact CG2-CD2 3.77Å; T640-L683 HydrophobicContact CG2-CG 3.94Å
641	C	92.9	Very high	93.8	Very high	30 Å²	30	31.8 Å²	31.8	20%	0.203	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.1	179.5	72.3	0	0	0	0	115.2	D636 N639 Y643	D636-C641 PolarHBondContact N-O 2.89Å; D636-C641 PolarHBondContact O-N 3.05Å; N639-C641 PolarHBondContact ND2-SG 3.23Å; N639-C641 PolarHBondContact O-N 2.89Å; C641-Y643 VanDerWaalsContact SG-CE1 3.54Å
642	E	92.4	Very high	93.4	Very high	74 Å²	74	32.4 Å²	32.4	35%	0.346	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	151.5	166.6	-167.8	176.6	-150.1	0	0	109.9	K548 V635 P644 L686	K548-E642 IonicContact NZ-OE1 2.77Å; K548-E642 PolarHBondContact NZ-OE1 3.3Å; K548-E642 IonicContact NZ-OE2 3.62Å; V635-E642 HydrophobicContact CG2-CB 4.37Å; V635-E642 HydrophobicContact CG2-CG 4.27Å; E642-P644 HydrophobicContact CB-CG 4.44Å; E642-P644 HydrophobicContact CG-CG 4.02Å; E642-P644 WeakPolarHBondContact O-CD 3.39Å; E642-L686 HydrophobicContact CB-CD2 4.3Å
643	Y	93.1	Very high	93.3	Very high	44 Å²	44	32.4 Å²	32.4	17%	0.173	18%	0.175	C	C	.	.			trans	-115.9	76.4	168.5	-60.3	-45.9	0	0	0	110.7	S634 D636 C641 S645 E646 M655	S634-Y643 PolarHBondContact O-N 3.31Å; D636-Y643 HydrophobicContact CB-CE2 3.88Å; D636-Y643 PolarHBondContact OD2-OH 2.96Å; C641-Y643 VanDerWaalsContact SG-CE1 3.54Å; Y643-S645 VanDerWaalsContact C-N 3.31Å; Y643-S645 PolarHBondContact O-N 2.68Å; Y643-S645 VanDerWaalsContact O-N 3.16Å; Y643-E646 WeakPolarHBondContact O-CB 3.18Å; Y643-E646 PolarHBondContact O-N 3.32Å; Y643-E646 VanDerWaalsContact O-N 3.09Å; Y643-M655 HydrophobicContact CE1-CE 4.48Å
644	P	88.3	Confident	93	Very high	102 Å²	102	31.9 Å²	31.9	66%	0.662	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.2	-164.7	-24.8	34.4	0	0	0	115.1	E642	E642-P644 HydrophobicContact CB-CG 4.44Å; E642-P644 HydrophobicContact CG-CG 4.02Å; E642-P644 WeakPolarHBondContact O-CD 3.39Å
645	S	89.1	Confident	92.9	Very high	45 Å²	45	33.4 Å²	33.4	32%	0.315	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	17.4	-178.9	-41.3	0	0	0	0	113.4	Y643 D647 E648 M649	Y643-S645 VanDerWaalsContact C-N 3.31Å; Y643-S645 PolarHBondContact O-N 2.68Å; Y643-S645 VanDerWaalsContact O-N 3.16Å; S645-D647 PolarHBondContact O-N 2.92Å; S645-D647 VanDerWaalsContact O-N 3.16Å; S645-E648 PolarHBondContact O-N 3.23Å; S645-E648 VanDerWaalsContact O-N 3.13Å; S645-M649 VanDerWaalsContact O-CG 3.32Å; S645-M649 WeakPolarHBondContact O-CG 3.25Å; S645-M649 PolarHBondContact O-N 2.93Å; S645-M649 VanDerWaalsContact O-N 3.12Å
646	E	92.6	Very high	93	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.056	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.4	-174.7	-161	175.7	-141.4	0	0	112.6	R219 R630 Y643 E648 M649 N651 R652 C653 G654	R219-E646 IonicContact NH2-OE2 2.73Å; R219-E646 PolarHBondContact NH2-OE2 3.25Å; R219-E646 VanDerWaalsContact NH2-OE2 3.17Å; R630-E646 IonicContact CZ-OE1 2.61Å; R630-E646 IonicContact CZ-OE2 2.86Å; R630-E646 IonicContact NH1-OE1 3.58Å; R630-E646 IonicContact NH1-OE2 2.72Å; R630-E646 PolarHBondContact NH1-OE2 3.46Å; R630-E646 IonicContact NH2-OE1 2.84Å; R630-E646 PolarHBondContact NH2-OE1 2.82Å; R630-E646 IonicContact NH2-OE2 3.24Å; R630-E646 PolarHBondContact NH2-OE2 3.41Å; Y643-E646 WeakPolarHBondContact O-CB 3.18Å; Y643-E646 PolarHBondContact O-N 3.32Å; Y643-E646 VanDerWaalsContact O-N 3.09Å; E646-E648 VanDerWaalsContact C-N 3.3Å; E646-E648 PolarHBondContact O-N 3.34Å; E646-M649 PolarHBondContact O-N 3.32Å; E646-N651 WeakPolarHBondContact CG-O 3.39Å; E646-R652 VanDerWaalsContact CG-O 3.28Å; E646-R652 WeakPolarHBondContact CG-O 3.28Å; E646-C653 WeakPolarHBondContact OE1-CA 3.45Å; E646-G654 PolarHBondContact OE1-N 2.95Å
647	D	92	Very high	93	Very high	42 Å²	42	34.3 Å²	34.3	23%	0.225	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-28.3	179.9	-135.6	59	0	0	0	113.8	R219 S645 R652	R219-D647 IonicContact NH1-OD1 3.67Å; R219-D647 PolarHBondContact NH1-OD1 3.49Å; R219-D647 VanDerWaalsContact NH1-OD1 3.15Å; S645-D647 PolarHBondContact O-N 2.92Å; S645-D647 VanDerWaalsContact O-N 3.16Å; D647-R652 WeakPolarHBondContact O-CD 3.49Å; D647-R652 PolarHBondContact O-NE 3.44Å; D647-R652 IonicContact OD1-CZ 3.39Å; D647-R652 IonicContact OD1-NE 3.59Å; D647-R652 PolarHBondContact OD1-NE 3.4Å; D647-R652 IonicContact OD1-NH2 2.77Å; D647-R652 PolarHBondContact OD1-NH2 3.17Å; D647-R652 IonicContact OD2-CZ 3.04Å; D647-R652 IonicContact OD2-NE 3.5Å; D647-R652 IonicContact OD2-NH2 3.39Å; D647-R652 PolarHBondContact OD2-NH2 3.46Å
648	E	92.1	Very high	93	Very high	57 Å²	57	34 Å²	34	27%	0.266	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-28.2	175	-56.5	-161.3	158.4	0	0	112.6	K448 R463 C465 S645 E646	K448-E648 IonicContact NZ-OE1 3.51Å; K448-E648 PolarHBondContact NZ-OE1 3.27Å; K448-E648 IonicContact NZ-OE2 3.17Å; K448-E648 PolarHBondContact NZ-OE2 2.86Å; R463-E648 PolarHBondContact NH1-O 3.15Å; C465-E648 HydrophobicContact CB-CB 3.57Å; C465-E648 VanDerWaalsContact SG-CB 3.58Å; S645-E648 PolarHBondContact O-N 3.23Å; S645-E648 VanDerWaalsContact O-N 3.13Å; E646-E648 VanDerWaalsContact C-N 3.3Å; E646-E648 PolarHBondContact O-N 3.34Å
649	M	93.3	Very high	92.9	Very high	45 Å²	45	32.9 Å²	32.9	22%	0.222	18%	0.178	C	C	.	.	S	Bend	trans	-64.9	149.2	-177.5	-79.8	-76.2	173.6	0	0	112.6	R463 C465 W480 S645 E646 N651	R463-M649 VanDerWaalsContact NH1-C 3.28Å; R463-M649 PolarHBondContact NH1-O 3.24Å; C465-M649 HydrophobicContact CB-CE 4.47Å; C465-M649 HydrophobicContact CB-SD 4.45Å; W480-M649 HydrophobicContact CD2-CE 3.91Å; W480-M649 HydrophobicContact CD2-SD 3.86Å; W480-M649 HydrophobicContact CE3-CE 3.47Å; W480-M649 VanDerWaalsContact CE3-CE 3.47Å; W480-M649 HydrophobicContact CE3-SD 4.03Å; W480-M649 HydrophobicContact CG-SD 4.1Å; W480-M649 HydrophobicContact CH2-CE 4Å; W480-M649 HydrophobicContact CZ2-CE 4.39Å; W480-M649 HydrophobicContact CZ3-CE 3.54Å; S645-M649 VanDerWaalsContact O-CG 3.32Å; S645-M649 WeakPolarHBondContact O-CG 3.25Å; S645-M649 PolarHBondContact O-N 2.93Å; S645-M649 VanDerWaalsContact O-N 3.12Å; E646-M649 PolarHBondContact O-N 3.32Å; M649-N651 PolarHBondContact O-N 3.34Å
650	P	93	Very high	92.8	Very high	7 Å²	7	29.7 Å²	29.7	5%	0.045	16%	0.162	C	C	.	.	S	Bend	trans	-51.7	-32	-173.3	-29.4	34	0	0	0	115.8	T434 S436 W480 T482	T434-P650 PolarHBondContact OG1-O 2.79Å; S436-P650 VanDerWaalsContact CB-CG 3.45Å; S436-P650 WeakPolarHBondContact OG-CB 3.34Å; S436-P650 WeakPolarHBondContact OG-CG 3.44Å; W480-P650 HydrophobicContact CB-CG 4.05Å; W480-P650 HydrophobicContact CG-CG 4.42Å; T482-P650 HydrophobicContact CG2-CB 4.15Å; T482-P650 WeakPolarHBondContact OG1-CA 3.14Å
651	N	91.5	Very high	92.7	Very high	45 Å²	45	31.3 Å²	31.3	24%	0.241	17%	0.173	C	C	.	.			trans	-111.3	108.8	177	-52.7	-87.7	0	0	0	109.7	L514 E646 M649 C653	L514-N651 HydrophobicContact CD1-CB 4.21Å; E646-N651 WeakPolarHBondContact CG-O 3.39Å; M649-N651 PolarHBondContact O-N 3.34Å; N651-C653 VanDerWaalsContact C-N 3.3Å; N651-C653 PolarHBondContact O-N 2.84Å
652	R	88.8	Confident	92.5	Very high	13 Å²	13	33.4 Å²	33.4	5%	0.049	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.3	-175.9	-57.6	-78.4	-73.5	-79.1	10.6	114.9	R219 V253 M256 E257 E646 D647	R219-R652 PolarHBondContact NH1-O 3.03Å; R219-R652 PolarHBondContact NH2-O 2.97Å; V253-R652 HydrophobicContact CG1-CB 4.27Å; V253-R652 HydrophobicContact CG1-CG 4.37Å; V253-R652 HydrophobicContact CG2-CB 4.22Å; M256-R652 HydrophobicContact CE-CB 3.58Å; M256-R652 PolarHBondContact O-NH1 3.37Å; M256-R652 VanDerWaalsContact O-NH1 3.08Å; M256-R652 PolarHBondContact O-NH2 3.25Å; M256-R652 HydrophobicContact SD-CB 4.42Å; E257-R652 WeakPolarHBondContact OE1-CD 3.22Å; E257-R652 WeakPolarHBondContact OE1-CG 3.49Å; E257-R652 IonicContact OE1-CZ 2.68Å; E257-R652 IonicContact OE1-NE 3.53Å; E257-R652 IonicContact OE1-NH1 2.66Å; E257-R652 PolarHBondContact OE1-NH1 2.71Å; E257-R652 IonicContact OE2-NH1 2.68Å; E257-R652 PolarHBondContact OE2-NH1 2.95Å; E646-R652 VanDerWaalsContact CG-O 3.28Å; E646-R652 WeakPolarHBondContact CG-O 3.28Å; D647-R652 WeakPolarHBondContact O-CD 3.49Å; D647-R652 PolarHBondContact O-NE 3.44Å; D647-R652 IonicContact OD1-CZ 3.39Å; D647-R652 IonicContact OD1-NE 3.59Å; D647-R652 PolarHBondContact OD1-NE 3.4Å; D647-R652 IonicContact OD1-NH2 2.77Å; D647-R652 PolarHBondContact OD1-NH2 3.17Å; D647-R652 IonicContact OD2-CZ 3.04Å; D647-R652 IonicContact OD2-NE 3.5Å; D647-R652 IonicContact OD2-NH2 3.39Å; D647-R652 PolarHBondContact OD2-NH2 3.46Å
653	C	92.9	Very high	92.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.7	77.9	166.8	-82	0	0	0	0	108.4	L249 V253 M256 R517 E646 N651	L249-C653 HydrophobicContact CB-CB 4.41Å; L249-C653 HydrophobicContact CD2-CB 4.21Å; V253-C653 HydrophobicContact CG2-CB 3.92Å; M256-C653 HydrophobicContact CE-CB 4.41Å; R517-C653 PolarHBondContact NH2-O 2.92Å; E646-C653 WeakPolarHBondContact OE1-CA 3.45Å; N651-C653 VanDerWaalsContact C-N 3.3Å; N651-C653 PolarHBondContact O-N 2.84Å
654	G	89.6	Confident	91.7	Very high	4 Å²	4	35.5 Å²	35.5	4%	0.041	21%	0.21	C	C	.	.			trans	-72.2	-76.1	-169.5	0	0	0	0	0	114.5	R517 E646	R517-G654 WeakPolarHBondContact CB-O 3.34Å; R517-G654 VanDerWaalsContact CG-O 3.26Å; R517-G654 WeakPolarHBondContact CG-O 3.34Å; R517-G654 PolarHBondContact NE-O 2.78Å; E646-G654 PolarHBondContact OE1-N 2.95Å
655	M	94.1	Very high	91.6	Very high	45 Å²	45	36.8 Å²	36.8	22%	0.222	21%	0.211	C	C	.	.			trans	-110.1	154.3	-175.3	-61.5	178.2	-64.5	0	0	111.7	L514 R517 R519 R630 Y643	L514-M655 HydrophobicContact CD1-CG 4.09Å; L514-M655 HydrophobicContact CD2-CG 4.5Å; R517-M655 WeakPolarHBondContact O-CA 3.49Å; R519-M655 VanDerWaalsContact CZ-SD 3.57Å; R519-M655 PolarHBondContact NH2-SD 3.37Å; R630-M655 VanDerWaalsContact CZ-O 3.25Å; R630-M655 PolarHBondContact NE-O 3.01Å; R630-M655 PolarHBondContact NH2-O 3.27Å; Y643-M655 HydrophobicContact CE1-CE 4.48Å
656	I	96.6	Very high	91.4	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	137.9	172.8	-170.1	175.6	0	0	0	109.1	L237 I245 L249 R517 V518 R519 R630 D636 V658	L237-I656 HydrophobicContact CD2-CD1 4.12Å; I245-I656 HydrophobicContact CG2-CD1 4.34Å; I245-I656 HydrophobicContact CG2-CG2 4.06Å; L249-I656 HydrophobicContact CD1-CB 4.2Å; L249-I656 HydrophobicContact CD1-CD1 4.46Å; L249-I656 HydrophobicContact CD1-CG2 3.83Å; R517-I656 PolarHBondContact O-N 2.98Å; V518-I656 WeakPolarHBondContact CA-O 3.42Å; V518-I656 HydrophobicContact CB-CG2 4.42Å; V518-I656 HydrophobicContact CG2-CG2 3.92Å; R519-I656 PolarHBondContact N-O 2.99Å; R630-I656 HydrophobicContact CG-CD1 4.05Å; R630-I656 HydrophobicContact CG-CG1 4.24Å; D636-I656 WeakPolarHBondContact OD2-CA 3.26Å; I656-V658 HydrophobicContact CD1-CG1 4.44Å; I656-V658 HydrophobicContact CG1-CG1 4.26Å; I656-V658 HydrophobicContact CG2-CG1 4.18Å
657	H	97.2	Very high	91	Very high	18 Å²	18	40.2 Å²	40.2	8%	0.083	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	140.2	169.2	-64.5	67.8	0	0	0	110.3	R519 V521 D636 N639	R519-H657 WeakPolarHBondContact CD-NE2 3.44Å; R519-H657 CarbonylContact O-C 3.53Å; R519-H657 VanDerWaalsContact O-CA 3.24Å; R519-H657 WeakPolarHBondContact O-CA 3.43Å; V521-H657 HydrophobicContact CG1-CB 4.14Å; D636-H657 WeakPolarHBondContact OD1-CB 3.4Å; D636-H657 IonicContact OD1-CG 2.71Å; D636-H657 PolarHBondContact OD1-N 2.96Å; D636-H657 IonicContact OD1-ND1 3Å; D636-H657 IonicContact OD2-CE1 2.69Å; D636-H657 IonicContact OD2-CG 2.62Å; D636-H657 PolarHBondContact OD2-N 3.46Å; D636-H657 IonicContact OD2-ND1 2.73Å; D636-H657 PolarHBondContact OD2-ND1 2.84Å; N639-H657 HydrophobicContact CB-CB 4.23Å; N639-H657 WeakPolarHBondContact CB-ND1 3.41Å
658	V	96.8	Very high	90.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	164.6	-168.7	-56.6	0	0	0	0	110.3	L237 I239 I245 V518 R519 N520 V521 I656 G660	L237-V658 HydrophobicContact CB-CG1 4.46Å; L237-V658 WeakPolarHBondContact O-CB 3.23Å; I239-V658 HydrophobicContact CB-CG2 4.13Å; I239-V658 HydrophobicContact CD1-CG2 3.94Å; I245-V658 HydrophobicContact CD1-CG1 4.06Å; V518-V658 HydrophobicContact CG1-CB 4.31Å; V518-V658 HydrophobicContact CG1-CG1 3.84Å; V518-V658 HydrophobicContact CG1-CG2 3.44Å; V518-V658 VanDerWaalsContact CG1-CG2 3.44Å; R519-V658 WeakPolarHBondContact O-CG2 3.46Å; R519-V658 PolarHBondContact O-N 3.01Å; N520-V658 CarbonylContact C-O 3.59Å; N520-V658 WeakPolarHBondContact CA-O 3.28Å; V521-V658 PolarHBondContact N-O 3.06Å; I656-V658 HydrophobicContact CD1-CG1 4.44Å; I656-V658 HydrophobicContact CG1-CG1 4.26Å; I656-V658 HydrophobicContact CG2-CG1 4.18Å; V658-G660 PolarHBondContact O-N 3.23Å
659	R	95.6	Very high	90.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-63.1	130.6	-178.9	-62.5	-176	-69.3	-94.7	-6.5	110.6	S236 L237 D238 I239 T525 Q526 D623 Y638	S236-R659 PolarHBondContact OG-NH2 2.81Å; S236-R659 VanDerWaalsContact OG-NH2 3.09Å; L237-R659 WeakPolarHBondContact O-CB 3.41Å; L237-R659 PolarHBondContact O-N 3.4Å; D238-R659 IonicContact OD1-CZ 2.86Å; D238-R659 VanDerWaalsContact OD1-CZ 3.32Å; D238-R659 IonicContact OD1-NE 3.94Å; D238-R659 PolarHBondContact OD1-NE 3.45Å; D238-R659 IonicContact OD1-NH2 2.76Å; D238-R659 PolarHBondContact OD1-NH2 3.28Å; D238-R659 IonicContact OD2-NH2 2.86Å; I239-R659 PolarHBondContact N-O 2.86Å; T525-R659 WeakPolarHBondContact O-CD 3.36Å; Q526-R659 HydrophobicContact CG-CB 4.04Å; D623-R659 IonicContact OD1-CZ 3.65Å; D623-R659 VanDerWaalsContact OD1-CZ 3.3Å; D623-R659 IonicContact OD1-NH1 3.54Å; D623-R659 PolarHBondContact OD1-NH1 3.16Å; D623-R659 IonicContact OD1-NH2 2.83Å; D623-R659 PolarHBondContact OD1-NH2 3.3Å; D623-R659 VanDerWaalsContact OD1-NH2 3.11Å; D623-R659 IonicContact OD2-CZ 2.67Å; D623-R659 IonicContact OD2-NH1 3.86Å; D623-R659 IonicContact OD2-NH2 3.8Å; D623-R659 PolarHBondContact OD2-NH2 2.68Å; Y638-R659 HydrophobicContact CE2-CG 3.75Å; Y638-R659 WeakPolarHBondContact OH-CG 3.28Å
660	G	93.8	Very high	90.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-76.1	173.4	176.3	0	0	0	0	0	113	V521 Q526 V658	V521-G660 VanDerWaalsContact O-CA 3.28Å; V521-G660 WeakPolarHBondContact O-CA 3.46Å; V521-G660 PolarHBondContact O-N 3.33Å; Q526-G660 PolarHBondContact NE2-O 2.86Å; V658-G660 PolarHBondContact O-N 3.23Å
661	P	91.5	Very high	90.3	Very high	70 Å²	70	45.5 Å²	45.5	46%	0.455	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-63	150.3	177	30.8	-35.1	0	0	0	110.4	G523	G523-P661 WeakPolarHBondContact CA-O 3.42Å
662	V	88	Confident	90.3	Very high	74 Å²	74	43.4 Å²	43.4	45%	0.448	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-54.6	129.6	178.6	179.5	0	0	0	0	110	V612	V612-V662 HydrophobicContact CB-CG1 3.85Å; V612-V662 HydrophobicContact CG1-CG1 4.2Å; V612-V662 HydrophobicContact CG2-CG1 4.12Å
663	P	86.9	Confident	90.4	Very high	29 Å²	29	48.1 Å²	48.1	19%	0.188	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-58.4	134.9	176.7	-25.8	36.9	0	0	0	111.5	I524 N665 I667	I524-P663 HydrophobicContact CG1-CG 4.31Å; P663-N665 PolarHBondContact O-N 2.72Å; P663-I667 HydrophobicContact CG-CD1 4.25Å
664	P	82.7	Confident	90.5	Very high	132 Å²	132	54.2 Å²	54.2	86%	0.857	29%	0.294	S	S	*	.	S	Bend	trans	-74.7	-14.6	-178.3	30.9	-36.6	0	0	0	113.3
665	N	85.1	Confident	90.7	Very high	130 Å²	130	56.7 Å²	56.7	70%	0.695	30%	0.302	S	S	*	.	S	Bend	trans	-99.3	149.6	175.4	-61.7	-4.1	0	0	0	109.3	P663	P663-N665 PolarHBondContact O-N 2.72Å
666	R	84.7	Confident	90.6	Very high	118 Å²	118	56 Å²	56	45%	0.445	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-59	143	165.3	-63.2	-179.3	-176.7	156.2	-8	109.7	E604 E609 T611	E604-R666 PolarHBondContact O-NH1 2.87Å; E604-R666 PolarHBondContact O-NH2 2.82Å; E609-R666 HydrophobicContact CB-CB 4.04Å; E609-R666 HydrophobicContact CG-CB 4.47Å; E609-R666 WeakPolarHBondContact OE2-CD 3.38Å; E609-R666 IonicContact OE2-CZ 3.55Å; E609-R666 IonicContact OE2-NH1 3.65Å; E609-R666 PolarHBondContact OE2-NH1 2.69Å; T611-R666 HydrophobicContact CG2-CG 4.14Å
667	I	85.9	Confident	90.6	Very high	10 Å²	10	62 Å²	62	5%	0.051	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	145.5	179.9	-54.9	160.3	0	0	0	108.1	I524 I610 V612 P663 E671 V672	I524-I667 HydrophobicContact CB-CD1 4.32Å; I524-I667 HydrophobicContact CD1-CG2 4.09Å; I524-I667 HydrophobicContact CG1-CD1 3.8Å; I524-I667 HydrophobicContact CG1-CG1 4.31Å; I524-I667 HydrophobicContact CG1-CG2 4.48Å; I524-I667 HydrophobicContact CG2-CD1 4.34Å; I610-I667 PolarHBondContact N-O 3.01Å; I610-I667 PolarHBondContact O-N 3.1Å; V612-I667 HydrophobicContact CG2-CD1 3.25Å; V612-I667 HydrophobicContact CG2-CG1 4.3Å; P663-I667 HydrophobicContact CG-CD1 4.25Å; I667-E671 HydrophobicContact CG2-CB 3.79Å; I667-V672 HydrophobicContact CG2-CG2 3.98Å
668	T	87.9	Confident	90.5	Very high	51 Å²	51	63.3 Å²	63.3	31%	0.313	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	149.7	173.2	64.7	0	0	0	0	113.1	A608 G670 E671 V672	A608-T668 WeakPolarHBondContact O-CA 3.49Å; T668-G670 PolarHBondContact O-N 3.34Å; T668-G670 VanDerWaalsContact O-N 3.14Å; T668-E671 WeakPolarHBondContact CB-OE2 3.38Å; T668-E671 PolarHBondContact N-OE2 2.94Å; T668-E671 PolarHBondContact O-N 3Å; T668-E671 VanDerWaalsContact OG1-CG 3.29Å; T668-E671 WeakPolarHBondContact OG1-CG 3.49Å; T668-E671 PolarHBondContact OG1-N 3.36Å; T668-E671 PolarHBondContact OG1-OE2 3.1Å; T668-V672 PolarHBondContact O-N 3.04Å
669	H	86.7	Confident	90.3	Very high	82 Å²	82	63.8 Å²	63.8	38%	0.38	34%	0.336	S	S	.	.	H	α-helix	trans	-55.1	-32.5	173.1	-165.8	-34.8	0	0	0	112.4	A608 I610 V672 Q673	A608-H669 PolarHBondContact O-N 3.26Å; A608-H669 VanDerWaalsContact O-N 3.15Å; I610-H669 HydrophobicContact CD1-CB 3.84Å; H669-V672 PolarHBondContact O-N 3.36Å; H669-Q673 PolarHBondContact CE1-NE2 2.62Å; H669-Q673 PolarHBondContact O-N 3.07Å; H669-Q673 VanDerWaalsContact O-N 3.15Å
670	G	89.6	Confident	90.2	Very high	41 Å²	41	67.3 Å²	67.3	42%	0.423	35%	0.353	S	S	.	.	H	α-helix	trans	-66.5	-39.6	175.1	0	0	0	0	0	113.4	T668 V672 Q673 Q674	T668-G670 PolarHBondContact O-N 3.34Å; T668-G670 VanDerWaalsContact O-N 3.14Å; G670-V672 VanDerWaalsContact C-N 3.34Å; G670-Q673 PolarHBondContact O-N 2.95Å; G670-Q674 VanDerWaalsContact O-CB 3.26Å; G670-Q674 WeakPolarHBondContact O-CB 3.29Å; G670-Q674 PolarHBondContact O-N 2.95Å
671	E	90.3	Very high	90.2	Very high	89 Å²	89	72.6 Å²	72.6	42%	0.416	38%	0.377	S	S	.	.	H	α-helix	trans	-66.6	-34.4	175.1	-74.8	163.3	121.8	0	0	112.2	I667 T668 W675	I667-E671 HydrophobicContact CG2-CB 3.79Å; T668-E671 WeakPolarHBondContact CB-OE2 3.38Å; T668-E671 PolarHBondContact N-OE2 2.94Å; T668-E671 PolarHBondContact O-N 3Å; T668-E671 VanDerWaalsContact OG1-CG 3.29Å; T668-E671 WeakPolarHBondContact OG1-CG 3.49Å; T668-E671 PolarHBondContact OG1-N 3.36Å; T668-E671 PolarHBondContact OG1-OE2 3.1Å; E671-W675 VanDerWaalsContact O-CB 3.29Å; E671-W675 WeakPolarHBondContact O-CB 3.34Å; E671-W675 PolarHBondContact O-N 3.39Å
672	V	91	Very high	90.2	Very high	1 Å²	1	74.4 Å²	74.4	1%	0.006	38%	0.378	C	S	.	.	H	α-helix	trans	-63.7	-52.4	173.9	178.7	0	0	0	0	110.6	Q529 V530 I667 T668 H669 G670 Q674 W675 E676	Q529-V672 HydrophobicContact CB-CG1 4.4Å; Q529-V672 HydrophobicContact CG-CG1 4.46Å; V530-V672 HydrophobicContact CG2-CG1 3.78Å; I667-V672 HydrophobicContact CG2-CG2 3.98Å; T668-V672 PolarHBondContact O-N 3.04Å; H669-V672 PolarHBondContact O-N 3.36Å; G670-V672 VanDerWaalsContact C-N 3.34Å; V672-Q674 VanDerWaalsContact C-N 3.32Å; V672-Q674 PolarHBondContact O-N 2.58Å; V672-W675 WeakPolarHBondContact O-CB 3.27Å; V672-W675 PolarHBondContact O-N 3.4Å; V672-W675 VanDerWaalsContact O-N 3.14Å; V672-E676 WeakPolarHBondContact O-CG 3.48Å; V672-E676 PolarHBondContact O-N 3.49Å
673	Q	92	Very high	90.4	Very high	111 Å²	111	70.9 Å²	70.9	52%	0.519	36%	0.357	S	S	.	.	H	α-helix	trans	-62.5	-37.7	177.6	-73	178.5	-23.5	0	0	112.6	H669 G670 K677	H669-Q673 PolarHBondContact CE1-NE2 2.62Å; H669-Q673 PolarHBondContact O-N 3.07Å; H669-Q673 VanDerWaalsContact O-N 3.15Å; G670-Q673 PolarHBondContact O-N 2.95Å; Q673-K677 WeakPolarHBondContact O-CB 3.36Å; Q673-K677 PolarHBondContact O-N 2.95Å
674	Q	94	Very high	90.6	Very high	129 Å²	129	74.5 Å²	74.5	60%	0.603	37%	0.373	S	S	*	.	H	α-helix	trans	-66.2	-38.8	174.9	-173.6	175.8	4.5	0	0	111.5	G670 V672 V678	G670-Q674 VanDerWaalsContact O-CB 3.26Å; G670-Q674 WeakPolarHBondContact O-CB 3.29Å; G670-Q674 PolarHBondContact O-N 2.95Å; V672-Q674 VanDerWaalsContact C-N 3.32Å; V672-Q674 PolarHBondContact O-N 2.58Å; Q674-V678 HydrophobicContact CG-CG2 4.32Å; Q674-V678 VanDerWaalsContact O-CB 3.3Å; Q674-V678 WeakPolarHBondContact O-CB 3.45Å; Q674-V678 VanDerWaalsContact O-CG2 3.24Å; Q674-V678 WeakPolarHBondContact O-CG2 3.4Å; Q674-V678 PolarHBondContact O-N 3.04Å
675	W	93.8	Very high	90.8	Very high	56 Å²	56	72.5 Å²	72.5	21%	0.212	36%	0.36	C	S	.	.	H	α-helix	trans	-63.6	-47.2	175.3	179.9	-88.6	0	0	0	111.9	N522 I524 T525 E671 V672 V678 T679	N522-W675 HydrophobicContact CB-CE3 4.41Å; N522-W675 HydrophobicContact CB-CH2 3.76Å; N522-W675 HydrophobicContact CB-CZ3 3.64Å; I524-W675 HydrophobicContact CG2-CB 4.33Å; I524-W675 HydrophobicContact CG2-CG 4.2Å; T525-W675 HydrophobicContact CG2-CH2 4.48Å; T525-W675 HydrophobicContact CG2-CZ2 3.46Å; T525-W675 VanDerWaalsContact CG2-CZ2 3.46Å; E671-W675 VanDerWaalsContact O-CB 3.29Å; E671-W675 WeakPolarHBondContact O-CB 3.34Å; E671-W675 PolarHBondContact O-N 3.39Å; V672-W675 WeakPolarHBondContact O-CB 3.27Å; V672-W675 PolarHBondContact O-N 3.4Å; V672-W675 VanDerWaalsContact O-N 3.14Å; W675-V678 PolarHBondContact O-N 2.83Å; W675-T679 PolarHBondContact NE1-OG1 3.21Å; W675-T679 VanDerWaalsContact O-CB 3.28Å; W675-T679 WeakPolarHBondContact O-CB 3.24Å; W675-T679 PolarHBondContact O-N 2.95Å; W675-T679 PolarHBondContact O-OG1 3.3Å
676	E	93.4	Very high	90.9	Very high	31 Å²	31	67.8 Å²	67.8	15%	0.145	33%	0.334	C	S	.	.	H	α-helix	trans	-57.1	-51.9	177	-70.1	169.9	155.4	0	0	111.2	Q529 V530 N533 V672 T679 E680	Q529-E676 WeakPolarHBondContact CG-OE1 3.3Å; Q529-E676 PolarHBondContact NE2-OE1 2.87Å; Q529-E676 PolarHBondContact NE2-OE2 3.48Å; V530-E676 HydrophobicContact CG2-CG 4.49Å; N533-E676 HydrophobicContact CB-CG 4.31Å; V672-E676 WeakPolarHBondContact O-CG 3.48Å; V672-E676 PolarHBondContact O-N 3.49Å; E676-T679 PolarHBondContact O-N 2.77Å; E676-E680 PolarHBondContact O-N 3Å
677	K	95.1	Very high	90.8	Very high	129 Å²	129	64 Å²	64	56%	0.561	32%	0.321	S	S	*	.	H	α-helix	trans	-59.8	-49.4	178.8	177.1	173.2	172.2	175.3	0	112.5	Q673 T679 E680 E681	Q673-K677 WeakPolarHBondContact O-CB 3.36Å; Q673-K677 PolarHBondContact O-N 2.95Å; K677-T679 PolarHBondContact O-N 2.69Å; K677-E680 PolarHBondContact O-N 3.25Å; K677-E681 WeakPolarHBondContact CE-OE1 3.4Å; K677-E681 HydrophobicContact CG-CG 4.42Å; K677-E681 IonicContact NZ-OE1 3.75Å; K677-E681 WeakPolarHBondContact O-CB 2.79Å; K677-E681 WeakPolarHBondContact O-CG 3.21Å; K677-E681 PolarHBondContact O-N 3.32Å
678	V	94.9	Very high	90.2	Very high	46 Å²	46	66 Å²	66	28%	0.279	34%	0.336	S	S	.	.	H	α-helix	trans	-66.4	-25.3	-179.8	169.4	0	0	0	0	111.7	Q674 W675 K682	Q674-V678 HydrophobicContact CG-CG2 4.32Å; Q674-V678 VanDerWaalsContact O-CB 3.3Å; Q674-V678 WeakPolarHBondContact O-CB 3.45Å; Q674-V678 VanDerWaalsContact O-CG2 3.24Å; Q674-V678 WeakPolarHBondContact O-CG2 3.4Å; Q674-V678 PolarHBondContact O-N 3.04Å; W675-V678 PolarHBondContact O-N 2.83Å; V678-K682 HydrophobicContact CG1-CD 4.28Å; V678-K682 WeakPolarHBondContact O-CB 3.42Å; V678-K682 WeakPolarHBondContact O-CD 3.5Å; V678-K682 WeakPolarHBondContact O-CG 3.41Å; V678-K682 PolarHBondContact O-N 3.02Å
679	T	93	Very high	89	Confident	11 Å²	11	69.5 Å²	69.5	7%	0.067	35%	0.352	C	S	.	.	H	α-helix	trans	-76.6	-45.1	174.6	-57.2	0	0	0	0	111	W675 E676 K677 K682 L683	W675-T679 PolarHBondContact NE1-OG1 3.21Å; W675-T679 VanDerWaalsContact O-CB 3.28Å; W675-T679 WeakPolarHBondContact O-CB 3.24Å; W675-T679 PolarHBondContact O-N 2.95Å; W675-T679 PolarHBondContact O-OG1 3.3Å; E676-T679 PolarHBondContact O-N 2.77Å; K677-T679 PolarHBondContact O-N 2.69Å; T679-K682 PolarHBondContact O-N 3.17Å; T679-L683 HydrophobicContact CG2-CD1 3.96Å; T679-L683 WeakPolarHBondContact O-CG 3.42Å; T679-L683 PolarHBondContact O-N 3.33Å
680	E	93.1	Very high	88.1	Confident	73 Å²	73	74.4 Å²	74.4	34%	0.341	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-45.4	174.4	-173	165.8	-147.6	0	0	111.7	L537 K540 E676 K677 K682 L683 M684	L537-E680 HydrophobicContact CD1-CB 4.28Å; L537-E680 HydrophobicContact CD2-CB 4.47Å; L537-E680 HydrophobicContact CD2-CG 4.06Å; K540-E680 IonicContact NZ-OE1 2.79Å; E676-E680 PolarHBondContact O-N 3Å; K677-E680 PolarHBondContact O-N 3.25Å; E680-K682 PolarHBondContact O-N 2.77Å; E680-L683 PolarHBondContact O-N 2.87Å; E680-M684 WeakPolarHBondContact O-CG 3.33Å; E680-M684 PolarHBondContact O-N 2.84Å
681	E	93.8	Very high	87.3	Confident	111 Å²	111	76.7 Å²	76.7	52%	0.519	37%	0.372	S	S	.	.	H	α-helix	trans	-56.5	-35.7	176	-75.9	176.6	168.9	0	0	113.1	K677	K677-E681 WeakPolarHBondContact CE-OE1 3.4Å; K677-E681 HydrophobicContact CG-CG 4.42Å; K677-E681 IonicContact NZ-OE1 3.75Å; K677-E681 WeakPolarHBondContact O-CB 2.79Å; K677-E681 WeakPolarHBondContact O-CG 3.21Å; K677-E681 PolarHBondContact O-N 3.32Å
682	K	92.9	Very high	86.8	Confident	109 Å²	109	78.1 Å²	78.1	47%	0.474	38%	0.381	S	S	.	.	H	α-helix	trans	-80.5	-25.5	176.1	-73.9	171.6	-174.5	169.3	0	114.2	T640 V678 T679 E680 P685	T640-K682 HydrophobicContact CG2-CB 3.77Å; T640-K682 HydrophobicContact CG2-CD 4.48Å; V678-K682 HydrophobicContact CG1-CD 4.28Å; V678-K682 WeakPolarHBondContact O-CB 3.42Å; V678-K682 WeakPolarHBondContact O-CD 3.5Å; V678-K682 WeakPolarHBondContact O-CG 3.41Å; V678-K682 PolarHBondContact O-N 3.02Å; T679-K682 PolarHBondContact O-N 3.17Å; E680-K682 PolarHBondContact O-N 2.77Å; K682-P685 WeakPolarHBondContact O-CD 3.46Å
683	L	91.7	Very high	86.5	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-81.8	-24.4	175.8	-71.5	168.9	0	0	0	112.3	L537 Y637 T640 T679 E680 P685 L686 F687	L537-L683 HydrophobicContact CB-CD1 4.29Å; L537-L683 HydrophobicContact CD1-CD1 4.11Å; Y637-L683 HydrophobicContact CD2-CD1 4.36Å; Y637-L683 HydrophobicContact CD2-CD2 4.16Å; Y637-L683 HydrophobicContact CE2-CD1 3.54Å; Y637-L683 HydrophobicContact CE2-CD2 4.16Å; T640-L683 HydrophobicContact CG2-CD2 3.77Å; T640-L683 HydrophobicContact CG2-CG 3.94Å; T679-L683 HydrophobicContact CG2-CD1 3.96Å; T679-L683 WeakPolarHBondContact O-CG 3.42Å; T679-L683 PolarHBondContact O-N 3.33Å; E680-L683 PolarHBondContact O-N 2.87Å; L683-P685 VanDerWaalsContact C-CD 3.47Å; L683-P685 VanDerWaalsContact C-N 3.33Å; L683-L686 HydrophobicContact CD2-CD1 3.9Å; L683-L686 WeakPolarHBondContact O-CA 3.4Å; L683-L686 WeakPolarHBondContact O-CB 3.47Å; L683-L686 PolarHBondContact O-N 2.87Å; L683-F687 HydrophobicContact CB-CE2 3.99Å; L683-F687 VanDerWaalsContact O-CD2 3.29Å; L683-F687 WeakPolarHBondContact O-CD2 3.47Å; L683-F687 PolarHBondContact O-N 3.36Å
684	M	90.1	Very high	86.3	Confident	105 Å²	105	76.9 Å²	76.9	52%	0.517	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-46.5	-42.8	178.3	-81.7	-65.3	-69.6	0	0	115	E680 L686 F687 S688	E680-M684 WeakPolarHBondContact O-CG 3.33Å; E680-M684 PolarHBondContact O-N 2.84Å; M684-L686 VanDerWaalsContact C-N 3.27Å; M684-L686 PolarHBondContact O-N 3.23Å; M684-F687 PolarHBondContact O-N 2.95Å; M684-F687 VanDerWaalsContact O-N 3.16Å; M684-S688 PolarHBondContact O-N 3.36Å
685	P	88.4	Confident	86	Confident	90 Å²	90	77 Å²	77	58%	0.584	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-61.6	-26.5	173.9	-25.4	36.1	0	0	0	115.2	K682 L683 S688	K682-P685 WeakPolarHBondContact O-CD 3.46Å; L683-P685 VanDerWaalsContact C-CD 3.47Å; L683-P685 VanDerWaalsContact C-N 3.33Å; P685-S688 WeakPolarHBondContact O-CB 3.43Å; P685-S688 PolarHBondContact O-N 2.79Å
686	L	86.9	Confident	85.7	Confident	31 Å²	31	80.9 Å²	80.9	16%	0.162	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-77.7	-23.3	176.3	-54.6	-176.6	0	0	0	112.4	L541 V635 E642 L683 M684 S688	L541-L686 HydrophobicContact CD1-CB 4.07Å; L541-L686 HydrophobicContact CD2-CD1 4.42Å; V635-L686 HydrophobicContact CG1-CD1 3.98Å; E642-L686 HydrophobicContact CB-CD2 4.3Å; L683-L686 HydrophobicContact CD2-CD1 3.9Å; L683-L686 WeakPolarHBondContact O-CA 3.4Å; L683-L686 WeakPolarHBondContact O-CB 3.47Å; L683-L686 PolarHBondContact O-N 2.87Å; M684-L686 VanDerWaalsContact C-N 3.27Å; M684-L686 PolarHBondContact O-N 3.23Å; L686-S688 VanDerWaalsContact C-N 3.27Å
687	F	83.4	Confident	85.4	Confident	38 Å²	38	84.1 Å²	84.1	17%	0.167	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-79.7	-6.6	168.6	-63.8	-79.7	0	0	0	112.9	K540 L541 A544 L683 M684 L689	K540-F687 HydrophobicContact CB-CE1 4.15Å; K540-F687 HydrophobicContact CB-CZ 4.36Å; K540-F687 HydrophobicContact CD-CE1 3.78Å; K540-F687 HydrophobicContact CD-CZ 3.83Å; K540-F687 HydrophobicContact CG-CE1 3.68Å; K540-F687 HydrophobicContact CG-CZ 4.14Å; L541-F687 HydrophobicContact CB-CE1 3.83Å; L541-F687 HydrophobicContact CB-CZ 3.85Å; L541-F687 HydrophobicContact CD1-CD1 4.01Å; L541-F687 HydrophobicContact CD1-CE1 3.88Å; L541-F687 HydrophobicContact CD1-CE2 4.5Å; L541-F687 HydrophobicContact CD1-CG 4.39Å; L541-F687 HydrophobicContact CD1-CZ 4.13Å; L541-F687 HydrophobicContact CG-CE1 4.47Å; A544-F687 HydrophobicContact CB-CD1 4.35Å; L683-F687 HydrophobicContact CB-CE2 3.99Å; L683-F687 VanDerWaalsContact O-CD2 3.29Å; L683-F687 WeakPolarHBondContact O-CD2 3.47Å; L683-F687 PolarHBondContact O-N 3.36Å; M684-F687 PolarHBondContact O-N 2.95Å; M684-F687 VanDerWaalsContact O-N 3.16Å; F687-L689 PolarHBondContact O-N 3.21Å
688	S	72.9	Confident	85	Confident	52 Å²	52	78 Å²	78	36%	0.364	39%	0.391	S	S	.	.			trans	-72	96.2	179.9	-173.5	0	0	0	0	110.7	M684 P685 L686 E691	M684-S688 PolarHBondContact O-N 3.36Å; P685-S688 WeakPolarHBondContact O-CB 3.43Å; P685-S688 PolarHBondContact O-N 2.79Å; L686-S688 VanDerWaalsContact C-N 3.27Å; S688-E691 PolarHBondContact OG-OE1 3.33Å
689	L	62.9	Low	84.7	Confident	125 Å²	125	78.6 Å²	78.6	65%	0.654	40%	0.402	S	S	*	.			trans	-57.2	144.4	159.1	-60.7	177.1	0	0	0	108.8	F687 E691	F687-L689 PolarHBondContact O-N 3.21Å; L689-E691 PolarHBondContact O-N 3.02Å; L689-E691 VanDerWaalsContact O-N 3.11Å
690	K	66.1	Low	84.4	Confident	184 Å²	184	82.9 Å²	82.9	80%	0.8	42%	0.419	S	S	*	.			trans	-46.7	119.8	-173.5	-72.2	-173.6	177.2	-176.5	0	111.2	I692	K690-I692 PolarHBondContact O-N 3.08Å; K690-I692 VanDerWaalsContact O-N 3.11Å
691	E	72.7	Confident	84	Confident	89 Å²	89	80.1 Å²	80.1	42%	0.416	41%	0.407	S	S	.	.			trans	-67.4	109.6	176	-77.7	160.8	-144.6	0	0	110.1	S688 L689 A770 K771	S688-E691 PolarHBondContact OG-OE1 3.33Å; L689-E691 PolarHBondContact O-N 3.02Å; L689-E691 VanDerWaalsContact O-N 3.11Å; E691-A770 HydrophobicContact CB-CB 3.76Å; E691-A770 VanDerWaalsContact O-CB 3.27Å; E691-A770 WeakPolarHBondContact O-CB 3.46Å; E691-A770 PolarHBondContact O-N 3.49Å; E691-A770 VanDerWaalsContact O-N 3.1Å; E691-K771 IonicContact OE1-NZ 3.88Å; E691-K771 PolarHBondContact OE1-NZ 3.1Å; E691-K771 WeakPolarHBondContact OE2-CE 3.47Å; E691-K771 IonicContact OE2-NZ 3.62Å; E691-K771 PolarHBondContact OE2-NZ 3.27Å; E691-K771 VanDerWaalsContact OE2-NZ 3.11Å
692	I	81.6	Confident	83.6	Confident	120 Å²	120	75.9 Å²	75.9	62%	0.615	39%	0.393	S	S	*	.	B	Isolated β-bridge	trans	-104.4	134.8	178.6	-68.8	163.2	0	0	0	107.5	K690 M768	K690-I692 PolarHBondContact O-N 3.08Å; K690-I692 VanDerWaalsContact O-N 3.11Å; I692-M768 CarbonylContact C-O 3.56Å; I692-M768 WeakPolarHBondContact CA-O 3.4Å; I692-M768 HydrophobicContact CG2-CB 4.38Å; I692-M768 HydrophobicContact CG2-CE 3.47Å; I692-M768 VanDerWaalsContact CG2-CE 3.47Å
693	L	84.3	Confident	83.5	Confident	30 Å²	30	76 Å²	76	16%	0.157	39%	0.391	C	S	.	.			trans	-60.3	149.5	176.8	-64.7	-174	0	0	0	111.7	L767 M768 A770	L693-L767 WeakPolarHBondContact CD1-O 3.41Å; L693-M768 PolarHBondContact N-O 3.3Å; L693-M768 WeakPolarHBondContact O-CE 3.28Å; L693-A770 HydrophobicContact CD2-CB 3.99Å
694	S	87.6	Confident	83.5	Confident	55 Å²	55	78.7 Å²	78.7	39%	0.385	40%	0.402	S	S	.	.			trans	-64.5	151.8	170.7	69.5	0	0	0	0	111	E696 E697 A698	S694-E696 VanDerWaalsContact C-N 3.25Å; S694-E696 PolarHBondContact O-N 2.64Å; S694-E697 WeakPolarHBondContact CB-OE2 3.45Å; S694-E697 PolarHBondContact N-OE2 2.8Å; S694-E697 PolarHBondContact O-N 2.94Å; S694-E697 WeakPolarHBondContact OG-CB 3.23Å; S694-E697 VanDerWaalsContact OG-CD 3.24Å; S694-E697 VanDerWaalsContact OG-CG 3.22Å; S694-E697 WeakPolarHBondContact OG-CG 3.22Å; S694-E697 PolarHBondContact OG-N 3.49Å; S694-E697 PolarHBondContact OG-OE2 2.71Å; S694-A698 WeakPolarHBondContact O-CB 3.46Å; S694-A698 PolarHBondContact O-N 3.35Å
695	E	86.6	Confident	83.6	Confident	132 Å²	132	77.2 Å²	77.2	62%	0.617	40%	0.396	S	S	*	.	H	α-helix	trans	-63.4	-33	-177.2	-59.4	-156.6	109.1	0	0	112.6	A698 A699 R703	E695-A698 PolarHBondContact O-N 3.12Å; E695-A699 WeakPolarHBondContact O-CB 3.47Å; E695-A699 PolarHBondContact O-N 3.13Å; E695-R703 IonicContact OE1-CZ 2.78Å; E695-R703 IonicContact OE1-NH1 2.72Å; E695-R703 PolarHBondContact OE1-NH1 2.92Å; E695-R703 IonicContact OE1-NH2 3.32Å
696	E	87.8	Confident	83.8	Confident	137 Å²	137	74.7 Å²	74.7	64%	0.64	38%	0.38	S	S	*	.	H	α-helix	trans	-60.6	-45.6	171	-79.6	-165.5	-138.5	0	0	112.7	S694 K700	S694-E696 VanDerWaalsContact C-N 3.25Å; S694-E696 PolarHBondContact O-N 2.64Å; E696-K700 WeakPolarHBondContact O-CB 3.38Å; E696-K700 VanDerWaalsContact O-CD 3.24Å; E696-K700 WeakPolarHBondContact O-CD 3.47Å; E696-K700 WeakPolarHBondContact O-CE 3.35Å; E696-K700 WeakPolarHBondContact O-CG 3.22Å; E696-K700 PolarHBondContact O-N 3.46Å; E696-K700 IonicContact OE2-NZ 3.2Å; E696-K700 PolarHBondContact OE2-NZ 2.93Å
697	E	86.6	Confident	84.1	Confident	99 Å²	99	78 Å²	78	46%	0.463	40%	0.398	S	S	.	.	H	α-helix	trans	-69.1	-39.8	178.2	-71.7	167.9	130	0	0	110.6	S694 A699 K700 M701	S694-E697 WeakPolarHBondContact CB-OE2 3.45Å; S694-E697 PolarHBondContact N-OE2 2.8Å; S694-E697 PolarHBondContact O-N 2.94Å; S694-E697 WeakPolarHBondContact OG-CB 3.23Å; S694-E697 VanDerWaalsContact OG-CD 3.24Å; S694-E697 VanDerWaalsContact OG-CG 3.22Å; S694-E697 WeakPolarHBondContact OG-CG 3.22Å; S694-E697 PolarHBondContact OG-N 3.49Å; S694-E697 PolarHBondContact OG-OE2 2.71Å; E697-A699 PolarHBondContact O-N 3.21Å; E697-K700 CarbonylContact O-C 3.46Å; E697-K700 PolarHBondContact O-N 2.71Å; E697-M701 WeakPolarHBondContact O-CB 3.4Å; E697-M701 WeakPolarHBondContact O-CG 3.26Å; E697-M701 PolarHBondContact O-N 3.46Å
698	A	87.4	Confident	84.6	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-59.6	-45.2	174.9	0	0	0	0	0	111.8	S694 E695 M701 G702 R703 L767 M768	S694-A698 WeakPolarHBondContact O-CB 3.46Å; S694-A698 PolarHBondContact O-N 3.35Å; E695-A698 PolarHBondContact O-N 3.12Å; A698-M701 CarbonylContact O-C 3.51Å; A698-M701 PolarHBondContact O-N 3.14Å; A698-G702 PolarHBondContact O-N 2.95Å; A698-R703 HydrophobicContact CB-CB 4.04Å; A698-R703 WeakPolarHBondContact O-CB 3.4Å; A698-R703 PolarHBondContact O-N 2.98Å; A698-L767 HydrophobicContact CB-CD2 3.85Å; A698-M768 HydrophobicContact CB-CE 4.17Å; A698-M768 HydrophobicContact CB-SD 3.32Å; A698-M768 WeakPolarHBondContact CB-SD 3.5Å
699	A	87.9	Confident	85.6	Confident	60 Å²	60	81.2 Å²	81.2	50%	0.496	41%	0.408	S	S	.	.	H	α-helix	trans	-62.5	-44.4	173.8	0	0	0	0	0	111.9	E695 E697 M701 G702	E695-A699 WeakPolarHBondContact O-CB 3.47Å; E695-A699 PolarHBondContact O-N 3.13Å; E697-A699 PolarHBondContact O-N 3.21Å; A699-M701 VanDerWaalsContact C-N 3.27Å; A699-M701 PolarHBondContact O-N 3.3Å; A699-G702 PolarHBondContact O-N 3.3Å; A699-G702 VanDerWaalsContact O-N 3.12Å
700	K	87.5	Confident	87.1	Confident	100 Å²	100	75.7 Å²	75.7	44%	0.435	38%	0.379	S	S	.	.	H	α-helix	trans	-59.1	-39.3	174.1	-69.4	158.2	-160.8	166.5	0	111.2	I176 R180 E696 E697 G702	I176-K700 WeakPolarHBondContact CG2-O 3.45Å; R180-K700 VanDerWaalsContact CZ-O 3.3Å; R180-K700 PolarHBondContact NE-O 2.88Å; R180-K700 PolarHBondContact NH2-O 2.98Å; E696-K700 WeakPolarHBondContact O-CB 3.38Å; E696-K700 VanDerWaalsContact O-CD 3.24Å; E696-K700 WeakPolarHBondContact O-CD 3.47Å; E696-K700 WeakPolarHBondContact O-CE 3.35Å; E696-K700 WeakPolarHBondContact O-CG 3.22Å; E696-K700 PolarHBondContact O-N 3.46Å; E696-K700 IonicContact OE2-NZ 3.2Å; E696-K700 PolarHBondContact OE2-NZ 2.93Å; E697-K700 CarbonylContact O-C 3.46Å; E697-K700 PolarHBondContact O-N 2.71Å; K700-G702 VanDerWaalsContact C-N 3.33Å; K700-G702 PolarHBondContact O-N 3.21Å
701	M	83.8	Confident	88.4	Confident	15 Å²	15	70.4 Å²	70.4	7%	0.074	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-0.5	178.3	-62.9	-62	-63.1	0	0	114.6	R179 M183 E697 A698 A699 L767	R179-M701 HydrophobicContact CB-CE 3.89Å; M183-M701 HydrophobicContact SD-CE 3.33Å; M183-M701 WeakPolarHBondContact SD-CE 3.36Å; E697-M701 WeakPolarHBondContact O-CB 3.4Å; E697-M701 WeakPolarHBondContact O-CG 3.26Å; E697-M701 PolarHBondContact O-N 3.46Å; A698-M701 CarbonylContact O-C 3.51Å; A698-M701 PolarHBondContact O-N 3.14Å; A699-M701 VanDerWaalsContact C-N 3.27Å; A699-M701 PolarHBondContact O-N 3.3Å; M701-L767 HydrophobicContact CB-CD1 4.47Å; M701-L767 HydrophobicContact CB-CD2 4.48Å; M701-L767 HydrophobicContact CB-CG 4.47Å; M701-L767 WeakPolarHBondContact O-CD1 3.47Å
702	G	86.3	Confident	89.4	Confident	23 Å²	23	70.6 Å²	70.6	24%	0.237	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	30.6	172.3	0	0	0	0	0	116.3	A698 A699 K700 K704	A698-G702 PolarHBondContact O-N 2.95Å; A699-G702 PolarHBondContact O-N 3.3Å; A699-G702 VanDerWaalsContact O-N 3.12Å; K700-G702 VanDerWaalsContact C-N 3.33Å; K700-G702 PolarHBondContact O-N 3.21Å; G702-K704 PolarHBondContact O-N 3.05Å
703	R	90.4	Very high	90.1	Very high	111 Å²	111	67 Å²	67	42%	0.419	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-49.5	129.3	166.7	177.9	178.6	172.2	-175.6	-5	109.7	E695 A698 L767	E695-R703 IonicContact OE1-CZ 2.78Å; E695-R703 IonicContact OE1-NH1 2.72Å; E695-R703 PolarHBondContact OE1-NH1 2.92Å; E695-R703 IonicContact OE1-NH2 3.32Å; A698-R703 HydrophobicContact CB-CB 4.04Å; A698-R703 WeakPolarHBondContact O-CB 3.4Å; A698-R703 PolarHBondContact O-N 2.98Å; R703-L767 HydrophobicContact CB-CD2 4.08Å
704	K	92.1	Very high	90.5	Very high	56 Å²	56	65.9 Å²	65.9	24%	0.243	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-99.1	145.9	-177.3	-58.8	-178.5	-172.4	-177.8	0	110.6	G702 E709 V760 F763 N764	G702-K704 PolarHBondContact O-N 3.05Å; K704-E709 HydrophobicContact CB-CG 3.95Å; K704-E709 HydrophobicContact CD-CG 4.18Å; K704-V760 HydrophobicContact CB-CG1 3.97Å; K704-F763 HydrophobicContact CD-CD1 4.04Å; K704-F763 HydrophobicContact CD-CE1 4.28Å; K704-F763 HydrophobicContact CG-CD1 4.13Å; K704-F763 HydrophobicContact CG-CE1 4.16Å; K704-N764 PolarHBondContact N-OD1 3.39Å; K704-N764 PolarHBondContact O-ND2 2.95Å
705	D	93.3	Very high	90.8	Very high	74 Å²	74	66.8 Å²	66.8	40%	0.396	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-86.4	133.5	171.2	-177.8	-92.1	0	0	0	111	D707 E708 E709	D705-D707 PolarHBondContact O-N 2.68Å; D705-D707 PolarHBondContact OD1-N 2.79Å; D705-E708 HydrophobicContact CB-CB 4.03Å; D705-E708 HydrophobicContact CB-CG 3.97Å; D705-E708 PolarHBondContact OD1-N 2.89Å; D705-E709 VanDerWaalsContact O-CG 3.3Å; D705-E709 WeakPolarHBondContact O-CG 3.33Å; D705-E709 PolarHBondContact O-N 3.19Å
706	P	92.6	Very high	91.1	Very high	38 Å²	38	63.5 Å²	63.5	25%	0.247	33%	0.333	C	S	.	.	H	α-helix	trans	-61.1	-38.7	-178.6	-23.6	34.4	0	0	0	114.4	V710 K757 V760	P706-V710 VanDerWaalsContact O-CG2 3.3Å; P706-V710 WeakPolarHBondContact O-CG2 3.49Å; P706-V710 PolarHBondContact O-N 3.2Å; P706-V710 VanDerWaalsContact O-N 3.13Å; P706-K757 HydrophobicContact CB-CG 4.33Å; P706-V760 HydrophobicContact CB-CG1 4.35Å; P706-V760 HydrophobicContact CG-CG1 4.12Å
707	D	92.5	Very high	91.4	Very high	100 Å²	100	58 Å²	58	54%	0.535	31%	0.308	S	S	.	.	H	α-helix	trans	-83.5	-34.5	-174.2	-68.7	-32.2	0	0	0	111	D705 E709 V710 E711	D705-D707 PolarHBondContact O-N 2.68Å; D705-D707 PolarHBondContact OD1-N 2.79Å; D707-E709 VanDerWaalsContact C-N 3.34Å; D707-E709 PolarHBondContact O-N 3.18Å; D707-V710 PolarHBondContact O-N 3.42Å; D707-E711 WeakPolarHBondContact O-CG 3.45Å; D707-E711 PolarHBondContact O-N 3.01Å
708	E	93.9	Very high	91.8	Very high	111 Å²	111	54.1 Å²	54.1	52%	0.519	29%	0.291	S	S	.	.	H	α-helix	trans	-58.2	-44.1	168.1	-76.4	-163.7	-174.4	0	0	112.7	D705 V710 E711 K712	D705-E708 HydrophobicContact CB-CB 4.03Å; D705-E708 HydrophobicContact CB-CG 3.97Å; D705-E708 PolarHBondContact OD1-N 2.89Å; E708-V710 VanDerWaalsContact C-N 3.35Å; E708-E711 PolarHBondContact O-N 3.1Å; E708-K712 WeakPolarHBondContact O-CE 3.41Å; E708-K712 VanDerWaalsContact O-CG 3.26Å; E708-K712 WeakPolarHBondContact O-CG 3.4Å; E708-K712 PolarHBondContact O-N 3.12Å; E708-K712 IonicContact OE2-NZ 2.67Å; E708-K712 PolarHBondContact OE2-NZ 3.14Å
709	E	93.4	Very high	92.1	Very high	46 Å²	46	58.4 Å²	58.4	22%	0.215	31%	0.311	C	S	.	.	H	α-helix	trans	-71.7	-30.3	-179.6	-65	-66.9	124.3	0	0	111.9	K704 D705 D707 K712 F713 V760	K704-E709 HydrophobicContact CB-CG 3.95Å; K704-E709 HydrophobicContact CD-CG 4.18Å; D705-E709 VanDerWaalsContact O-CG 3.3Å; D705-E709 WeakPolarHBondContact O-CG 3.33Å; D705-E709 PolarHBondContact O-N 3.19Å; D707-E709 VanDerWaalsContact C-N 3.34Å; D707-E709 PolarHBondContact O-N 3.18Å; E709-K712 PolarHBondContact O-N 2.9Å; E709-K712 VanDerWaalsContact OE1-CD 3.26Å; E709-K712 WeakPolarHBondContact OE1-CD 3.41Å; E709-K712 WeakPolarHBondContact OE1-CE 3.46Å; E709-K712 IonicContact OE1-NZ 3.55Å; E709-K712 PolarHBondContact OE1-NZ 2.71Å; E709-F713 WeakPolarHBondContact O-CB 3.33Å; E709-F713 PolarHBondContact O-N 2.69Å; E709-V760 HydrophobicContact CB-CG2 3.62Å; E709-V760 HydrophobicContact CG-CG2 3.76Å
710	V	93.9	Very high	92.4	Very high	10 Å²	10	61 Å²	61	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-64.6	-41.2	168.6	165.6	0	0	0	0	111.5	P706 D707 E708 F713 I714 I753 V756 K757	P706-V710 VanDerWaalsContact O-CG2 3.3Å; P706-V710 WeakPolarHBondContact O-CG2 3.49Å; P706-V710 PolarHBondContact O-N 3.2Å; P706-V710 VanDerWaalsContact O-N 3.13Å; D707-V710 PolarHBondContact O-N 3.42Å; E708-V710 VanDerWaalsContact C-N 3.35Å; V710-F713 WeakPolarHBondContact O-CB 3.28Å; V710-F713 PolarHBondContact O-N 3.49Å; V710-I714 HydrophobicContact CG1-CD1 3.81Å; V710-I714 HydrophobicContact CG1-CG1 4.45Å; V710-I714 WeakPolarHBondContact O-CB 3.29Å; V710-I714 WeakPolarHBondContact O-CG1 3.44Å; V710-I714 PolarHBondContact O-N 3.31Å; V710-I753 HydrophobicContact CG1-CG2 3.82Å; V710-I753 HydrophobicContact CG2-CG2 3.94Å; V710-V756 HydrophobicContact CG2-CG1 4.03Å; V710-K757 HydrophobicContact CG2-CD 4.49Å; V710-K757 HydrophobicContact CG2-CG 3.68Å
711	E	94.2	Very high	92.6	Very high	73 Å²	73	61 Å²	61	34%	0.341	32%	0.317	S	S	.	.	H	α-helix	trans	-67.3	-36.7	174.7	-70.6	-70.2	103.6	0	0	112.4	D707 E708 F713 I714 S715 R742	D707-E711 WeakPolarHBondContact O-CG 3.45Å; D707-E711 PolarHBondContact O-N 3.01Å; E708-E711 PolarHBondContact O-N 3.1Å; E711-F713 VanDerWaalsContact C-N 3.35Å; E711-I714 PolarHBondContact O-N 2.99Å; E711-S715 WeakPolarHBondContact O-CB 3.37Å; E711-S715 PolarHBondContact O-N 3.3Å; E711-S715 PolarHBondContact O-OG 2.81Å; E711-R742 IonicContact OE1-CZ 2.69Å; E711-R742 IonicContact OE1-NE 3.18Å; E711-R742 IonicContact OE1-NH1 2.64Å; E711-R742 IonicContact OE1-NH2 3.59Å; E711-R742 PolarHBondContact OE1-NH2 2.8Å; E711-R742 IonicContact OE2-CZ 2.7Å; E711-R742 IonicContact OE2-NH1 3.49Å; E711-R742 PolarHBondContact OE2-NH1 3.38Å; E711-R742 IonicContact OE2-NH2 3.79Å; E711-R742 PolarHBondContact OE2-NH2 3.37Å
712	K	94.6	Very high	92.9	Very high	93 Å²	93	61.5 Å²	61.5	40%	0.404	33%	0.326	S	S	.	.	H	α-helix	trans	-63.2	-39.9	170.9	-67.9	162.2	-151.3	168.1	0	111.1	E708 E709 S715 A716	E708-K712 WeakPolarHBondContact O-CE 3.41Å; E708-K712 VanDerWaalsContact O-CG 3.26Å; E708-K712 WeakPolarHBondContact O-CG 3.4Å; E708-K712 PolarHBondContact O-N 3.12Å; E708-K712 IonicContact OE2-NZ 2.67Å; E708-K712 PolarHBondContact OE2-NZ 3.14Å; E709-K712 PolarHBondContact O-N 2.9Å; E709-K712 VanDerWaalsContact OE1-CD 3.26Å; E709-K712 WeakPolarHBondContact OE1-CD 3.41Å; E709-K712 WeakPolarHBondContact OE1-CE 3.46Å; E709-K712 IonicContact OE1-NZ 3.55Å; E709-K712 PolarHBondContact OE1-NZ 2.71Å; K712-S715 WeakPolarHBondContact CA-OG 3.37Å; K712-S715 PolarHBondContact O-OG 2.89Å; K712-S715 VanDerWaalsContact O-OG 3.09Å; K712-A716 VanDerWaalsContact O-CB 3.26Å; K712-A716 WeakPolarHBondContact O-CB 3.29Å; K712-A716 PolarHBondContact O-N 3.09Å
713	F	94.4	Very high	93.1	Very high	44 Å²	44	69.2 Å²	69.2	19%	0.193	35%	0.353	C	S	.	.	H	α-helix	trans	-66.9	-44.5	174.6	177.3	-97.1	0	0	0	112.9	E709 V710 E711 N717 L730 I745 K752 V756	E709-F713 WeakPolarHBondContact O-CB 3.33Å; E709-F713 PolarHBondContact O-N 2.69Å; V710-F713 WeakPolarHBondContact O-CB 3.28Å; V710-F713 PolarHBondContact O-N 3.49Å; E711-F713 VanDerWaalsContact C-N 3.35Å; F713-N717 WeakPolarHBondContact CE2-ND2 3.41Å; F713-N717 WeakPolarHBondContact O-CB 3.26Å; F713-N717 PolarHBondContact O-N 2.6Å; F713-N717 PolarHBondContact O-ND2 3.4Å; F713-L730 HydrophobicContact CE1-CD1 3.97Å; F713-L730 HydrophobicContact CZ-CD1 3.86Å; F713-L730 HydrophobicContact CZ-CD2 4.24Å; F713-I745 HydrophobicContact CE1-CG2 4.39Å; F713-K752 HydrophobicContact CE1-CB 4.34Å; F713-K752 HydrophobicContact CZ-CB 4.12Å; F713-V756 HydrophobicContact CB-CG1 4.35Å; F713-V756 HydrophobicContact CB-CG2 4.24Å; F713-V756 HydrophobicContact CD1-CG2 4.26Å; F713-V756 HydrophobicContact CD2-CG2 3.64Å; F713-V756 HydrophobicContact CE2-CG2 3.97Å; F713-V756 HydrophobicContact CG-CG2 3.79Å; F713-V756 HydrophobicContact CZ-CG2 4.42Å
714	I	93.6	Very high	93.1	Very high	6 Å²	6	69.9 Å²	69.9	3%	0.031	37%	0.365	C	S	.	.	H	α-helix	trans	-62.1	-46	177.6	-73.5	167.2	0	0	0	110.5	V710 E711 N717 T718 R742 I745 L746	V710-I714 HydrophobicContact CG1-CD1 3.81Å; V710-I714 HydrophobicContact CG1-CG1 4.45Å; V710-I714 WeakPolarHBondContact O-CB 3.29Å; V710-I714 WeakPolarHBondContact O-CG1 3.44Å; V710-I714 PolarHBondContact O-N 3.31Å; E711-I714 PolarHBondContact O-N 2.99Å; I714-N717 CarbonylContact O-C 3.59Å; I714-N717 PolarHBondContact O-N 3.25Å; I714-T718 WeakPolarHBondContact O-CB 3.44Å; I714-T718 PolarHBondContact O-N 2.97Å; I714-T718 VanDerWaalsContact O-N 3.14Å; I714-T718 PolarHBondContact O-OG1 2.76Å; I714-R742 HydrophobicContact CG2-CB 4.05Å; I714-R742 HydrophobicContact CG2-CG 3.95Å; I714-I745 HydrophobicContact CG1-CG2 4.06Å; I714-L746 HydrophobicContact CD1-CD2 4.08Å; I714-L746 HydrophobicContact CD1-CG 4.44Å
715	S	93.4	Very high	93.1	Very high	74 Å²	74	73.9 Å²	73.9	52%	0.517	38%	0.383	S	S	.	.	H	α-helix	trans	-67.6	-42.5	179.2	52.4	0	0	0	0	112.7	E711 K712 N717 T718	E711-S715 WeakPolarHBondContact O-CB 3.37Å; E711-S715 PolarHBondContact O-N 3.3Å; E711-S715 PolarHBondContact O-OG 2.81Å; K712-S715 WeakPolarHBondContact CA-OG 3.37Å; K712-S715 PolarHBondContact O-OG 2.89Å; K712-S715 VanDerWaalsContact O-OG 3.09Å; S715-N717 PolarHBondContact O-N 3.32Å; S715-T718 PolarHBondContact O-N 3.39Å
716	A	94.3	Very high	93.3	Very high	64 Å²	64	72.8 Å²	72.8	53%	0.529	37%	0.373	S	S	.	.	H	α-helix	trans	-60.5	-31.1	173.2	0	0	0	0	0	113.3	K712 T718	K712-A716 VanDerWaalsContact O-CB 3.26Å; K712-A716 WeakPolarHBondContact O-CB 3.29Å; K712-A716 PolarHBondContact O-N 3.09Å; A716-T718 VanDerWaalsContact C-N 3.34Å
717	N	93.9	Very high	93.3	Very high	20 Å²	20	72.5 Å²	72.5	11%	0.107	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	9.5	174.3	-73.7	-77.9	0	0	0	114	F713 I714 S715 P729 L730 I745	F713-N717 WeakPolarHBondContact CE2-ND2 3.41Å; F713-N717 WeakPolarHBondContact O-CB 3.26Å; F713-N717 PolarHBondContact O-N 2.6Å; F713-N717 PolarHBondContact O-ND2 3.4Å; I714-N717 CarbonylContact O-C 3.59Å; I714-N717 PolarHBondContact O-N 3.25Å; S715-N717 PolarHBondContact O-N 3.32Å; N717-P729 WeakPolarHBondContact O-CD 3.24Å; N717-L730 HydrophobicContact CB-CD1 4.38Å; N717-L730 HydrophobicContact CB-CG 4.38Å; N717-L730 WeakPolarHBondContact OD1-CD2 3.42Å; N717-L730 WeakPolarHBondContact OD1-CG 3.48Å; N717-I745 HydrophobicContact CB-CD1 3.7Å
718	T	94.1	Very high	93.4	Very high	19 Å²	19	67.8 Å²	67.8	12%	0.117	34%	0.344	C	S	.	.			trans	-114.6	77.3	177.5	-61.1	0	0	0	0	109.7	I714 S715 A716 W726 P738 V741	I714-T718 WeakPolarHBondContact O-CB 3.44Å; I714-T718 PolarHBondContact O-N 2.97Å; I714-T718 VanDerWaalsContact O-N 3.14Å; I714-T718 PolarHBondContact O-OG1 2.76Å; S715-T718 PolarHBondContact O-N 3.39Å; A716-T718 VanDerWaalsContact C-N 3.34Å; T718-W726 HydrophobicContact CG2-CE3 3.61Å; T718-W726 HydrophobicContact CG2-CZ3 3.93Å; T718-W726 WeakPolarHBondContact O-CZ3 3.49Å; T718-P738 HydrophobicContact CG2-CB 3.62Å; T718-V741 HydrophobicContact CG2-CB 3.87Å; T718-V741 HydrophobicContact CG2-CG1 4.15Å; T718-V741 HydrophobicContact CG2-CG2 4.14Å; T718-V741 WeakPolarHBondContact OG1-CG1 3.26Å
719	Q	93.8	Very high	93.4	Very high	90 Å²	90	65.2 Å²	65.2	42%	0.421	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129.4	-170.9	-63.4	-177.1	-6.1	0	0	112.1	W726 L727 P729	Q719-W726 CarbonylContact O-C 3.5Å; Q719-W726 WeakPolarHBondContact O-CA 3.37Å; Q719-L727 PolarHBondContact N-O 2.85Å; Q719-L727 PolarHBondContact O-N 2.67Å; Q719-P729 HydrophobicContact CG-CG 4.06Å
720	E	94.9	Very high	93.3	Very high	114 Å²	114	65.9 Å²	65.9	53%	0.533	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	118.1	172.5	-160.6	-173	162	0	0	110.3	G722 W726	E720-G722 VanDerWaalsContact C-N 3.35Å; E720-W726 HydrophobicContact CB-CD2 4.32Å; E720-W726 HydrophobicContact CB-CE3 4.02Å; E720-W726 HydrophobicContact CB-CH2 3.82Å; E720-W726 HydrophobicContact CB-CZ2 4.12Å; E720-W726 HydrophobicContact CB-CZ3 3.77Å; E720-W726 HydrophobicContact CG-CD2 4.3Å; E720-W726 HydrophobicContact CG-CE3 4.49Å; E720-W726 HydrophobicContact CG-CH2 4.07Å; E720-W726 HydrophobicContact CG-CZ2 3.84Å; E720-W726 HydrophobicContact CG-CZ3 4.39Å
721	L	92.1	Very high	93.1	Very high	100 Å²	100	67.5 Å²	67.5	52%	0.524	35%	0.353	S	S	.	.			trans	-91.1	-4.2	168.2	-59.3	179.9	0	0	0	112.3	K725 L727	L721-K725 WeakPolarHBondContact CA-O 3.36Å; L721-K725 HydrophobicContact CB-CB 4.5Å; L721-K725 WeakPolarHBondContact CB-O 3.49Å; L721-K725 PolarHBondContact N-O 3.07Å; L721-L727 HydrophobicContact CD1-CB 3.85Å; L721-L727 HydrophobicContact CD1-CD2 4.21Å; L721-L727 HydrophobicContact CD1-CG 4.44Å; L721-L727 HydrophobicContact CD2-CB 4.48Å; L721-L727 HydrophobicContact CD2-CD2 4.35Å; L721-L727 HydrophobicContact CG-CB 3.96Å
722	G	90.2	Very high	93	Very high	26 Å²	26	66.2 Å²	66.2	27%	0.268	36%	0.36	S	S	.	.	S	Bend	trans	139.9	-179.8	180	0	0	0	0	0	111.5	E720 D724 K725	E720-G722 VanDerWaalsContact C-N 3.35Å; G722-D724 PolarHBondContact O-N 2.86Å; G722-K725 CarbonylContact O-C 3.51Å; G722-K725 WeakPolarHBondContact O-CA 3.45Å; G722-K725 PolarHBondContact O-N 2.76Å
723	K	89.7	Confident	93	Very high	184 Å²	184	67.1 Å²	67.1	80%	0.8	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	128.2	-177.8	-60.2	-174.5	179.1	-174.2	0	112.1	K725	K723-K725 PolarHBondContact O-N 3.11Å; K723-K725 VanDerWaalsContact O-N 3.16Å
724	D	90.1	Very high	93	Very high	125 Å²	125	72.5 Å²	72.5	67%	0.668	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	24	-177.3	-46.3	-36.7	0	0	0	114.9	G722 K736	G722-D724 PolarHBondContact O-N 2.86Å; D724-K736 WeakPolarHBondContact O-CA 3.37Å
725	K	93.2	Very high	93.1	Very high	141 Å²	141	74.2 Å²	74.2	61%	0.613	39%	0.394	S	S	*	.			trans	-138.1	86.1	-175.7	-68.9	174.1	-174.6	169.6	0	111.4	L721 G722 K723	L721-K725 WeakPolarHBondContact CA-O 3.36Å; L721-K725 HydrophobicContact CB-CB 4.5Å; L721-K725 WeakPolarHBondContact CB-O 3.49Å; L721-K725 PolarHBondContact N-O 3.07Å; G722-K725 CarbonylContact O-C 3.51Å; G722-K725 WeakPolarHBondContact O-CA 3.45Å; G722-K725 PolarHBondContact O-N 2.76Å; K723-K725 PolarHBondContact O-N 3.11Å; K723-K725 VanDerWaalsContact O-N 3.16Å
726	W	95.4	Very high	93.1	Very high	51 Å²	51	78.7 Å²	78.7	19%	0.193	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	149.5	175.6	-62.9	76.7	0	0	0	110.6	T718 Q719 E720 K734 F735 P738 V741	T718-W726 HydrophobicContact CG2-CE3 3.61Å; T718-W726 HydrophobicContact CG2-CZ3 3.93Å; T718-W726 WeakPolarHBondContact O-CZ3 3.49Å; Q719-W726 CarbonylContact O-C 3.5Å; Q719-W726 WeakPolarHBondContact O-CA 3.37Å; E720-W726 HydrophobicContact CB-CD2 4.32Å; E720-W726 HydrophobicContact CB-CE3 4.02Å; E720-W726 HydrophobicContact CB-CH2 3.82Å; E720-W726 HydrophobicContact CB-CZ2 4.12Å; E720-W726 HydrophobicContact CB-CZ3 3.77Å; E720-W726 HydrophobicContact CG-CD2 4.3Å; E720-W726 HydrophobicContact CG-CE3 4.49Å; E720-W726 HydrophobicContact CG-CH2 4.07Å; E720-W726 HydrophobicContact CG-CZ2 3.84Å; E720-W726 HydrophobicContact CG-CZ3 4.39Å; W726-K734 CarbonylContact O-C 3.59Å; W726-K734 VanDerWaalsContact O-CA 3.24Å; W726-K734 WeakPolarHBondContact O-CA 3.27Å; W726-F735 HydrophobicContact CB-CB 4.45Å; W726-F735 PolarHBondContact N-O 2.93Å; W726-F735 PolarHBondContact O-N 3.4Å; W726-P738 HydrophobicContact CD2-CB 4.25Å; W726-P738 HydrophobicContact CE3-CB 4.15Å; W726-P738 HydrophobicContact CH2-CB 4.36Å; W726-P738 HydrophobicContact CZ2-CB 4.46Å; W726-P738 HydrophobicContact CZ2-CG 4.28Å; W726-P738 HydrophobicContact CZ3-CB 4.2Å; W726-V741 HydrophobicContact CB-CG2 3.75Å
727	L	94.1	Very high	92.9	Very high	32 Å²	32	76.1 Å²	76.1	17%	0.168	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.6	179.8	-178.7	72.1	0	0	0	110.2	Q719 L721 G732 K734	Q719-L727 PolarHBondContact N-O 2.85Å; Q719-L727 PolarHBondContact O-N 2.67Å; L721-L727 HydrophobicContact CD1-CB 3.85Å; L721-L727 HydrophobicContact CD1-CD2 4.21Å; L721-L727 HydrophobicContact CD1-CG 4.44Å; L721-L727 HydrophobicContact CD2-CB 4.48Å; L721-L727 HydrophobicContact CD2-CD2 4.35Å; L721-L727 HydrophobicContact CG-CB 3.96Å; L727-G732 WeakPolarHBondContact CD1-O 3.26Å; L727-K734 HydrophobicContact CD1-CG 3.83Å
728	C	94.1	Very high	92.9	Very high	0 Å²	0	77.5 Å²	77.5	0%	0	39%	0.394	C	S	.	.			trans	-95.7	111.8	165.3	-174.4	0	0	0	0	109.6	L730 S731 G732 K733 F735 V741	C728-L730 PolarHBondContact O-N 2.9Å; C728-S731 PolarHBondContact O-N 3.19Å; C728-G732 WeakPolarHBondContact O-CA 3.45Å; C728-G732 PolarHBondContact O-N 3.16Å; C728-K733 PolarHBondContact N-O 3.31Å; C728-K733 VanDerWaalsContact N-O 3.11Å; C728-F735 HydrophobicContact CB-CE2 4.07Å; C728-V741 HydrophobicContact CB-CG1 3.92Å
729	P	93.4	Very high	92.9	Very high	57 Å²	57	82.1 Å²	82.1	37%	0.37	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.4	178.1	-25.8	36.2	0	0	0	113	N717 Q719 S731	N717-P729 WeakPolarHBondContact O-CD 3.24Å; Q719-P729 HydrophobicContact CG-CG 4.06Å; P729-S731 PolarHBondContact O-N 2.99Å; P729-S731 VanDerWaalsContact O-N 3.12Å
730	L	91.3	Very high	92.9	Very high	61 Å²	61	84.1 Å²	84.1	32%	0.319	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.2	-178	-52.9	177.1	0	0	0	114.8	F713 N717 C728 I745 H749	F713-L730 HydrophobicContact CE1-CD1 3.97Å; F713-L730 HydrophobicContact CZ-CD1 3.86Å; F713-L730 HydrophobicContact CZ-CD2 4.24Å; N717-L730 HydrophobicContact CB-CD1 4.38Å; N717-L730 HydrophobicContact CB-CG 4.38Å; N717-L730 WeakPolarHBondContact OD1-CD2 3.42Å; N717-L730 WeakPolarHBondContact OD1-CG 3.48Å; C728-L730 PolarHBondContact O-N 2.9Å; L730-I745 HydrophobicContact CD1-CG1 4.45Å; L730-I745 HydrophobicContact CD1-CG2 4.41Å; L730-H749 HydrophobicContact CD1-CB 4.14Å; L730-H749 PolarHBondContact O-CE1 3.41Å
731	S	90.1	Very high	92.8	Very high	43 Å²	43	78.7 Å²	78.7	30%	0.301	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-4.6	-176.9	69.7	0	0	0	0	114.9	C728 P729 K733 H744	C728-S731 PolarHBondContact O-N 3.19Å; P729-S731 PolarHBondContact O-N 2.99Å; P729-S731 VanDerWaalsContact O-N 3.12Å; S731-K733 PolarHBondContact O-N 3.11Å; S731-K733 WeakPolarHBondContact OG-CB 3.41Å; S731-K733 PolarHBondContact OG-N 2.98Å; S731-H744 WeakPolarHBondContact CB-NE2 3.35Å; S731-H744 PolarHBondContact OG-NE2 3.48Å
732	G	92.8	Very high	92.9	Very high	47 Å²	47	78.3 Å²	78.3	49%	0.485	39%	0.388	S	S	.	.			trans	63.9	0.6	-172.5	0	0	0	0	0	115.1	L727 C728	L727-G732 WeakPolarHBondContact CD1-O 3.26Å; C728-G732 WeakPolarHBondContact O-CA 3.45Å; C728-G732 PolarHBondContact O-N 3.16Å
733	K	93.6	Very high	93.1	Very high	111 Å²	111	83.6 Å²	83.6	48%	0.483	40%	0.404	S	S	.	.			trans	-74.2	140.5	-177.2	-68	-165.8	175.9	-166.9	0	111.1	C728 S731 F735	C728-K733 PolarHBondContact N-O 3.31Å; C728-K733 VanDerWaalsContact N-O 3.11Å; S731-K733 PolarHBondContact O-N 3.11Å; S731-K733 WeakPolarHBondContact OG-CB 3.41Å; S731-K733 PolarHBondContact OG-N 2.98Å; K733-F735 HydrophobicContact CB-CE2 3.57Å; K733-F735 HydrophobicContact CB-CZ 3.75Å; K733-F735 WeakPolarHBondContact O-CD2 3.44Å; K733-F735 WeakPolarHBondContact O-CE2 3.4Å
734	K	94.9	Very high	93.4	Very high	157 Å²	157	76.3 Å²	76.3	68%	0.683	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	138.9	-178.5	-67.1	175.3	-176.5	172.3	0	110.8	W726 L727	W726-K734 CarbonylContact O-C 3.59Å; W726-K734 VanDerWaalsContact O-CA 3.24Å; W726-K734 WeakPolarHBondContact O-CA 3.27Å; L727-K734 HydrophobicContact CD1-CG 3.83Å
735	F	95.5	Very high	93.6	Very high	42 Å²	42	70.4 Å²	70.4	18%	0.184	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	158.1	-171.3	-62.8	-87.9	0	0	0	111.4	W726 C728 K733 F740 V741 H744	W726-F735 HydrophobicContact CB-CB 4.45Å; W726-F735 PolarHBondContact N-O 2.93Å; W726-F735 PolarHBondContact O-N 3.4Å; C728-F735 HydrophobicContact CB-CE2 4.07Å; K733-F735 HydrophobicContact CB-CE2 3.57Å; K733-F735 HydrophobicContact CB-CZ 3.75Å; K733-F735 WeakPolarHBondContact O-CD2 3.44Å; K733-F735 WeakPolarHBondContact O-CE2 3.4Å; F735-F740 HydrophobicContact CB-CB 4.08Å; F735-F740 HydrophobicContact CD1-CB 3.82Å; F735-F740 HydrophobicContact CG-CB 4.28Å; F735-V741 HydrophobicContact CB-CG2 3.81Å; F735-V741 HydrophobicContact CD2-CG2 3.71Å; F735-V741 HydrophobicContact CG-CG2 3.94Å; F735-H744 HydrophobicContact CE1-CB 3.9Å; F735-H744 HydrophobicContact CE2-CB 4.3Å; F735-H744 HydrophobicContact CZ-CB 3.57Å; F735-H744 AromaticContact CZ-CD2 3.86Å; F735-H744 AromaticContact CZ-CG 3.37Å; F735-H744 AromaticContact CZ-ND1 3.75Å
736	K	92.6	Very high	93.6	Very high	169 Å²	169	67.2 Å²	67.2	74%	0.735	33%	0.331	S	S	*	.	S	Bend	trans	-83.3	-11.8	-177.3	-66.2	-176.4	179.5	178.7	0	114.6	D724	D724-K736 WeakPolarHBondContact O-CA 3.37Å
737	G	91.3	Very high	93.5	Very high	10 Å²	10	70.7 Å²	70.7	10%	0.103	35%	0.353	C	S	.	.	S	Bend	trans	-167.4	161.7	-177.9	0	0	0	0	0	111.8	E739 F740	G737-E739 PolarHBondContact O-N 3.48Å; G737-F740 PolarHBondContact O-N 3.11Å
738	P	93.4	Very high	93.5	Very high	49 Å²	49	76.4 Å²	76.4	32%	0.318	38%	0.376	S	S	.	.	H	α-helix	trans	-65.4	-36.6	-173.4	26.7	-34.1	0	0	0	112.4	T718 W726 F740 V741 R742	T718-P738 HydrophobicContact CG2-CB 3.62Å; W726-P738 HydrophobicContact CD2-CB 4.25Å; W726-P738 HydrophobicContact CE3-CB 4.15Å; W726-P738 HydrophobicContact CH2-CB 4.36Å; W726-P738 HydrophobicContact CZ2-CB 4.46Å; W726-P738 HydrophobicContact CZ2-CG 4.28Å; W726-P738 HydrophobicContact CZ3-CB 4.2Å; P738-F740 PolarHBondContact O-N 3.32Å; P738-F740 VanDerWaalsContact O-N 3.16Å; P738-V741 WeakPolarHBondContact O-CA 3.44Å; P738-V741 WeakPolarHBondContact O-CB 3.15Å; P738-V741 PolarHBondContact O-N 2.88Å; P738-R742 PolarHBondContact O-N 3.48Å
739	E	93.8	Very high	93.5	Very high	116 Å²	116	78 Å²	78	54%	0.542	38%	0.383	S	S	.	.	H	α-helix	trans	-56.2	-33	176.7	-58.5	-49.6	131.3	0	0	113.7	G737 K743	G737-E739 PolarHBondContact O-N 3.48Å; E739-K743 WeakPolarHBondContact O-CB 3.48Å; E739-K743 WeakPolarHBondContact O-CG 3.37Å; E739-K743 PolarHBondContact O-N 3.1Å
740	F	94.4	Very high	93.4	Very high	131 Å²	131	76.7 Å²	76.7	58%	0.575	38%	0.381	S	S	*	.	H	α-helix	trans	-75	-32.2	176.1	-62.2	-78.9	0	0	0	111.8	F735 G737 P738 H744	F735-F740 HydrophobicContact CB-CB 4.08Å; F735-F740 HydrophobicContact CD1-CB 3.82Å; F735-F740 HydrophobicContact CG-CB 4.28Å; G737-F740 PolarHBondContact O-N 3.11Å; P738-F740 PolarHBondContact O-N 3.32Å; P738-F740 VanDerWaalsContact O-N 3.16Å; F740-H744 VanDerWaalsContact O-CB 3.23Å; F740-H744 WeakPolarHBondContact O-CB 3.31Å; F740-H744 PolarHBondContact O-N 2.9Å
741	V	93.7	Very high	93.5	Very high	0 Å²	0	82.1 Å²	82.1	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-68.5	-47.3	172.1	-173.8	0	0	0	0	110.1	T718 W726 C728 F735 P738 K743 H744 I745	T718-V741 HydrophobicContact CG2-CB 3.87Å; T718-V741 HydrophobicContact CG2-CG1 4.15Å; T718-V741 HydrophobicContact CG2-CG2 4.14Å; T718-V741 WeakPolarHBondContact OG1-CG1 3.26Å; W726-V741 HydrophobicContact CB-CG2 3.75Å; C728-V741 HydrophobicContact CB-CG1 3.92Å; F735-V741 HydrophobicContact CB-CG2 3.81Å; F735-V741 HydrophobicContact CD2-CG2 3.71Å; F735-V741 HydrophobicContact CG-CG2 3.94Å; P738-V741 WeakPolarHBondContact O-CA 3.44Å; P738-V741 WeakPolarHBondContact O-CB 3.15Å; P738-V741 PolarHBondContact O-N 2.88Å; V741-K743 PolarHBondContact O-N 2.93Å; V741-H744 CarbonylContact O-C 3.46Å; V741-H744 WeakPolarHBondContact O-CB 3.39Å; V741-H744 PolarHBondContact O-N 2.88Å; V741-H744 VanDerWaalsContact O-N 3.12Å; V741-I745 HydrophobicContact CG1-CD1 3.78Å; V741-I745 HydrophobicContact CG1-CG1 4.25Å; V741-I745 WeakPolarHBondContact O-CG1 3.24Å; V741-I745 PolarHBondContact O-N 3.49Å
742	R	94.1	Very high	93.7	Very high	92 Å²	92	84.2 Å²	84.2	35%	0.347	41%	0.408	S	S	.	.	H	α-helix	trans	-54.4	-51.8	175.7	177.2	169.1	-176.5	148.8	5	111.9	E711 I714 P738 H744 I745 L746	E711-R742 IonicContact OE1-CZ 2.69Å; E711-R742 IonicContact OE1-NE 3.18Å; E711-R742 IonicContact OE1-NH1 2.64Å; E711-R742 IonicContact OE1-NH2 3.59Å; E711-R742 PolarHBondContact OE1-NH2 2.8Å; E711-R742 IonicContact OE2-CZ 2.7Å; E711-R742 IonicContact OE2-NH1 3.49Å; E711-R742 PolarHBondContact OE2-NH1 3.38Å; E711-R742 IonicContact OE2-NH2 3.79Å; E711-R742 PolarHBondContact OE2-NH2 3.37Å; I714-R742 HydrophobicContact CG2-CB 4.05Å; I714-R742 HydrophobicContact CG2-CG 3.95Å; P738-R742 PolarHBondContact O-N 3.48Å; R742-H744 VanDerWaalsContact C-N 3.33Å; R742-H744 PolarHBondContact O-N 3Å; R742-I745 PolarHBondContact O-N 3.42Å; R742-L746 HydrophobicContact CG-CD1 3.99Å; R742-L746 WeakPolarHBondContact O-CG 3.46Å; R742-L746 PolarHBondContact O-N 2.78Å
743	K	94.8	Very high	93.7	Very high	137 Å²	137	82.5 Å²	82.5	60%	0.596	39%	0.388	S	S	*	.	H	α-helix	trans	-64.3	-33.7	176.7	-71.2	179.9	-179.4	-174.8	0	113.1	E739 V741 N747	E739-K743 WeakPolarHBondContact O-CB 3.48Å; E739-K743 WeakPolarHBondContact O-CG 3.37Å; E739-K743 PolarHBondContact O-N 3.1Å; V741-K743 PolarHBondContact O-N 2.93Å; K743-N747 VanDerWaalsContact O-CB 3.27Å; K743-N747 WeakPolarHBondContact O-CB 3.31Å; K743-N747 VanDerWaalsContact O-CG 3.27Å; K743-N747 PolarHBondContact O-N 2.92Å; K743-N747 PolarHBondContact O-OD1 3.1Å
744	H	94.5	Very high	93.7	Very high	32 Å²	32	81.5 Å²	81.5	15%	0.148	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-43.8	172.9	168.5	75.9	0	0	0	112	S731 F735 F740 V741 R742 N747 K748 H749	S731-H744 WeakPolarHBondContact CB-NE2 3.35Å; S731-H744 PolarHBondContact OG-NE2 3.48Å; F735-H744 HydrophobicContact CE1-CB 3.9Å; F735-H744 HydrophobicContact CE2-CB 4.3Å; F735-H744 HydrophobicContact CZ-CB 3.57Å; F735-H744 AromaticContact CZ-CD2 3.86Å; F735-H744 AromaticContact CZ-CG 3.37Å; F735-H744 AromaticContact CZ-ND1 3.75Å; F740-H744 VanDerWaalsContact O-CB 3.23Å; F740-H744 WeakPolarHBondContact O-CB 3.31Å; F740-H744 PolarHBondContact O-N 2.9Å; V741-H744 CarbonylContact O-C 3.46Å; V741-H744 WeakPolarHBondContact O-CB 3.39Å; V741-H744 PolarHBondContact O-N 2.88Å; V741-H744 VanDerWaalsContact O-N 3.12Å; R742-H744 VanDerWaalsContact C-N 3.33Å; R742-H744 PolarHBondContact O-N 3Å; H744-N747 PolarHBondContact O-N 3.01Å; H744-K748 VanDerWaalsContact CE1-CB 3.48Å; H744-K748 WeakPolarHBondContact CE1-CB 3.33Å; H744-K748 WeakPolarHBondContact O-CB 3.46Å; H744-K748 PolarHBondContact O-N 2.82Å; H744-H749 AromaticContact CD2-CD2 3.91Å; H744-H749 AromaticContact CD2-NE2 3.97Å; H744-H749 AromaticContact CE1-NE2 3.71Å; H744-H749 AromaticContact NE2-CD2 2.59Å; H744-H749 PolarHBondContact NE2-CD2 2.77Å; H744-H749 AromaticContact NE2-CE1 3.34Å; H744-H749 PolarHBondContact NE2-CE1 3.42Å; H744-H749 VanDerWaalsContact NE2-CE1 3.34Å; H744-H749 AromaticContact NE2-CG 3.91Å; H744-H749 AromaticContact NE2-NE2 2.05Å; H744-H749 PolarHBondContact NE2-NE2 3.18Å
745	I	94.1	Very high	93.6	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-63.4	-49.3	177.5	-65.1	169.4	0	0	0	110.2	F713 I714 N717 L730 V741 R742 N747 H749 I753	F713-I745 HydrophobicContact CE1-CG2 4.39Å; I714-I745 HydrophobicContact CG1-CG2 4.06Å; N717-I745 HydrophobicContact CB-CD1 3.7Å; L730-I745 HydrophobicContact CD1-CG1 4.45Å; L730-I745 HydrophobicContact CD1-CG2 4.41Å; V741-I745 HydrophobicContact CG1-CD1 3.78Å; V741-I745 HydrophobicContact CG1-CG1 4.25Å; V741-I745 WeakPolarHBondContact O-CG1 3.24Å; V741-I745 PolarHBondContact O-N 3.49Å; R742-I745 PolarHBondContact O-N 3.42Å; I745-N747 PolarHBondContact O-N 3.25Å; I745-H749 HydrophobicContact CG2-CB 4.31Å; I745-H749 CarbonylContact O-C 3.57Å; I745-H749 VanDerWaalsContact O-CA 3.29Å; I745-H749 WeakPolarHBondContact O-CA 3.43Å; I745-H749 WeakPolarHBondContact O-CB 3.27Å; I745-H749 PolarHBondContact O-N 3.39Å; I745-I753 HydrophobicContact CG2-CD1 4.05Å; I745-I753 HydrophobicContact CG2-CG1 4.34Å
746	L	93.3	Very high	93.5	Very high	75 Å²	75	77.9 Å²	77.9	39%	0.393	37%	0.373	S	S	.	.	H	α-helix	trans	-56.3	-48.4	176.3	-67.9	167.5	0	0	0	112.3	I714 R742 I753	I714-L746 HydrophobicContact CD1-CD2 4.08Å; I714-L746 HydrophobicContact CD1-CG 4.44Å; R742-L746 HydrophobicContact CG-CD1 3.99Å; R742-L746 WeakPolarHBondContact O-CG 3.46Å; R742-L746 PolarHBondContact O-N 2.78Å; L746-I753 HydrophobicContact CD2-CD1 3.91Å
747	N	94.1	Very high	93.6	Very high	124 Å²	124	72.5 Å²	72.5	66%	0.663	35%	0.35	S	S	*	.	H	α-helix	trans	-89.2	-13.3	-170.7	-64.1	13.8	0	0	0	115	K743 H744 I745	K743-N747 VanDerWaalsContact O-CB 3.27Å; K743-N747 WeakPolarHBondContact O-CB 3.31Å; K743-N747 VanDerWaalsContact O-CG 3.27Å; K743-N747 PolarHBondContact O-N 2.92Å; K743-N747 PolarHBondContact O-OD1 3.1Å; H744-N747 PolarHBondContact O-N 3.01Å; I745-N747 PolarHBondContact O-N 3.25Å
748	K	93.8	Very high	93.7	Very high	151 Å²	151	75.7 Å²	75.7	66%	0.657	36%	0.36	S	S	*	.	H	α-helix	trans	-128.9	-9.2	-177.5	-61.4	-64.3	177.2	-168.9	0	114.8	H744	H744-K748 VanDerWaalsContact CE1-CB 3.48Å; H744-K748 WeakPolarHBondContact CE1-CB 3.33Å; H744-K748 WeakPolarHBondContact O-CB 3.46Å; H744-K748 PolarHBondContact O-N 2.82Å
749	H	94	Very high	93.7	Very high	33 Å²	33	77.3 Å²	77.3	15%	0.153	36%	0.364	C	S	.	.			trans	-129.4	29.3	177.3	-60.4	-81.3	0	0	0	111.9	L730 H744 I745 E751 K752 I753	L730-H749 HydrophobicContact CD1-CB 4.14Å; L730-H749 PolarHBondContact O-CE1 3.41Å; H744-H749 AromaticContact CD2-CD2 3.91Å; H744-H749 AromaticContact CD2-NE2 3.97Å; H744-H749 AromaticContact CE1-NE2 3.71Å; H744-H749 AromaticContact NE2-CD2 2.59Å; H744-H749 PolarHBondContact NE2-CD2 2.77Å; H744-H749 AromaticContact NE2-CE1 3.34Å; H744-H749 PolarHBondContact NE2-CE1 3.42Å; H744-H749 VanDerWaalsContact NE2-CE1 3.34Å; H744-H749 AromaticContact NE2-CG 3.91Å; H744-H749 AromaticContact NE2-NE2 2.05Å; H744-H749 PolarHBondContact NE2-NE2 3.18Å; I745-H749 HydrophobicContact CG2-CB 4.31Å; I745-H749 CarbonylContact O-C 3.57Å; I745-H749 VanDerWaalsContact O-CA 3.29Å; I745-H749 WeakPolarHBondContact O-CA 3.43Å; I745-H749 WeakPolarHBondContact O-CB 3.27Å; I745-H749 PolarHBondContact O-N 3.39Å; H749-E751 PolarHBondContact O-N 3.14Å; H749-K752 HydrophobicContact CB-CB 4.43Å; H749-K752 WeakPolarHBondContact O-CA 3.47Å; H749-K752 WeakPolarHBondContact O-CB 3.38Å; H749-K752 PolarHBondContact O-N 3.15Å; H749-I753 PolarHBondContact O-N 3.27Å
750	G	92.4	Very high	93.7	Very high	31 Å²	31	72.2 Å²	72.2	32%	0.32	34%	0.341	S	S	.	.	H	α-helix	trans	-52.6	-38.8	177.1	0	0	0	0	0	113.6	K752 I753 E754	G750-K752 VanDerWaalsContact C-N 3.27Å; G750-K752 PolarHBondContact O-N 2.8Å; G750-I753 WeakPolarHBondContact O-CB 3.46Å; G750-I753 PolarHBondContact O-N 3.02Å; G750-I753 VanDerWaalsContact O-N 3.07Å; G750-E754 PolarHBondContact O-N 3.47Å
751	E	93.1	Very high	93.6	Very high	174 Å²	174	68.4 Å²	68.4	81%	0.813	33%	0.328	S	S	*	.	H	α-helix	trans	-55.4	-40.1	173.5	-63.1	178.2	171.4	0	0	112.7	H749 E755	H749-E751 PolarHBondContact O-N 3.14Å; E751-E755 WeakPolarHBondContact O-CB 3.39Å; E751-E755 PolarHBondContact O-N 3.15Å
752	K	93	Very high	93.6	Very high	88 Å²	88	68.4 Å²	68.4	38%	0.383	33%	0.328	S	S	.	.	H	α-helix	trans	-73.6	-30.5	178.2	-70.5	-77.7	152.8	-162.8	0	112.2	F713 H749 G750 E755 V756	F713-K752 HydrophobicContact CE1-CB 4.34Å; F713-K752 HydrophobicContact CZ-CB 4.12Å; H749-K752 HydrophobicContact CB-CB 4.43Å; H749-K752 WeakPolarHBondContact O-CA 3.47Å; H749-K752 WeakPolarHBondContact O-CB 3.38Å; H749-K752 PolarHBondContact O-N 3.15Å; G750-K752 VanDerWaalsContact C-N 3.27Å; G750-K752 PolarHBondContact O-N 2.8Å; K752-E755 VanDerWaalsContact CD-OE2 3.22Å; K752-E755 WeakPolarHBondContact CD-OE2 3.46Å; K752-E755 WeakPolarHBondContact CE-OE2 3.2Å; K752-E755 IonicContact NZ-OE1 2.7Å; K752-E755 PolarHBondContact NZ-OE1 2.94Å; K752-E755 IonicContact NZ-OE2 3.25Å; K752-E755 PolarHBondContact NZ-OE2 3.43Å; K752-V756 WeakPolarHBondContact O-CG2 3.41Å; K752-V756 PolarHBondContact O-N 3.08Å
753	I	93.4	Very high	93.6	Very high	10 Å²	10	64.4 Å²	64.4	5%	0.051	31%	0.313	C	S	.	.	H	α-helix	trans	-67.7	-45.2	173.7	-70.8	153.2	0	0	0	110.4	V710 I745 L746 H749 G750 E755 V756 K757	V710-I753 HydrophobicContact CG1-CG2 3.82Å; V710-I753 HydrophobicContact CG2-CG2 3.94Å; I745-I753 HydrophobicContact CG2-CD1 4.05Å; I745-I753 HydrophobicContact CG2-CG1 4.34Å; L746-I753 HydrophobicContact CD2-CD1 3.91Å; H749-I753 PolarHBondContact O-N 3.27Å; G750-I753 WeakPolarHBondContact O-CB 3.46Å; G750-I753 PolarHBondContact O-N 3.02Å; G750-I753 VanDerWaalsContact O-N 3.07Å; I753-E755 VanDerWaalsContact C-N 3.35Å; I753-V756 PolarHBondContact O-N 3.41Å; I753-K757 PolarHBondContact O-N 3.4Å
754	E	93.1	Very high	93.5	Very high	91 Å²	91	58.7 Å²	58.7	43%	0.425	29%	0.289	S	S	.	.	H	α-helix	trans	-69.4	-31.9	176.9	-64	-53.2	126	0	0	112.4	G750 K757 K758	G750-E754 PolarHBondContact O-N 3.47Å; E754-K757 PolarHBondContact O-N 3.11Å; E754-K757 WeakPolarHBondContact OE1-CE 3.39Å; E754-K757 IonicContact OE1-NZ 3.73Å; E754-K757 PolarHBondContact OE1-NZ 3.27Å; E754-K757 IonicContact OE2-NZ 3.61Å; E754-K758 WeakPolarHBondContact O-CB 3.3Å; E754-K758 VanDerWaalsContact O-CG 3.25Å; E754-K758 WeakPolarHBondContact O-CG 3.45Å; E754-K758 PolarHBondContact O-N 3.28Å
755	E	93.4	Very high	93.4	Very high	95 Å²	95	60.4 Å²	60.4	44%	0.444	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-42.4	169.8	-169.4	177.3	-170	0	0	112.1	E751 K752 I753 K758 E759	E751-E755 WeakPolarHBondContact O-CB 3.39Å; E751-E755 PolarHBondContact O-N 3.15Å; K752-E755 VanDerWaalsContact CD-OE2 3.22Å; K752-E755 WeakPolarHBondContact CD-OE2 3.46Å; K752-E755 WeakPolarHBondContact CE-OE2 3.2Å; K752-E755 IonicContact NZ-OE1 2.7Å; K752-E755 PolarHBondContact NZ-OE1 2.94Å; K752-E755 IonicContact NZ-OE2 3.25Å; K752-E755 PolarHBondContact NZ-OE2 3.43Å; I753-E755 VanDerWaalsContact C-N 3.35Å; E755-K758 PolarHBondContact O-N 2.86Å; E755-E759 PolarHBondContact O-N 3.26Å
756	V	93.7	Very high	93.3	Very high	27 Å²	27	60.5 Å²	60.5	16%	0.164	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-47.7	173.2	167.7	0	0	0	0	111.3	V710 F713 K752 I753 K758 E759 V760	V710-V756 HydrophobicContact CG2-CG1 4.03Å; F713-V756 HydrophobicContact CB-CG1 4.35Å; F713-V756 HydrophobicContact CB-CG2 4.24Å; F713-V756 HydrophobicContact CD1-CG2 4.26Å; F713-V756 HydrophobicContact CD2-CG2 3.64Å; F713-V756 HydrophobicContact CE2-CG2 3.97Å; F713-V756 HydrophobicContact CG-CG2 3.79Å; F713-V756 HydrophobicContact CZ-CG2 4.42Å; K752-V756 WeakPolarHBondContact O-CG2 3.41Å; K752-V756 PolarHBondContact O-N 3.08Å; I753-V756 PolarHBondContact O-N 3.41Å; V756-K758 VanDerWaalsContact C-N 3.26Å; V756-K758 PolarHBondContact O-N 3.44Å; V756-E759 PolarHBondContact O-N 3.47Å; V756-V760 WeakPolarHBondContact O-CG2 3.45Å; V756-V760 PolarHBondContact O-N 3.35Å
757	K	93.9	Very high	93.2	Very high	57 Å²	57	56.9 Å²	56.9	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-57.8	-39.9	174.6	-69.9	177.7	-175.8	167.6	0	111.8	P706 V710 I753 E754 V760 V761	P706-K757 HydrophobicContact CB-CG 4.33Å; V710-K757 HydrophobicContact CG2-CD 4.49Å; V710-K757 HydrophobicContact CG2-CG 3.68Å; I753-K757 PolarHBondContact O-N 3.4Å; E754-K757 PolarHBondContact O-N 3.11Å; E754-K757 WeakPolarHBondContact OE1-CE 3.39Å; E754-K757 IonicContact OE1-NZ 3.73Å; E754-K757 PolarHBondContact OE1-NZ 3.27Å; E754-K757 IonicContact OE2-NZ 3.61Å; K757-V760 PolarHBondContact O-N 3.35Å; K757-V761 WeakPolarHBondContact O-CG2 3.22Å; K757-V761 PolarHBondContact O-N 3.36Å
758	K	93.4	Very high	93	Very high	76 Å²	76	52.5 Å²	52.5	33%	0.33	26%	0.257	S	S	.	.	H	α-helix	trans	-66.6	-41.2	176.6	-75.4	175.8	179.1	-165.6	0	112.8	P202 D203 E754 E755 V756 V760 V761 F762	P202-K758 HydrophobicContact CG-CB 4.03Å; P202-K758 HydrophobicContact CG-CG 3.95Å; D203-K758 VanDerWaalsContact OD1-CE 3.27Å; D203-K758 WeakPolarHBondContact OD1-CE 3.37Å; D203-K758 IonicContact OD1-NZ 2.79Å; D203-K758 PolarHBondContact OD1-NZ 3.14Å; D203-K758 IonicContact OD2-NZ 2.72Å; D203-K758 PolarHBondContact OD2-NZ 3.17Å; E754-K758 WeakPolarHBondContact O-CB 3.3Å; E754-K758 VanDerWaalsContact O-CG 3.25Å; E754-K758 WeakPolarHBondContact O-CG 3.45Å; E754-K758 PolarHBondContact O-N 3.28Å; E755-K758 PolarHBondContact O-N 2.86Å; V756-K758 VanDerWaalsContact C-N 3.26Å; V756-K758 PolarHBondContact O-N 3.44Å; K758-V760 VanDerWaalsContact C-N 3.33Å; K758-V760 PolarHBondContact O-N 3.03Å; K758-V761 PolarHBondContact O-N 2.82Å; K758-F762 WeakPolarHBondContact O-CB 3.21Å; K758-F762 PolarHBondContact O-N 2.93Å
759	E	93	Very high	92.7	Very high	83 Å²	83	46.6 Å²	46.6	39%	0.388	23%	0.233	S	C	.	.	H	α-helix	trans	-64.5	-35.7	172.7	-76.7	-151.2	141	0	0	112.1	K191 E755 V756 F762 F763	K191-E759 IonicContact NZ-OE1 3.3Å; K191-E759 PolarHBondContact NZ-OE1 3.49Å; E755-E759 PolarHBondContact O-N 3.26Å; V756-E759 PolarHBondContact O-N 3.47Å; E759-F762 PolarHBondContact O-N 3.3Å; E759-F763 WeakPolarHBondContact O-CB 3.39Å; E759-F763 PolarHBondContact O-N 2.89Å
760	V	93.7	Very high	92.3	Very high	9 Å²	9	47 Å²	47	6%	0.055	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-46.4	174.3	173	0	0	0	0	111.9	K704 P706 E709 V756 K757 K758 F762 F763 N764	K704-V760 HydrophobicContact CB-CG1 3.97Å; P706-V760 HydrophobicContact CB-CG1 4.35Å; P706-V760 HydrophobicContact CG-CG1 4.12Å; E709-V760 HydrophobicContact CB-CG2 3.62Å; E709-V760 HydrophobicContact CG-CG2 3.76Å; V756-V760 WeakPolarHBondContact O-CG2 3.45Å; V756-V760 PolarHBondContact O-N 3.35Å; K757-V760 PolarHBondContact O-N 3.35Å; K758-V760 VanDerWaalsContact C-N 3.33Å; K758-V760 PolarHBondContact O-N 3.03Å; V760-F762 VanDerWaalsContact C-N 3.32Å; V760-F762 PolarHBondContact O-N 2.93Å; V760-F763 PolarHBondContact O-N 3.05Å; V760-N764 WeakPolarHBondContact O-CB 3.35Å; V760-N764 VanDerWaalsContact O-CG 3.26Å; V760-N764 PolarHBondContact O-N 2.82Å; V760-N764 PolarHBondContact O-ND2 3.09Å
761	V	93.5	Very high	91.9	Very high	52 Å²	52	51.6 Å²	51.6	32%	0.315	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-39	175	170.4	0	0	0	0	111.1	P202 K757 K758 N764 N765	P202-V761 HydrophobicContact CB-CG1 3.95Å; P202-V761 HydrophobicContact CG-CB 4.38Å; P202-V761 HydrophobicContact CG-CG1 4.09Å; K757-V761 WeakPolarHBondContact O-CG2 3.22Å; K757-V761 PolarHBondContact O-N 3.36Å; K758-V761 PolarHBondContact O-N 2.82Å; V761-N764 PolarHBondContact O-N 3.26Å; V761-N765 VanDerWaalsContact O-CB 3.31Å; V761-N765 WeakPolarHBondContact O-CB 3.46Å; V761-N765 PolarHBondContact O-N 3.14Å; V761-N765 PolarHBondContact O-ND2 3.45Å
762	F	94	Very high	91.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-46.5	175.2	179.8	-162.6	0	0	0	112	F187 K191 F196 R197 Y200 H201 K758 E759 V760 N765 F766	F187-F762 HydrophobicContact CE2-CB 4.37Å; F187-F762 AromaticContact CE2-CD1 3.88Å; F187-F762 HydrophobicContact CE2-CD1 3.88Å; F187-F762 AromaticContact CE2-CD2 3.89Å; F187-F762 HydrophobicContact CE2-CD2 3.89Å; F187-F762 HydrophobicContact CE2-CE1 4.15Å; F187-F762 HydrophobicContact CE2-CE2 4.15Å; F187-F762 AromaticContact CE2-CG 3.75Å; F187-F762 HydrophobicContact CE2-CG 3.75Å; F187-F762 HydrophobicContact CE2-CZ 4.28Å; F187-F762 HydrophobicContact CZ-CB 4.39Å; F187-F762 AromaticContact CZ-CD1 3.69Å; F187-F762 HydrophobicContact CZ-CD1 3.69Å; F187-F762 HydrophobicContact CZ-CE1 4.09Å; F187-F762 AromaticContact CZ-CG 3.94Å; F187-F762 HydrophobicContact CZ-CG 3.94Å; K191-F762 HydrophobicContact CB-CE1 3.8Å; K191-F762 HydrophobicContact CB-CZ 4.1Å; K191-F762 WeakPolarHBondContact O-CE1 3.32Å; K191-F762 WeakPolarHBondContact O-CZ 3.41Å; F196-F762 AromaticContact CD1-CE2 3.59Å; F196-F762 HydrophobicContact CD1-CE2 3.59Å; F196-F762 AromaticContact CD1-CZ 3.63Å; F196-F762 HydrophobicContact CD1-CZ 3.63Å; F196-F762 HydrophobicContact CE1-CD2 4.46Å; F196-F762 AromaticContact CE1-CE2 3.59Å; F196-F762 HydrophobicContact CE1-CE2 3.59Å; F196-F762 AromaticContact CE1-CZ 3.84Å; F196-F762 HydrophobicContact CE1-CZ 3.84Å; R197-F762 HydrophobicContact CB-CZ 4.37Å; R197-F762 HydrophobicContact CG-CE1 4.29Å; R197-F762 HydrophobicContact CG-CZ 3.78Å; Y200-F762 VanDerWaalsContact C-CD2 3.49Å; H201-F762 HydrophobicContact CB-CD1 4.37Å; H201-F762 HydrophobicContact CB-CD2 3.98Å; H201-F762 HydrophobicContact CB-CE1 4.41Å; H201-F762 HydrophobicContact CB-CE2 4.03Å; H201-F762 HydrophobicContact CB-CG 4.15Å; H201-F762 HydrophobicContact CB-CZ 4.24Å; H201-F762 AromaticContact CD2-CD1 3.74Å; H201-F762 AromaticContact CD2-CE1 3.96Å; K758-F762 WeakPolarHBondContact O-CB 3.21Å; K758-F762 PolarHBondContact O-N 2.93Å; E759-F762 PolarHBondContact O-N 3.3Å; V760-F762 VanDerWaalsContact C-N 3.32Å; V760-F762 PolarHBondContact O-N 2.93Å; F762-N765 PolarHBondContact O-N 3.48Å; F762-F766 PolarHBondContact O-N 3.4Å
763	F	93.3	Very high	91.1	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.035	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-45.8	174.3	178.2	-104.3	0	0	0	111.9	F187 K704 E759 V760 N765 F766 L767	F187-F763 HydrophobicContact CB-CD2 3.9Å; F187-F763 HydrophobicContact CB-CE2 4.15Å; F187-F763 AromaticContact CD1-CD2 3.96Å; F187-F763 HydrophobicContact CD1-CD2 3.96Å; F187-F763 HydrophobicContact CD2-CB 4.25Å; F187-F763 AromaticContact CD2-CD2 3.83Å; F187-F763 HydrophobicContact CD2-CD2 3.83Å; F187-F763 HydrophobicContact CE1-CB 4.33Å; F187-F763 HydrophobicContact CE1-CD2 4.44Å; F187-F763 VanDerWaalsContact CE2-CA 3.48Å; F187-F763 HydrophobicContact CE2-CB 3.92Å; F187-F763 HydrophobicContact CE2-CD2 4.34Å; F187-F763 AromaticContact CG-CD2 3.62Å; F187-F763 HydrophobicContact CG-CD2 3.62Å; F187-F763 HydrophobicContact CG-CE2 4.35Å; F187-F763 HydrophobicContact CZ-CB 3.95Å; K704-F763 HydrophobicContact CD-CD1 4.04Å; K704-F763 HydrophobicContact CD-CE1 4.28Å; K704-F763 HydrophobicContact CG-CD1 4.13Å; K704-F763 HydrophobicContact CG-CE1 4.16Å; E759-F763 WeakPolarHBondContact O-CB 3.39Å; E759-F763 PolarHBondContact O-N 2.89Å; V760-F763 PolarHBondContact O-N 3.05Å; F763-N765 PolarHBondContact O-N 3.13Å; F763-F766 PolarHBondContact O-N 3.37Å; F763-L767 HydrophobicContact CD1-CD1 4.46Å; F763-L767 HydrophobicContact CE1-CD1 3.62Å; F763-L767 HydrophobicContact CZ-CD1 3.9Å; F763-L767 WeakPolarHBondContact O-CB 3.41Å; F763-L767 PolarHBondContact O-N 2.95Å
764	N	92.9	Very high	90.5	Very high	17 Å²	17	46.3 Å²	46.3	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-62.4	-42.2	177.8	-74.1	-21.4	0	0	0	111.7	K704 V760 V761 F766 L767 M768	K704-N764 PolarHBondContact N-OD1 3.39Å; K704-N764 PolarHBondContact O-ND2 2.95Å; V760-N764 WeakPolarHBondContact O-CB 3.35Å; V760-N764 VanDerWaalsContact O-CG 3.26Å; V760-N764 PolarHBondContact O-N 2.82Å; V760-N764 PolarHBondContact O-ND2 3.09Å; V761-N764 PolarHBondContact O-N 3.26Å; N764-F766 VanDerWaalsContact C-N 3.3Å; N764-F766 PolarHBondContact O-N 3.18Å; N764-L767 PolarHBondContact O-N 2.86Å; N764-L767 VanDerWaalsContact O-N 3.11Å; N764-M768 WeakPolarHBondContact O-CB 3.26Å; N764-M768 WeakPolarHBondContact O-CG 3.41Å; N764-M768 PolarHBondContact O-N 2.92Å
765	N	92.4	Very high	89.8	Confident	67 Å²	67	46.1 Å²	46.1	36%	0.358	24%	0.238	S	C	.	.	H	α-helix	trans	-60.1	-37.7	176.8	-75	-18.2	0	0	0	112.6	Y200 V761 F762 F763	Y200-N765 HydrophobicContact CD1-CB 4.22Å; Y200-N765 VanDerWaalsContact CD1-O 3.31Å; Y200-N765 WeakPolarHBondContact CD1-O 3.29Å; Y200-N765 WeakPolarHBondContact CE1-O 3.27Å; Y200-N765 WeakPolarHBondContact O-CB 3.44Å; Y200-N765 PolarHBondContact O-ND2 3.2Å; V761-N765 VanDerWaalsContact O-CB 3.31Å; V761-N765 WeakPolarHBondContact O-CB 3.46Å; V761-N765 PolarHBondContact O-N 3.14Å; V761-N765 PolarHBondContact O-ND2 3.45Å; F762-N765 PolarHBondContact O-N 3.48Å; F763-N765 PolarHBondContact O-N 3.13Å
766	F	92.1	Very high	88.8	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-69.5	-42.7	171.8	162.3	-112	0	0	0	112.3	M183 F186 F187 F196 Y200 F762 F763 N764 D769 R772	M183-F766 HydrophobicContact CB-CE1 4.17Å; M183-F766 HydrophobicContact CE-CE1 4.15Å; M183-F766 HydrophobicContact CG-CE1 4.46Å; F186-F766 HydrophobicContact CD1-CE1 4.32Å; F186-F766 AromaticContact CD1-CE2 3.8Å; F186-F766 HydrophobicContact CD1-CE2 3.8Å; F186-F766 AromaticContact CD1-CZ 3.48Å; F186-F766 HydrophobicContact CD1-CZ 3.48Å; F186-F766 VanDerWaalsContact CD1-CZ 3.48Å; F186-F766 AromaticContact CE1-CE2 3.97Å; F186-F766 HydrophobicContact CE1-CE2 3.97Å; F186-F766 HydrophobicContact CE1-CZ 4.13Å; F186-F766 HydrophobicContact CG-CZ 4.3Å; F187-F766 HydrophobicContact CB-CD1 4.27Å; F187-F766 HydrophobicContact CB-CE1 4.3Å; F187-F766 HydrophobicContact CD2-CD1 4.27Å; F196-F766 HydrophobicContact CE2-CB 4.42Å; F196-F766 AromaticContact CE2-CD2 3.5Å; F196-F766 HydrophobicContact CE2-CD2 3.5Å; F196-F766 VanDerWaalsContact CE2-CD2 3.5Å; F196-F766 AromaticContact CE2-CE2 3.87Å; F196-F766 HydrophobicContact CE2-CE2 3.87Å; F196-F766 AromaticContact CE2-CG 3.98Å; F196-F766 HydrophobicContact CE2-CG 3.98Å; F196-F766 HydrophobicContact CZ-CB 3.85Å; F196-F766 HydrophobicContact CZ-CD1 4.15Å; F196-F766 AromaticContact CZ-CD2 3.64Å; F196-F766 HydrophobicContact CZ-CD2 3.64Å; F196-F766 HydrophobicContact CZ-CE2 4.2Å; F196-F766 AromaticContact CZ-CG 3.6Å; F196-F766 HydrophobicContact CZ-CG 3.6Å; Y200-F766 HydrophobicContact CD1-CB 4.25Å; Y200-F766 HydrophobicContact CD2-CB 4Å; Y200-F766 HydrophobicContact CD2-CD2 4.36Å; Y200-F766 HydrophobicContact CE1-CB 4.46Å; Y200-F766 HydrophobicContact CE2-CB 4.23Å; Y200-F766 AromaticContact CE2-CD2 3.82Å; Y200-F766 HydrophobicContact CE2-CD2 3.82Å; Y200-F766 HydrophobicContact CG-CB 4Å; F762-F766 PolarHBondContact O-N 3.4Å; F763-F766 PolarHBondContact O-N 3.37Å; N764-F766 VanDerWaalsContact C-N 3.3Å; N764-F766 PolarHBondContact O-N 3.18Å; F766-D769 PolarHBondContact O-N 3.28Å; F766-R772 HydrophobicContact CD2-CB 4.09Å; F766-R772 HydrophobicContact CE2-CB 3.87Å; F766-R772 HydrophobicContact CE2-CG 4.26Å
767	L	90.9	Very high	87.3	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.6	-40.8	-177.7	-179.5	153	0	0	0	112.6	M183 L693 A698 M701 R703 F763 N764 D769	M183-L767 HydrophobicContact CE-CB 3.94Å; M183-L767 HydrophobicContact CE-CD1 4.35Å; M183-L767 HydrophobicContact CE-CG 3.79Å; L693-L767 WeakPolarHBondContact CD1-O 3.41Å; A698-L767 HydrophobicContact CB-CD2 3.85Å; M701-L767 HydrophobicContact CB-CD1 4.47Å; M701-L767 HydrophobicContact CB-CD2 4.48Å; M701-L767 HydrophobicContact CB-CG 4.47Å; M701-L767 WeakPolarHBondContact O-CD1 3.47Å; R703-L767 HydrophobicContact CB-CD2 4.08Å; F763-L767 HydrophobicContact CD1-CD1 4.46Å; F763-L767 HydrophobicContact CE1-CD1 3.62Å; F763-L767 HydrophobicContact CZ-CD1 3.9Å; F763-L767 WeakPolarHBondContact O-CB 3.41Å; F763-L767 PolarHBondContact O-N 2.95Å; N764-L767 PolarHBondContact O-N 2.86Å; N764-L767 VanDerWaalsContact O-N 3.11Å; L767-D769 VanDerWaalsContact C-N 3.26Å; L767-D769 PolarHBondContact O-N 2.69Å
768	M	89.3	Confident	85.4	Confident	31 Å²	31	55.8 Å²	55.8	15%	0.153	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.9	-179.2	-67.4	-59.8	-59.7	0	0	113.6	I692 L693 A698 N764 A770	I692-M768 CarbonylContact C-O 3.56Å; I692-M768 WeakPolarHBondContact CA-O 3.4Å; I692-M768 HydrophobicContact CG2-CB 4.38Å; I692-M768 HydrophobicContact CG2-CE 3.47Å; I692-M768 VanDerWaalsContact CG2-CE 3.47Å; L693-M768 PolarHBondContact N-O 3.3Å; L693-M768 WeakPolarHBondContact O-CE 3.28Å; A698-M768 HydrophobicContact CB-CE 4.17Å; A698-M768 HydrophobicContact CB-SD 3.32Å; A698-M768 WeakPolarHBondContact CB-SD 3.5Å; N764-M768 WeakPolarHBondContact O-CB 3.26Å; N764-M768 WeakPolarHBondContact O-CG 3.41Å; N764-M768 PolarHBondContact O-N 2.92Å; M768-A770 PolarHBondContact O-N 2.73Å
769	D	88.9	Confident	83.3	Confident	28 Å²	28	58.7 Å²	58.7	15%	0.15	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-76.1	114.1	179.5	-179.8	3.3	0	0	0	111	K199 Y200 F766 L767 K771 R772	K199-D769 VanDerWaalsContact CE-OD2 3.28Å; K199-D769 WeakPolarHBondContact CE-OD2 3.29Å; K199-D769 IonicContact NZ-OD2 3.52Å; K199-D769 PolarHBondContact NZ-OD2 3.39Å; Y200-D769 HydrophobicContact CE1-CB 3.87Å; Y200-D769 WeakPolarHBondContact CE1-OD2 3.42Å; Y200-D769 PolarHBondContact OH-OD2 3.35Å; F766-D769 PolarHBondContact O-N 3.28Å; L767-D769 VanDerWaalsContact C-N 3.26Å; L767-D769 PolarHBondContact O-N 2.69Å; D769-K771 VanDerWaalsContact C-N 3.26Å; D769-K771 PolarHBondContact O-N 3.46Å; D769-K771 WeakPolarHBondContact OD1-CA 3.4Å; D769-K771 PolarHBondContact OD1-N 2.67Å; D769-R772 HydrophobicContact CB-CB 4.04Å; D769-R772 WeakPolarHBondContact O-CB 3.39Å; D769-R772 WeakPolarHBondContact O-CD 3.15Å; D769-R772 WeakPolarHBondContact O-CG 3.21Å; D769-R772 PolarHBondContact O-N 2.84Å; D769-R772 PolarHBondContact O-NH1 3Å; D769-R772 PolarHBondContact OD1-N 2.92Å
770	A	84.5	Confident	81.1	Confident	40 Å²	40	61 Å²	61	33%	0.331	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.6	177.4	0	0	0	0	0	112.3	E691 L693 M768	E691-A770 HydrophobicContact CB-CB 3.76Å; E691-A770 VanDerWaalsContact O-CB 3.27Å; E691-A770 WeakPolarHBondContact O-CB 3.46Å; E691-A770 PolarHBondContact O-N 3.49Å; E691-A770 VanDerWaalsContact O-N 3.1Å; L693-A770 HydrophobicContact CD2-CB 3.99Å; M768-A770 PolarHBondContact O-N 2.73Å
771	K	83.6	Confident	78.9	Confident	128 Å²	128	65.7 Å²	65.7	56%	0.557	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	35.5	179.1	-71.1	166	173.2	161.1	0	110.8	E691 D769	E691-K771 IonicContact OE1-NZ 3.88Å; E691-K771 PolarHBondContact OE1-NZ 3.1Å; E691-K771 WeakPolarHBondContact OE2-CE 3.47Å; E691-K771 IonicContact OE2-NZ 3.62Å; E691-K771 PolarHBondContact OE2-NZ 3.27Å; E691-K771 VanDerWaalsContact OE2-NZ 3.11Å; D769-K771 VanDerWaalsContact C-N 3.26Å; D769-K771 PolarHBondContact O-N 3.46Å; D769-K771 WeakPolarHBondContact OD1-CA 3.4Å; D769-K771 PolarHBondContact OD1-N 2.67Å
772	R	86	Confident	76.6	Confident	65 Å²	65	69 Å²	69	25%	0.245	37%	0.369	C	S	.	.			trans	-63.7	146.2	176.6	63.2	-170.8	171.2	-77.5	-0.2	112.2	M183 F766 D769	M183-R772 PolarHBondContact SD-NE 3.07Å; M183-R772 VanDerWaalsContact SD-NE 3.43Å; F766-R772 HydrophobicContact CD2-CB 4.09Å; F766-R772 HydrophobicContact CE2-CB 3.87Å; F766-R772 HydrophobicContact CE2-CG 4.26Å; D769-R772 HydrophobicContact CB-CB 4.04Å; D769-R772 WeakPolarHBondContact O-CB 3.39Å; D769-R772 WeakPolarHBondContact O-CD 3.15Å; D769-R772 WeakPolarHBondContact O-CG 3.21Å; D769-R772 PolarHBondContact O-N 2.84Å; D769-R772 PolarHBondContact O-NH1 3Å; D769-R772 PolarHBondContact OD1-N 2.92Å
773	P	84.8	Confident	74.2	Confident	24 Å²	24	76.3 Å²	76.3	16%	0.156	41%	0.408	C	S	.	.			trans	-57	143.2	170.1	-17	25.8	0	0	0	111.5	F186 W195 Y200 F475	F186-P773 HydrophobicContact CE1-CB 4.19Å; F186-P773 HydrophobicContact CZ-CB 3.93Å; W195-P773 HydrophobicContact CH2-CB 4Å; W195-P773 HydrophobicContact CH2-CG 3.91Å; W195-P773 HydrophobicContact CZ3-CB 4.26Å; W195-P773 HydrophobicContact CZ3-CG 3.69Å; Y200-P773 WeakPolarHBondContact OH-CD 3.33Å; F475-P773 HydrophobicContact CE1-CB 4.02Å
774	S	80.8	Confident	72.1	Confident	73 Å²	73	81.6 Å²	81.6	51%	0.51	44%	0.442	S	S	.	.			trans	-142.9	160.8	170.6	59.9	0	0	0	0	109.4
775	L	76.8	Confident	69.9	Low	87 Å²	87	87.4 Å²	87.4	46%	0.455	48%	0.478	S	S	.	.			trans	-68.4	135.8	168	-72.5	168.2	0	0	0	109.2	P145 F186 F475 E777	P145-L775 HydrophobicContact CB-CD1 4.29Å; P145-L775 HydrophobicContact CG-CD1 4.22Å; F186-L775 HydrophobicContact CD2-CG 4.43Å; F186-L775 HydrophobicContact CE2-CG 4.29Å; F475-L775 HydrophobicContact CE2-CD2 3.77Å; F475-L775 HydrophobicContact CE2-CG 4.48Å; F475-L775 HydrophobicContact CZ-CD2 4.39Å; L775-E777 PolarHBondContact O-N 2.98Å
776	P	72.6	Confident	67.9	Low	62 Å²	62	90.1 Å²	90.1	40%	0.403	50%	0.5	S	S	.	.			trans	-56.7	128.6	173.1	-22.7	32	0	0	0	110.8	P471 M778	P471-P776 HydrophobicContact CB-CG 4.07Å; P776-M778 PolarHBondContact O-N 3.26Å; P776-M778 VanDerWaalsContact O-N 3.1Å
777	E	62.6	Low	65.2	Low	168 Å²	168	93.5 Å²	93.5	79%	0.785	54%	0.535	S	S	*	.			trans	-64.6	113.6	179.2	-172.6	173.3	-132	0	0	109.8	L775 K779	L775-E777 PolarHBondContact O-N 2.98Å; E777-K779 PolarHBondContact O-N 3.29Å
778	M	55.3	Low	62.6	Low	151 Å²	151	103.3 Å²	103.3	74%	0.744	58%	0.581	S	S	*	*			trans	-72.6	80.5	178.7	-71.5	-177.3	63.3	0	0	110	P776 L780	P776-M778 PolarHBondContact O-N 3.26Å; P776-M778 VanDerWaalsContact O-N 3.1Å; M778-L780 PolarHBondContact O-N 2.83Å
779	K	48.5	Very low	60	Low	138 Å²	138	105.1 Å²	105.1	60%	0.6	61%	0.607	S	S	*	*			trans	-53.8	104.7	170.8	-67.3	-167.4	178.5	-174.8	0	108.7	D39 E777	D39-K779 IonicContact OD1-NZ 2.92Å; D39-K779 PolarHBondContact OD1-NZ 2.72Å; D39-K779 IonicContact OD2-NZ 3.91Å; D39-K779 PolarHBondContact OD2-NZ 3.49Å; E777-K779 PolarHBondContact O-N 3.29Å
780	L	47.4	Very low	57.8	Low	132 Å²	132	111.9 Å²	111.9	69%	0.691	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-57.6	139.4	-179.2	-71	172.7	0	0	0	109.7	M778	M778-L780 PolarHBondContact O-N 2.83Å
781	P	46.2	Very low	55.3	Low	107 Å²	107	117.7 Å²	117.7	70%	0.695	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-54.3	134.2	170.9	-24.2	34	0	0	0	109.7	L783	P781-L783 PolarHBondContact O-N 3.48Å; P781-L783 VanDerWaalsContact O-N 3.16Å
782	P	45.4	Very low	52.7	Low	121 Å²	121	116.8 Å²	116.8	79%	0.786	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-59.4	123.9	-178.1	23.8	-33.4	0	0	0	109.8
783	L	44.9	Very low	50.7	Low	154 Å²	154	119.7 Å²	119.7	81%	0.806	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-59.7	135.7	-177.8	-67.8	172.7	0	0	0	110.3	P781 V785	P781-L783 PolarHBondContact O-N 3.48Å; P781-L783 VanDerWaalsContact O-N 3.16Å; L783-V785 PolarHBondContact O-N 3.45Å
784	P	48.4	Very low	48.1	Very low	118 Å²	118	124.9 Å²	124.9	77%	0.766	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-64.8	120	177.1	26.7	-33.3	0	0	0	109.7	P786	P784-P786 WeakPolarHBondContact O-CD 3.26Å
785	V	47.7	Very low	46.5	Very low	140 Å²	140	129.9 Å²	129.9	85%	0.848	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-66	120.9	-175.8	-172.2	0	0	0	0	109.9	L783 G787	L783-V785 PolarHBondContact O-N 3.45Å; V785-G787 PolarHBondContact O-N 3.14Å
786	P	49	Very low	44.5	Very low	124 Å²	124	131 Å²	131	81%	0.805	77%	0.768	S	S	*	*			trans	-85.1	115.8	-175.7	31.7	-32.5	0	0	0	111.8	P784	P784-P786 WeakPolarHBondContact O-CD 3.26Å
787	G	36.7	Very low	42.6	Very low	73 Å²	73	137.4 Å²	137.4	75%	0.753	79%	0.79	S	S	*	*			trans	125.8	93.1	153	0	0	0	0	0	117.5	V785	V785-G787 PolarHBondContact O-N 3.14Å
788	Q	35.1	Very low	41.5	Very low	206 Å²	206	134.8 Å²	134.8	96%	0.963	79%	0.788	S	S	*	*				-150.7	138.2	126.1	-110.7	177.2	8.3	0	0	108.6
789	G	35.2	Very low	40.6	Very low	68 Å²	68	133.7 Å²	133.7	70%	0.701	79%	0.792	S	S	*	*			trans	-109.2	146.4	-167	0	0	0	0	0	114.1
790	L	41.3	Very low	40	Very low	170 Å²	170	136.3 Å²	136.3	89%	0.89	81%	0.806	S	S	*	*			trans	44.1	120.5	148.5	-61.7	168.8	0	0	0	118.9
791	L	32.3	Very low	39.3	Very low	162 Å²	162	132.7 Å²	132.7	85%	0.848	80%	0.801	S	S	*	*				-170.9	136.1	108.8	-100.3	169.2	0	0	0	112.9
792	S	30	Very low	38.8	Very low	109 Å²	109	134 Å²	134	76%	0.762	81%	0.81	S	S	*	*			trans	67.5	152.4	163.3	-62	0	0	0	0	119.8
793	P	43.3	Very low	38.2	Very low	127 Å²	127	137 Å²	137	83%	0.825	81%	0.813	S	S	*	*			trans	-112.7	108	-170.9	36.7	-22.7	0	0	0	113.8
794	T	31.5	Very low	37.6	Very low	132 Å²	132	132.3 Å²	132.3	81%	0.81	80%	0.802	S	S	*	*			trans	-139.2	148.8	163.2	48.9	0	0	0	0	110.4	P796	T794-P796 WeakPolarHBondContact O-CD 3.28Å
795	L	45.9	Very low	37.1	Very low	178 Å²	178	133.2 Å²	133.2	93%	0.932	81%	0.808	S	S	*	*			trans	-90.9	122.8	173.3	-77.7	164.7	0	0	0	110.1
796	P	34.8	Very low	36.4	Very low	111 Å²	111	135.1 Å²	135.1	72%	0.721	81%	0.81	S	S	*	*			trans	-107.1	150	164.6	7.5	14.8	0	0	0	111.7	T794	T794-P796 WeakPolarHBondContact O-CD 3.28Å
797	F	33.3	Very low	35.6	Very low	196 Å²	196	132.6 Å²	132.6	86%	0.86	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-67.7	153.8	167.8	-86.2	-115.8	0	0	0	111.2
798	P	39.7	Very low	35.3	Very low	114 Å²	114	139.8 Å²	139.8	74%	0.74	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-65.6	132.8	170.6	28.3	-34	0	0	0	110.8
799	P	35.3	Very low	35.3	Very low	127 Å²	127	132.8 Å²	132.8	83%	0.825	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-72.1	147.2	177.1	29.9	-34.6	0	0	0	111.5
800	Q	35.9	Very low	35.3	Very low	193 Å²	193	138.3 Å²	138.3	90%	0.902	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-82.1	136.4	171.3	-65.2	-168.3	10.1	0	0	110.8
801	G	33.3	Very low	35	Very low	57 Å²	57	135.7 Å²	135.7	59%	0.588	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-78.1	152	169.5	0	0	0	0	0	112.2
802	P	34.7	Very low	35	Very low	135 Å²	135	139.2 Å²	139.2	88%	0.877	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-64.9	135.3	178.6	-19.2	32.3	0	0	0	112.4
803	Q	32.7	Very low	35.2	Very low	184 Å²	184	139.3 Å²	139.3	86%	0.86	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-81.3	128	171.6	-70.4	-75	-49.2	0	0	110.2
804	G	33.7	Very low	34.9	Very low	55 Å²	55	139.6 Å²	139.6	57%	0.567	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-72.8	159.7	168.3	0	0	0	0	0	112.3	M806	G804-M806 PolarHBondContact O-N 3.27Å
805	P	37.8	Very low	34.9	Very low	136 Å²	136	141.6 Å²	141.6	88%	0.883	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-73.4	116.4	-176.7	29.4	-34	0	0	0	111.8
806	M	33.2	Very low	34.2	Very low	181 Å²	181	141.8 Å²	141.8	89%	0.892	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-83	140.8	169.4	-84.8	-70.7	-177.3	0	0	111.7	G804	G804-M806 PolarHBondContact O-N 3.27Å
807	G	31.4	Very low	34	Very low	71 Å²	71	139.8 Å²	139.8	73%	0.732	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.2	169.1	176.5	0	0	0	0	0	114.1
808	F	30.6	Very low	33.8	Very low	223 Å²	223	142.2 Å²	142.2	98%	0.978	81%	0.811	S	S	*	*	S	Bend	trans	-70.1	149.9	-177.2	-84.2	-118.8	0	0	0	113.1
809	G	34.6	Very low	33.2	Very low	60 Å²	60	140.6 Å²	140.6	62%	0.619	82%	0.815	S	S	*	*			trans	132.6	37.3	139.3	0	0	0	0	0	121.2
810	Q	35.1	Very low	33	Very low	184 Å²	184	138.4 Å²	138.4	86%	0.86	82%	0.816	S	S	*	*			trans	-147.3	152.1	155.4	-81.5	-52.4	-65.8	0	0	112
811	P	34.9	Very low	32.7	Very low	114 Å²	114	133.8 Å²	133.8	74%	0.74	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-81.3	162.9	-175.6	33.3	-35	0	0	0	114.2
812	R	33.4	Very low	33	Very low	236 Å²	236	137 Å²	137	89%	0.891	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-102.9	128.9	-167.4	-170.1	-179.1	-167	162.3	3.8	112.5
813	P	33.1	Very low	33.2	Very low	112 Å²	112	136.5 Å²	136.5	73%	0.727	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-68	145.2	172.4	-19.8	32.7	0	0	0	112.6
814	P	37.8	Very low	33.1	Very low	132 Å²	132	138.5 Å²	138.5	86%	0.857	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-72.1	142.4	174.7	-16.6	31.4	0	0	0	112.9
815	L	31.9	Very low	33.4	Very low	174 Å²	174	141.2 Å²	141.2	91%	0.911	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-91.5	122.9	172.9	-177.6	66.9	0	0	0	110
816	M	30.1	Very low	33.2	Very low	182 Å²	182	140.5 Å²	140.5	90%	0.897	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-86	129.6	-179.3	-163.9	171.5	-171.1	0	0	111.8
817	G	31.5	Very low	32.9	Very low	70 Å²	70	138.9 Å²	138.9	72%	0.722	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-82.1	161.9	177.7	0	0	0	0	0	113.8
818	Y	28.6	Very low	32.8	Very low	247 Å²	247	142.6 Å²	142.6	97%	0.969	82%	0.815	S	S	*	*			trans	-104.4	138.3	-174.4	-133.9	-96.2	0	0	0	112
819	G	28.6	Very low	32.7	Very low	79 Å²	79	141.5 Å²	141.5	81%	0.814	81%	0.81	S	S	*	*			trans	119.7	135.4	160.3	0	0	0	0	0	116.7
820	G	29.4	Very low	32.4	Very low	82 Å²	82	142.3 Å²	142.3	85%	0.845	82%	0.818	S	S	*	*			trans	137.8	125.7	172.5	0	0	0	0	0	113.4
821	A	30.6	Very low	32.1	Very low	96 Å²	96	137.6 Å²	137.6	79%	0.793	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-95.4	155	175.2	0	0	0	0	0	111.6
822	P	38.9	Very low	31.7	Very low	125 Å²	125	135.6 Å²	135.6	81%	0.812	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-96.9	146.2	-165.4	36.2	-35.3	0	0	0	115.4
823	P	38.9	Very low	31.4	Very low	123 Å²	123	136.9 Å²	136.9	80%	0.799	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-103.4	164.9	150.8	35.7	-28.3	0	0	0	112.2
824	Y	30.7	Very low	31.2	Very low	227 Å²	227	135.5 Å²	135.5	89%	0.89	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-76.5	159.7	-178.4	-94.7	-111.6	0	0	0	113.8
825	P	39.2	Very low	30.7	Very low	112 Å²	112	135.4 Å²	135.4	73%	0.727	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-92.8	158.9	-174.9	37.2	-36.2	0	0	0	114.2
826	P	34.8	Very low	30.5	Very low	120 Å²	120	136.8 Å²	136.8	78%	0.779	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-101.3	138.7	155.1	34.9	-27.1	0	0	0	112
827	N	27	Very low	30.5	Very low	148 Å²	148	133.6 Å²	133.6	79%	0.791	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-70.6	168.7	155.7	-82.4	-18	0	0	0	110
828	Q	29.7	Very low	30.4	Very low	148 Å²	148	136.7 Å²	136.7	69%	0.692	80%	0.804	S	S	*	*				148.6	119.4	112.8	-158.7	74.2	9.6	0	0	113.3
829	F	28.5	Very low	30.4	Very low	200 Å²	200	132.9 Å²	132.9	88%	0.877	79%	0.792	S	S	*	*			trans	64.7	157.4	152.9	-94.6	-125.5	0	0	0	122.1
830	G	26.6	Very low	30.5	Very low	77 Å²	77	140.3 Å²	140.3	79%	0.794	80%	0.796	S	S	*	*			trans	120.6	89	148.5	0	0	0	0	0	115.7
831	G	29	Very low	30.4	Very low	86 Å²	86	140.2 Å²	140.2	89%	0.887	80%	0.795	S	S	*	*			trans	-102	175.6	177.1	0	0	0	0	0	114.8
832	G	26.8	Very low	30.5	Very low	71 Å²	71	138.8 Å²	138.8	73%	0.732	79%	0.789	S	S	*	*			trans	118.2	114.4	145.9	0	0	0	0	0	119
833	R	28.2	Very low	30.2	Very low	264 Å²	264	142.9 Å²	142.9	100%	0.996	80%	0.798	S	S	*	*			trans	65.9	151.8	153.5	-52.3	-179.6	-176.2	-102.2	4.1	118.3
834	G	27.7	Very low	29.7	Very low	83 Å²	83	140.9 Å²	140.9	86%	0.856	80%	0.799	S	S	*	*			trans	153.4	87.7	162.8	0	0	0	0	0	115.1
835	N	27.3	Very low	29.6	Very low	129 Å²	129	133.5 Å²	133.5	69%	0.69	79%	0.793	S	S	*	*			trans	-93.3	136.9	171.6	-178.2	86.3	0	0	0	110.4
836	Y	28.1	Very low	29.1	Very low	203 Å²	203	139 Å²	139	80%	0.796	80%	0.801	S	S	*	*				-179.7	154.1	129.3	-114.3	-78.2	0	0	0	115.2
837	D	31.1	Very low	29.1	Very low	115 Å²	115	141.6 Å²	141.6	62%	0.615	81%	0.807	S	S	*	*			trans	-64.2	159.7	170.9	-44.7	-108.8	0	0	0	114.2
838	N	28.7	Very low	29.2	Very low	136 Å²	136	138.2 Å²	138.2	73%	0.727	81%	0.807	S	S	*	*				178.6	133.5	92.8	-118.7	-30.6	0	0	0	117.9
839	F	27.8	Very low	29.3	Very low	166 Å²	166	141 Å²	141	73%	0.728	82%	0.817	S	S	*	*			trans	58.1	139.5	131.9	-105.4	-124.2	0	0	0	126.1
840	R	30.7	Very low	30.2	Very low	236 Å²	236	136.7 Å²	136.7	89%	0.891	81%	0.809	S	S	*	*			trans	65.9	142.6	159.4	-73.7	171.9	179.7	-167.7	0	118
841	G	28.7	Very low	30.4	Very low	80 Å²	80	143.7 Å²	143.7	83%	0.825	81%	0.811	S	S	*	*			cis	158	164.5	-2.9	0	0	0	0	0	110.3
842	G	31.4	Very low	30.4	Very low	65 Å²	65	145.7 Å²	145.7	67%	0.67	80%	0.801	S	S	*	*			cis	167	167	-4.5	0	0	0	0	0	111.5
843	Q	32.4	Very low	30.6	Very low	211 Å²	211	148.9 Å²	148.9	99%	0.986	80%	0.8	S	S	*	*			trans	65.2	156	175.6	-55.8	172.6	-64.7	0	0	115.6
844	G	29	Very low	30.5	Very low	81 Å²	81	146.5 Å²	146.5	84%	0.835	79%	0.791	S	S	*	*			cis	160.2	158.7	-4.7	0	0	0	0	0	109.2
845	G	29.3	Very low	30.6	Very low	73 Å²	73	150.5 Å²	150.5	75%	0.753	79%	0.79	S	S	*	*			cis	172.1	162	-10.3	0	0	0	0	0	112.7
846	Y	29.3	Very low	31.1	Very low	228 Å²	228	150 Å²	150	89%	0.894	80%	0.797	S	S	*	*			trans	69.1	141.9	151.9	-89.2	-81	0	0	0	125.6
847	L	33.6	Very low	31.2	Very low	174 Å²	174	152.6 Å²	152.6	91%	0.911	81%	0.805	S	S	*	*			trans	88.5	131.7	152.6	-67.9	162.2	0	0	0	122.4
848	G	28.6	Very low	31.1	Very low	77 Å²	77	150.4 Å²	150.4	79%	0.794	81%	0.81	S	S	*	*			trans	153.5	126.7	164.5	0	0	0	0	0	116.6
849	K	31.9	Very low	31.5	Very low	207 Å²	207	151.3 Å²	151.3	90%	0.9	81%	0.814	S	S	*	*			trans	-159.5	168.5	177.2	-98.8	-178.8	-178.7	178.1	0	108.1
850	P	48.7	Very low	32.4	Very low	108 Å²	108	147.7 Å²	147.7	70%	0.701	81%	0.807	S	S	*	*			cis	-140.8	-170.5	-18.1	40.3	-20.7	0	0	0	115.6
851	R	30.6	Very low	32.9	Very low	224 Å²	224	147.1 Å²	147.1	85%	0.845	81%	0.805	S	S	*	*			trans	76.5	117.8	147.3	-86.5	179.1	175.6	164.4	-1.4	123.9
852	N	29.8	Very low	33.4	Very low	128 Å²	128	150.2 Å²	150.2	68%	0.684	80%	0.803	S	S	*	*				77.2	129.2	125.5	-79.3	13.1	0	0	0	125.9
853	I	29.1	Very low	33.8	Very low	138 Å²	138	154.7 Å²	154.7	71%	0.708	81%	0.81	S	S	*	*				90.6	107	129.9	-72.4	171.9	0	0	0	121.8
854	R	27.8	Very low	34.2	Very low	214 Å²	214	151.4 Å²	151.4	81%	0.808	80%	0.797	S	S	*	*				71.5	154.8	128.4	-157.9	-167.6	-84.6	-175.7	-7.2	121.3
855	M	28.2	Very low	34.8	Very low	168 Å²	168	156 Å²	156	83%	0.828	80%	0.797	S	S	*	*			trans	98.8	134.7	163.6	-98.2	86.6	172.1	0	0	118.5
856	S	38.1	Very low	35.6	Very low	119 Å²	119	163.1 Å²	163.1	83%	0.832	80%	0.803	S	S	*	*			trans	-98.4	153.9	-173.5	-37.4	0	0	0	0	113.3
857	R	31.7	Very low	36.7	Very low	257 Å²	257	159 Å²	159	97%	0.97	79%	0.786	S	S	*	*			trans	-172.5	141.2	156.8	-101.6	167.9	-176.3	-177.7	0.3	107.7
858	G	28.7	Very low	37.8	Very low	69 Å²	69	157.3 Å²	157.3	71%	0.711	78%	0.778	S	S	*	*			cis	153	113.9	-10.8	0	0	0	0	0	112.6
859	D	36.7	Very low	39	Very low	155 Å²	155	162 Å²	162	83%	0.829	78%	0.783	S	S	*	*			trans	65.3	172.4	163.3	-125.5	30.4	0	0	0	117.2
860	P	46.1	Very low	40.5	Very low	89 Å²	89	159.8 Å²	159.8	58%	0.578	78%	0.782	S	S	*	*			cis	-134	152.3	-2	40.2	-23.6	0	0	0	118
861	R	41.6	Very low	41.1	Very low	224 Å²	224	156.8 Å²	156.8	85%	0.845	77%	0.766	S	S	*	*				165.9	104.9	119.8	-88.3	161.1	-165.1	-179.8	6.1	114
862	N	38.2	Very low	42.5	Very low	145 Å²	145	151.1 Å²	151.1	78%	0.775	76%	0.758	S	S	*	*			trans	29.6	115.7	147.5	-57.7	33	0	0	0	119.8
863	I	40.8	Very low	43.6	Very low	159 Å²	159	151 Å²	151	82%	0.815	76%	0.758	S	S	*	*			trans	-69.2	146.6	150.3	-64.8	165.3	0	0	0	108.4
864	I	40.6	Very low	44.3	Very low	142 Å²	142	152 Å²	152	73%	0.728	76%	0.764	S	S	*	*			trans	-100.9	107.4	172.8	-59.6	174.2	0	0	0	107.9	Y866	I864-Y866 HydrophobicContact CG2-CD2 4.39Å; I864-Y866 HydrophobicContact CG2-CE2 4.46Å
865	E	41.3	Very low	45.1	Very low	179 Å²	179	149.4 Å²	149.4	84%	0.836	76%	0.763	S	S	*	*			trans	-83.8	134.1	166.3	-67.1	179.7	148.2	0	0	109.2
866	Y	47.3	Very low	45.8	Very low	221 Å²	221	148.2 Å²	148.2	87%	0.867	76%	0.76	S	S	*	*			trans	-91.2	122.1	167.4	-102.1	-98	0	0	0	108.5	I864	I864-Y866 HydrophobicContact CG2-CD2 4.39Å; I864-Y866 HydrophobicContact CG2-CE2 4.46Å
867	R	52	Low	45.9	Very low	142 Å²	142	151.1 Å²	151.1	54%	0.536	76%	0.759	S	S	.	*			trans	-107.3	130.8	170.9	177.9	169.8	171.4	-175.1	-10.9	108.4	A871 P872 D873	R867-A871 PolarHBondContact NH2-O 2.94Å; R867-P872 PolarHBondContact NH2-O 3.01Å; R867-D873 IonicContact CZ-OD1 2.81Å; R867-D873 VanDerWaalsContact CZ-OD1 3.24Å; R867-D873 IonicContact NH1-OD1 2.79Å; R867-D873 PolarHBondContact NH1-OD1 2.85Å; R867-D873 IonicContact NH2-OD1 3.81Å; R867-D873 PolarHBondContact NH2-OD1 2.94Å
868	D	56	Low	46.3	Very low	138 Å²	138	152.4 Å²	152.4	74%	0.738	77%	0.772	S	S	*	*			trans	-65.6	141.3	179.1	-71.7	-48.2	0	0	0	111.5	D870 A871	D868-D870 PolarHBondContact O-N 3.45Å; D868-A871 PolarHBondContact O-N 3.36Å
869	L	53.2	Low	47.1	Very low	175 Å²	175	156.6 Å²	156.6	92%	0.916	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-14.8	-168.5	-77.1	164.1	0	0	0	114.6
870	D	63.3	Low	47.7	Very low	161 Å²	161	156.7 Å²	156.7	86%	0.861	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	5.7	-179	-61.5	-56	0	0	0	113.3	D868 P872	D868-D870 PolarHBondContact O-N 3.45Å; D870-P872 WeakPolarHBondContact O-CD 3.1Å
871	A	62.3	Low	47.8	Very low	46 Å²	46	160.4 Å²	160.4	38%	0.38	78%	0.783	S	S	.	*			trans	-80.6	113.9	-178.9	0	0	0	0	0	111.9	R867 D868	R867-A871 PolarHBondContact NH2-O 2.94Å; D868-A871 PolarHBondContact O-N 3.36Å
872	P	61.1	Low	48.2	Very low	105 Å²	105	156.7 Å²	156.7	68%	0.682	78%	0.779	S	S	*	*			trans	-63.3	155.9	-177.8	27.6	-35.4	0	0	0	112.7	R867 D870 D874	R867-P872 PolarHBondContact NH2-O 3.01Å; D870-P872 WeakPolarHBondContact O-CD 3.1Å; P872-D874 PolarHBondContact O-N 2.97Å
873	D	51.4	Low	48.8	Very low	125 Å²	125	157.4 Å²	157.4	67%	0.668	78%	0.779	S	S	*	*			trans	-80.6	95.1	-179.5	-84.7	-42.3	0	0	0	112.5	R867 M875	R867-D873 IonicContact CZ-OD1 2.81Å; R867-D873 VanDerWaalsContact CZ-OD1 3.24Å; R867-D873 IonicContact NH1-OD1 2.79Å; R867-D873 PolarHBondContact NH1-OD1 2.85Å; R867-D873 IonicContact NH2-OD1 3.81Å; R867-D873 PolarHBondContact NH2-OD1 2.94Å; D873-M875 PolarHBondContact O-N 3.42Å
874	D	43.3	Very low	49.3	Very low	159 Å²	159	157.3 Å²	157.3	85%	0.85	78%	0.777	S	S	*	*			trans	-70.7	77.4	163.7	-75.5	-26.4	0	0	0	110.4	P872	P872-D874 PolarHBondContact O-N 2.97Å
875	M	45.8	Very low	49.9	Very low	159 Å²	159	158.4 Å²	158.4	78%	0.783	78%	0.78	S	S	*	*			trans	-127.1	56.8	170.3	-101.3	-57.9	-33.4	0	0	111.1	D873	D873-M875 PolarHBondContact O-N 3.42Å
876	D	43.3	Very low	50.6	Low	143 Å²	143	156.8 Å²	156.8	77%	0.765	78%	0.776	S	S	*	*			trans	-146.3	146.9	167.6	-118.3	-31.8	0	0	0	111.2
877	F	38.8	Very low	50.9	Low	181 Å²	181	151.5 Å²	151.5	79%	0.794	77%	0.768	S	S	*	*			trans	69.2	84.7	-179.9	-63	-80.7	0	0	0	119.6
878	F	40.1	Very low	50.8	Low	284 Å²	284	152.4 Å²	152.4	100%	1.246	79%	0.789	S	S	*	*				22.2	0	124.2	-80.2	-84.5	0	0	0	120.1

Retrieved 878 of 878 residues in 693.7 ms (Link to these results)

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