A0A087YEI3_POEFO Loading...

Dynein 2 intermediate chain 1

AlphaFold DB , UniProt , Accession A0A087YEI3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,030 aa.

						>A0A087YEI3_POEFO|A0A087YEI3
MHSDKKLTKEDTWRPAELRRHLREKDYGDGYSRRREDNERKHRGGESVERRHRDPEESRRDRDELKERERRHGDSRDRHAERRKDGSRDRRGDKDRERRDDEDRRKRVVDGRDIRDRHKHKEKEELKVREEVRDNRREERLKERREELERELRRERRRHDERGEAGRDQAEKLHRELRDRQHRGEYEDKRRDKDVQEERRRSERIEDGARKGDHRRLKEEGERRHKERRQHDEKQKHKSESKERQDLKKSDSDVRSSDADRDRTEREKHKVRHKKEEDSADGRHKDRRHREAEEKDVKRSSSKKSSSDKRKEEKKDEKEQQQRADGQQREDRIENADMAEQEYEEDFEDYEEDFEDMHESADEGEDDDEGEDNDGEEVQTAEQSKEIEAIRRAMAEENERVGTAQSRSSTAREEEQNRPKWSKGSERNESKTSRHGKFINFVAAKQREISKKVATKQMKRSTELLRLIDLDFSMTFSLLDIPPVSEYEMYIKSFGNANTQQAYVQCNEDNADRYVQTEEVEICEKWTQHPPEYNGACGDPNFSQDAQDKSRTDLLLDSQCLMSFVRSASQVMVVLLEEDQAERKSLRKPKTKTDSLSFSDGSLQLNTKLPFLLGRQISLVQFSQVQKHIMLSVHMPTSKASTAGLDGCTVICVWNIWEPSRPQKILIYESEVQCCCFSPGKSTLVFAGTQVGSVVLWDLREYASNHYRLKIGDHEWTLRHPTFSTDAVMSGSGHVSPVTSVEVVPSFVAGGLRPEVALLASEEESSGLSFQLASLDENGILNFWVVVELPRGNEAGSPTDLGLRPGGRVKLLHSSSLLTVQRPLLKEAAKTRPSQTLLLKYHPTDSNHFFIGTNLGLVRHGTSHGLKAPPQFYRSQEMEERTVDINSIHFSPFRPNLFLVGCADGSIRMHAVSHDQPVAEWMNGTGGEAVVSLQWTQTRPAVFCVLDAASNLHIWDMLKDDGQPVMTETFRDDRVTAMAAFGDSGQQNTYSGIALAHKSGNIELQYFTPSLTLPNPAEEGKLESIMTEAF
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	39.8	Very low	236 Å²	236	165.7 Å²	165.7	100%	1.163	82%	0.82	S	S	*	*				0	106.1	0	-80	-177	170.1	0	0	110
2	H	31.5	Very low	40.8	Very low	197 Å²	197	162.4 Å²	162.4	91%	0.912	82%	0.816	S	S	*	*			trans	-161.6	156.9	133.5	-104.4	34.5	0	0	0	107.4
3	S	35.2	Very low	41.6	Very low	100 Å²	100	161.5 Å²	161.5	70%	0.699	80%	0.797	S	S	*	*			trans	-88.5	134	-156.6	54.9	0	0	0	0	114.1	K5	S3-K5 PolarHBondContact O-N 2.94Å
4	D	42	Very low	43.3	Very low	164 Å²	164	163.1 Å²	163.1	88%	0.877	79%	0.79	S	S	*	*			trans	-58.1	130.7	164.1	-60.1	-68.1	0	0	0	111.4
5	K	39.3	Very low	43.6	Very low	177 Å²	177	158.5 Å²	158.5	77%	0.77	78%	0.778	S	S	*	*			trans	-121.2	121.9	158.4	-75.1	-172.1	175.7	-176.6	0	107.2	S3 L7	S3-K5 PolarHBondContact O-N 2.94Å; K5-L7 PolarHBondContact O-N 2.68Å
6	K	40.1	Very low	44	Very low	206 Å²	206	153.4 Å²	153.4	90%	0.896	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-67.3	118.5	174.3	-63	-177.2	178.2	-175.9	0	108.4
7	L	37.6	Very low	44.6	Very low	135 Å²	135	150.1 Å²	150.1	71%	0.707	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-70.5	146.5	167.9	-72	80	0	0	0	108.9	K5 D11	K5-L7 PolarHBondContact O-N 2.68Å; L7-D11 HydrophobicContact CD2-CB 3.89Å
8	T	49.1	Very low	45	Very low	106 Å²	106	146.9 Å²	146.9	65%	0.65	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-100.7	171.2	173.5	51	0	0	0	0	110.7	E10 D11	T8-E10 PolarHBondContact O-N 2.71Å; T8-D11 PolarHBondContact O-N 3.47Å
9	K	38.1	Very low	45.8	Very low	220 Å²	220	148 Å²	148	96%	0.957	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	17.3	-167.4	-151	177.3	-179.8	178.7	0	115.6
10	E	40.6	Very low	46	Very low	172 Å²	172	149.8 Å²	149.8	80%	0.804	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	-16.3	-177.1	-63.2	-175.6	169.8	0	0	113.3	T8 T12	T8-E10 PolarHBondContact O-N 2.71Å; E10-T12 PolarHBondContact O-N 3.42Å
11	D	46	Very low	46.4	Very low	110 Å²	110	147.4 Å²	147.4	59%	0.588	72%	0.716	S	S	*	*			trans	-74.4	81.7	178.6	-83.2	-39.6	0	0	0	112.1	L7 T8	L7-D11 HydrophobicContact CD2-CB 3.89Å; T8-D11 PolarHBondContact O-N 3.47Å
12	T	51.9	Low	47	Very low	126 Å²	126	141.1 Å²	141.1	77%	0.773	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-93	131.2	170.2	-49.7	0	0	0	0	110.3	E10 R14	E10-T12 PolarHBondContact O-N 3.42Å; T12-R14 PolarHBondContact O-N 2.6Å
13	W	51.2	Low	47.8	Very low	150 Å²	150	139.4 Å²	139.4	57%	0.568	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-55	131.4	-178.2	-75.2	58.1	0	0	0	112	E17 H21	W13-E17 HydrophobicContact CE3-CB 4.07Å; W13-H21 AromaticContact CH2-CD2 3.57Å; W13-H21 HydrophobicContact CZ3-CB 3.97Å; W13-H21 AromaticContact CZ3-CD2 3.9Å
14	R	65.7	Low	48	Very low	184 Å²	184	140.2 Å²	140.2	69%	0.694	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-73.8	146.9	177.4	-59.3	-176.4	173.3	-143.5	-4.1	109.8	T12 A16 E17 L18	T12-R14 PolarHBondContact O-N 2.6Å; R14-A16 PolarHBondContact O-N 3.15Å; R14-E17 VanDerWaalsContact CB-OE2 3.26Å; R14-E17 WeakPolarHBondContact CB-OE2 3.28Å; R14-E17 PolarHBondContact N-OE2 2.78Å; R14-E17 WeakPolarHBondContact O-CB 3.34Å; R14-E17 PolarHBondContact O-N 2.99Å; R14-L18 PolarHBondContact O-N 3.47Å
15	P	47.7	Very low	47.9	Very low	95 Å²	95	140.4 Å²	140.4	62%	0.617	66%	0.658	S	S	*	*	H	α-helix	trans	-56.2	-25.5	-177.3	-29.2	36	0	0	0	115.2	R19	P15-R19 VanDerWaalsContact O-CB 3.25Å; P15-R19 WeakPolarHBondContact O-CB 3.49Å; P15-R19 WeakPolarHBondContact O-CD 3.33Å; P15-R19 WeakPolarHBondContact O-CG 3.37Å; P15-R19 PolarHBondContact O-N 3.33Å
16	A	49.8	Very low	47.9	Very low	77 Å²	77	138.3 Å²	138.3	64%	0.636	66%	0.655	S	S	*	*	H	α-helix	trans	-71.4	-34.3	174.6	0	0	0	0	0	113.4	R14 R20	R14-A16 PolarHBondContact O-N 3.15Å; A16-R20 PolarHBondContact O-N 3.22Å
17	E	54.6	Low	47.9	Very low	97 Å²	97	138.5 Å²	138.5	45%	0.453	65%	0.652	S	S	.	*	H	α-helix	trans	-76.6	-43.8	-179.4	-67.3	152.9	172	0	0	110.1	W13 R14 R19 R20 H21	W13-E17 HydrophobicContact CE3-CB 4.07Å; R14-E17 VanDerWaalsContact CB-OE2 3.26Å; R14-E17 WeakPolarHBondContact CB-OE2 3.28Å; R14-E17 PolarHBondContact N-OE2 2.78Å; R14-E17 WeakPolarHBondContact O-CB 3.34Å; R14-E17 PolarHBondContact O-N 2.99Å; E17-R19 VanDerWaalsContact C-N 3.31Å; E17-R19 PolarHBondContact O-N 3.1Å; E17-R20 WeakPolarHBondContact O-CA 3.38Å; E17-R20 VanDerWaalsContact O-CB 3.29Å; E17-R20 WeakPolarHBondContact O-CB 3.44Å; E17-R20 PolarHBondContact O-N 2.87Å; E17-H21 PolarHBondContact O-N 2.83Å
18	L	50.6	Low	47.7	Very low	92 Å²	92	135.1 Å²	135.1	48%	0.482	65%	0.649	S	S	.	*	H	α-helix	trans	-58.1	-43.9	172.6	-161.8	77.3	0	0	0	111.4	R14 R20 H21 L22	R14-L18 PolarHBondContact O-N 3.47Å; L18-R20 PolarHBondContact O-N 2.81Å; L18-H21 PolarHBondContact O-N 3.18Å; L18-L22 HydrophobicContact CG-CD1 4.24Å; L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 WeakPolarHBondContact O-CG 3.5Å; L18-L22 PolarHBondContact O-N 2.59Å
19	R	60.9	Low	46.9	Very low	168 Å²	168	138 Å²	138	63%	0.634	66%	0.66	S	S	*	*	H	α-helix	trans	-69.8	-7.7	174.5	-76.2	174.9	173.8	-179.9	-1.2	114.6	P15 E17 R23	P15-R19 VanDerWaalsContact O-CB 3.25Å; P15-R19 WeakPolarHBondContact O-CB 3.49Å; P15-R19 WeakPolarHBondContact O-CD 3.33Å; P15-R19 WeakPolarHBondContact O-CG 3.37Å; P15-R19 PolarHBondContact O-N 3.33Å; E17-R19 VanDerWaalsContact C-N 3.31Å; E17-R19 PolarHBondContact O-N 3.1Å; R19-R23 PolarHBondContact O-NE 3.04Å; R19-R23 PolarHBondContact O-NH2 2.84Å
20	R	50.8	Low	46.6	Very low	183 Å²	183	130.4 Å²	130.4	69%	0.691	65%	0.645	S	S	*	*	H	α-helix	trans	-90.5	-51.9	170.5	-166.8	-179	-164.5	158.1	5.5	109.7	A16 E17 L18 L22 R23 E24	A16-R20 PolarHBondContact O-N 3.22Å; E17-R20 WeakPolarHBondContact O-CA 3.38Å; E17-R20 VanDerWaalsContact O-CB 3.29Å; E17-R20 WeakPolarHBondContact O-CB 3.44Å; E17-R20 PolarHBondContact O-N 2.87Å; L18-R20 PolarHBondContact O-N 2.81Å; R20-L22 PolarHBondContact O-N 2.74Å; R20-R23 WeakPolarHBondContact O-CB 3.39Å; R20-R23 PolarHBondContact O-N 3.2Å; R20-E24 PolarHBondContact O-N 2.77Å
21	H	52.6	Low	46.1	Very low	101 Å²	101	132.9 Å²	132.9	47%	0.468	65%	0.649	S	S	.	*	H	α-helix	trans	-69.9	-32.8	-173.5	-146.4	40.8	0	0	0	113.4	W13 E17 L18 R23 E24	W13-H21 AromaticContact CH2-CD2 3.57Å; W13-H21 HydrophobicContact CZ3-CB 3.97Å; W13-H21 AromaticContact CZ3-CD2 3.9Å; E17-H21 PolarHBondContact O-N 2.83Å; L18-H21 PolarHBondContact O-N 3.18Å; H21-R23 VanDerWaalsContact C-N 3.27Å; H21-R23 PolarHBondContact O-N 3.47Å; H21-E24 IonicContact CE1-OE2 3.85Å; H21-E24 IonicContact CG-OE2 3.36Å; H21-E24 IonicContact ND1-OE2 3.22Å; H21-E24 PolarHBondContact ND1-OE2 2.99Å; H21-E24 PolarHBondContact O-N 2.76Å
22	L	51.6	Low	45.3	Very low	104 Å²	104	133 Å²	133	55%	0.545	66%	0.658	S	S	.	*	H	α-helix	trans	-59.8	-37.3	169.3	-75	167.1	0	0	0	112.2	L18 R20 E24 K25	L18-L22 HydrophobicContact CG-CD1 4.24Å; L18-L22 WeakPolarHBondContact O-CB 3.45Å; L18-L22 WeakPolarHBondContact O-CG 3.5Å; L18-L22 PolarHBondContact O-N 2.59Å; R20-L22 PolarHBondContact O-N 2.74Å; L22-E24 VanDerWaalsContact C-N 3.31Å; L22-E24 PolarHBondContact O-N 3.31Å; L22-K25 PolarHBondContact O-N 3.43Å
23	R	48.3	Very low	44.3	Very low	160 Å²	160	138.3 Å²	138.3	60%	0.604	66%	0.664	S	S	*	*	H	α-helix	trans	-75.9	-15.4	178.8	-103	178.6	-72.6	-139.8	-1.4	114.4	R19 R20 H21	R19-R23 PolarHBondContact O-NE 3.04Å; R19-R23 PolarHBondContact O-NH2 2.84Å; R20-R23 WeakPolarHBondContact O-CB 3.39Å; R20-R23 PolarHBondContact O-N 3.2Å; H21-R23 VanDerWaalsContact C-N 3.27Å; H21-R23 PolarHBondContact O-N 3.47Å
24	E	39.7	Very low	43.1	Very low	117 Å²	117	142.3 Å²	142.3	55%	0.547	68%	0.679	S	S	.	*	H	α-helix	trans	-80.3	-23.5	172.8	-70.1	171.2	143.3	0	0	111.6	R20 H21 L22	R20-E24 PolarHBondContact O-N 2.77Å; H21-E24 IonicContact CE1-OE2 3.85Å; H21-E24 IonicContact CG-OE2 3.36Å; H21-E24 IonicContact ND1-OE2 3.22Å; H21-E24 PolarHBondContact ND1-OE2 2.99Å; H21-E24 PolarHBondContact O-N 2.76Å; L22-E24 VanDerWaalsContact C-N 3.31Å; L22-E24 PolarHBondContact O-N 3.31Å
25	K	40.6	Very low	41.2	Very low	168 Å²	168	142 Å²	142	73%	0.73	68%	0.678	S	S	*	*	H	α-helix	trans	-78.4	-29.5	175.9	-77.9	-169.7	170.8	-175.1	0	114.3	L22 Y27 G28	L22-K25 PolarHBondContact O-N 3.43Å; K25-Y27 PolarHBondContact O-N 3.38Å; K25-Y27 VanDerWaalsContact O-N 3.12Å; K25-G28 PolarHBondContact O-N 3.17Å; K25-G28 VanDerWaalsContact O-N 3.13Å
26	D	38.8	Very low	40.2	Very low	133 Å²	133	143.9 Å²	143.9	71%	0.711	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-9.3	-176.2	-71.3	-25.7	0	0	0	114.9
27	Y	39.2	Very low	39.1	Very low	211 Å²	211	146.1 Å²	146.1	83%	0.827	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	11.5	176.2	-70.8	-87.2	0	0	0	113.1	K25	K25-Y27 PolarHBondContact O-N 3.38Å; K25-Y27 VanDerWaalsContact O-N 3.12Å
28	G	35	Very low	37.9	Very low	63 Å²	63	147.6 Å²	147.6	65%	0.649	69%	0.69	S	S	*	*	S	Bend	trans	-95.8	-7.9	-160.5	0	0	0	0	0	118.8	K25	K25-G28 PolarHBondContact O-N 3.17Å; K25-G28 VanDerWaalsContact O-N 3.13Å
29	D	31.5	Very low	36.9	Very low	166 Å²	166	148.7 Å²	148.7	89%	0.888	69%	0.693	S	S	*	*			trans	-150.2	146.8	172.4	-161.6	0.6	0	0	0	112.1
30	G	31.4	Very low	35.3	Very low	62 Å²	62	149.3 Å²	149.3	64%	0.639	70%	0.695	S	S	*	*			trans	158.9	59.4	-177.5	0	0	0	0	0	116.2
31	Y	29.6	Very low	34.3	Very low	224 Å²	224	148.1 Å²	148.1	88%	0.878	70%	0.695	S	S	*	*			trans	-137.1	145.3	164.2	-102.7	-79.6	0	0	0	115.3
32	S	29	Very low	33.2	Very low	111 Å²	111	151.2 Å²	151.2	78%	0.776	71%	0.71	S	S	*	*			trans	72.5	80.7	158	-59.2	0	0	0	0	119.8
33	R	31.7	Very low	32	Very low	239 Å²	239	158 Å²	158	90%	0.902	73%	0.728	S	S	*	*			trans	-60.9	145.4	148.9	-63	169.7	170.9	166.1	-5.3	111.3
34	R	26.5	Very low	30.9	Very low	233 Å²	233	154.1 Å²	154.1	88%	0.879	74%	0.738	S	S	*	*			trans	166.2	150	143.5	-97.5	168.2	-177.3	-166.2	2.4	110
35	R	26.4	Very low	30.2	Very low	179 Å²	179	152.2 Å²	152.2	68%	0.675	75%	0.749	S	S	*	*			cis	-172	145.1	-13	-151.8	-175.6	169.5	-157.8	-23	108
36	E	26.4	Very low	29.6	Very low	133 Å²	133	153 Å²	153	62%	0.621	76%	0.755	S	S	*	*			trans	55.1	156.2	149.6	-79.7	156.3	-157.8	0	0	119.7
37	D	27	Very low	29.1	Very low	125 Å²	125	151.4 Å²	151.4	67%	0.668	76%	0.755	S	S	*	*			cis	-168.4	160.6	-32	-148.9	2.8	0	0	0	108.4
38	N	28.3	Very low	28.6	Very low	127 Å²	127	147.6 Å²	147.6	68%	0.679	75%	0.753	S	S	*	*			trans	64.2	161.7	156.5	-74.2	-50.9	0	0	0	118.8
39	E	29.3	Very low	28.2	Very low	115 Å²	115	150.9 Å²	150.9	54%	0.537	75%	0.751	S	S	.	*			cis	-157.7	154.9	-0.6	-129.2	-165.8	153.7	0	0	112.7
40	R	28.4	Very low	28	Very low	182 Å²	182	152.4 Å²	152.4	69%	0.687	74%	0.744	S	S	*	*			trans	68	155.8	148.1	-67.5	176.5	-173.2	162.8	23.1	120.9
41	K	28.3	Very low	27.8	Very low	158 Å²	158	160.4 Å²	160.4	69%	0.687	76%	0.755	S	S	*	*			cis	-168.4	134.5	-27.5	-112.6	174.9	-170	166.1	0	111.9
42	H	29.4	Very low	27.8	Very low	166 Å²	166	158 Å²	158	77%	0.769	75%	0.752	S	S	*	*			trans	53.8	150.3	139.7	-76.1	-48.6	0	0	0	125.8
43	R	27.3	Very low	27.7	Very low	247 Å²	247	162.9 Å²	162.9	93%	0.932	75%	0.753	S	S	*	*			trans	79.6	136.6	162.2	-67.9	170	178.1	179.3	-2.7	117.2
44	G	24.9	Very low	27.5	Very low	78 Å²	78	158.9 Å²	158.9	80%	0.804	75%	0.75	S	S	*	*			cis	150.8	138	-13.9	0	0	0	0	0	114.9
45	G	25.6	Very low	27.9	Very low	76 Å²	76	153.7 Å²	153.7	78%	0.784	75%	0.746	S	S	*	*			trans	80.1	162.9	177.4	0	0	0	0	0	114.8
46	E	27	Very low	28	Very low	186 Å²	186	154.6 Å²	154.6	87%	0.869	76%	0.758	S	S	*	*			cis	-148.3	153.1	-12.3	-66.1	-166.3	112.7	0	0	111.4
47	S	28.8	Very low	28.2	Very low	99 Å²	99	156.7 Å²	156.7	69%	0.692	77%	0.768	S	S	*	*			trans	38.3	116.9	149.2	63.9	0	0	0	0	124.7
48	V	28.5	Very low	28.2	Very low	130 Å²	130	156.1 Å²	156.1	79%	0.788	77%	0.774	S	S	*	*				56.3	117.6	117.6	-177.1	0	0	0	0	120.6
49	E	27.4	Very low	28.2	Very low	133 Å²	133	161 Å²	161	62%	0.621	78%	0.783	S	S	*	*				-162.5	151.6	113.9	-89.7	-106.5	107.6	0	0	113.3
50	R	27.1	Very low	28.1	Very low	197 Å²	197	166.5 Å²	166.5	74%	0.743	80%	0.798	S	S	*	*			trans	-6.1	124.8	163.9	-61.4	157.8	-175.5	143.4	1.5	118.6
51	R	27.9	Very low	28.1	Very low	230 Å²	230	165 Å²	165	87%	0.868	80%	0.804	S	S	*	*				59.4	105.2	75.6	-79.4	-167.6	174.9	-168.7	-0.8	116.1
52	H	27.6	Very low	28.1	Very low	175 Å²	175	165.5 Å²	165.5	81%	0.81	80%	0.802	S	S	*	*			trans	173.8	158.7	132.5	-89.4	-61.5	0	0	0	108.4
53	R	27	Very low	28.1	Very low	212 Å²	212	165.5 Å²	165.5	80%	0.8	81%	0.807	S	S	*	*			cis	-177.2	113.5	-30.3	174.3	-170.3	-159.9	162.7	3.5	107.3
54	D	28.1	Very low	28.1	Very low	156 Å²	156	159.7 Å²	159.7	83%	0.834	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-70.3	143.6	177.4	-52.4	-66.8	0	0	0	112.1
55	P	35	Very low	28.2	Very low	124 Å²	124	164 Å²	164	81%	0.805	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-94.2	128.2	171.5	34.3	-29.7	0	0	0	111.6
56	E	29	Very low	28.4	Very low	198 Å²	198	169.1 Å²	169.1	93%	0.925	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-82.8	132.4	168.8	-66.9	178.8	127.1	0	0	110.6
57	E	29.8	Very low	28.4	Very low	177 Å²	177	167.7 Å²	167.7	83%	0.827	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-73.7	131.5	167.6	-86.4	-159.2	113.3	0	0	111.2
58	S	27.8	Very low	28.2	Very low	113 Å²	113	172.3 Å²	172.3	79%	0.79	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-90.6	123.9	172.4	65.7	0	0	0	0	111.7
59	R	28.7	Very low	28.1	Very low	229 Å²	229	171.2 Å²	171.2	86%	0.864	78%	0.777	S	S	*	*			trans	-120.5	133.9	153.3	-69	-169.5	-178.9	-169	0.9	109.9
60	R	27.3	Very low	28.1	Very low	230 Å²	230	175 Å²	175	87%	0.868	79%	0.786	S	S	*	*			trans	-97.9	140.4	173.7	-66.8	177	177.8	166.3	-0.3	108.8
61	D	27.2	Very low	28	Very low	152 Å²	152	175.6 Å²	175.6	81%	0.813	79%	0.788	S	S	*	*				173.8	159.3	125.9	-93.9	-4.6	0	0	0	108.6
62	R	28.6	Very low	28	Very low	168 Å²	168	173.3 Å²	173.3	63%	0.634	79%	0.787	S	S	*	*			cis	-175.1	130.4	-23.9	169.3	-175.7	-169.5	-77	-4	104.8	E64	R62-E64 IonicContact CZ-OE1 3.82Å; R62-E64 VanDerWaalsContact CZ-OE1 3.28Å; R62-E64 IonicContact NH1-OE1 3.74Å; R62-E64 PolarHBondContact NH1-OE1 3.13Å; R62-E64 IonicContact NH2-OE1 3.16Å; R62-E64 PolarHBondContact NH2-OE1 3.18Å
63	D	28.6	Very low	28	Very low	165 Å²	165	168.5 Å²	168.5	88%	0.882	79%	0.785	S	S	*	*			trans	-150	158.1	167.7	-118.7	-35.2	0	0	0	114.1
64	E	27.7	Very low	28.1	Very low	125 Å²	125	166.3 Å²	166.3	58%	0.584	79%	0.789	S	S	*	*			trans	-113.3	147.8	-169.7	-58.1	-175.9	171.7	0	0	111.6	R62	R62-E64 IonicContact CZ-OE1 3.82Å; R62-E64 VanDerWaalsContact CZ-OE1 3.28Å; R62-E64 IonicContact NH1-OE1 3.74Å; R62-E64 PolarHBondContact NH1-OE1 3.13Å; R62-E64 IonicContact NH2-OE1 3.16Å; R62-E64 PolarHBondContact NH2-OE1 3.18Å
65	L	27.7	Very low	28.1	Very low	169 Å²	169	163.1 Å²	163.1	89%	0.885	78%	0.779	S	S	*	*				-179.8	167.8	116.6	-97	164.3	0	0	0	113.8
66	K	29.1	Very low	27.9	Very low	183 Å²	183	169.2 Å²	169.2	80%	0.796	79%	0.786	S	S	*	*			trans	-89.1	161.1	170.7	-53.9	167.7	-176.3	167.8	0	108.1
67	E	26.7	Very low	28.1	Very low	157 Å²	157	166.4 Å²	166.4	73%	0.734	78%	0.777	S	S	*	*				-170.3	174.8	61	-83.9	-155.4	143.4	0	0	113.4
68	R	25.5	Very low	28.2	Very low	196 Å²	196	169.7 Å²	169.7	74%	0.74	78%	0.782	S	S	*	*			trans	86.6	107	142.8	-96.4	-178.1	148	143.2	1.9	122
69	E	26.4	Very low	28.4	Very low	106 Å²	106	173.1 Å²	173.1	50%	0.495	79%	0.785	S	S	.	*				83.5	136.4	121.6	-90	-177.6	-123.8	0	0	122.6
70	R	26.4	Very low	28.5	Very low	212 Å²	212	166.5 Å²	166.5	80%	0.8	78%	0.78	S	S	*	*			trans	71.6	156.7	155.6	-65.4	166.9	-153.6	-156.9	7.6	117.3
71	R	26	Very low	28.8	Very low	210 Å²	210	162.8 Å²	162.8	79%	0.792	77%	0.772	S	S	*	*			cis	-177.5	145.8	-34.6	-113.4	-170.7	-172.9	-168.3	4	105.7
72	H	28.3	Very low	29.1	Very low	182 Å²	182	165.2 Å²	165.2	84%	0.843	77%	0.77	S	S	*	*			trans	63.2	148.5	-176.4	-51.4	-89	0	0	0	114
73	G	26.1	Very low	29.2	Very low	75 Å²	75	168.4 Å²	168.4	77%	0.773	78%	0.782	S	S	*	*			cis	130.8	134.7	-12.3	0	0	0	0	0	113.8
74	D	29.1	Very low	29.4	Very low	165 Å²	165	168.9 Å²	168.9	88%	0.882	78%	0.776	S	S	*	*			trans	-160.4	160.5	142.7	-157.3	4.3	0	0	0	110.6
75	S	29.1	Very low	29.5	Very low	90 Å²	90	169 Å²	169	63%	0.629	78%	0.781	S	S	*	*			trans	-92.8	157.5	-179.8	-63.7	0	0	0	0	112.3
76	R	31.9	Very low	29.6	Very low	251 Å²	251	164 Å²	164	95%	0.947	77%	0.771	S	S	*	*			trans	-151.5	85.2	157.5	-118.1	172.6	-163.3	-168.7	4.9	113.1
77	D	31.7	Very low	29.9	Very low	139 Å²	139	160.2 Å²	160.2	74%	0.743	77%	0.767	S	S	*	*			trans	-62	140.8	166.8	-61.7	-72.1	0	0	0	111.9
78	R	32.3	Very low	30.2	Very low	247 Å²	247	163.6 Å²	163.6	93%	0.932	77%	0.773	S	S	*	*			trans	-138.3	121.8	144.5	-74.4	-162.2	173.1	171.9	-0.7	110
79	H	31.1	Very low	30.7	Very low	184 Å²	184	161 Å²	161	85%	0.852	77%	0.774	S	S	*	*			trans	-65	154.4	179.5	-104.9	-97.9	0	0	0	113.2
80	A	32.4	Very low	31.3	Very low	91 Å²	91	166.7 Å²	166.7	75%	0.752	79%	0.791	S	S	*	*			trans	-106.6	144.9	158	0	0	0	0	0	110.2
81	E	33.9	Very low	31.8	Very low	151 Å²	151	168.5 Å²	168.5	71%	0.706	80%	0.798	S	S	*	*			trans	-159.9	115.6	162.3	-111.3	-72.6	118.8	0	0	110.6
82	R	33.4	Very low	32.3	Very low	204 Å²	204	162 Å²	162	77%	0.77	80%	0.795	S	S	*	*			trans	26.7	136.3	147.7	-62.2	176.5	164.4	-179.2	-7.3	122.3
83	R	30.6	Very low	33.1	Very low	234 Å²	234	159.8 Å²	159.8	88%	0.883	79%	0.79	S	S	*	*				176.5	135.4	105.9	-95.4	166.6	-171.3	-147	2.2	114.5
84	K	32.2	Very low	34	Very low	176 Å²	176	165.1 Å²	165.1	77%	0.765	79%	0.792	S	S	*	*			trans	57	160.9	148.5	-86.4	171.3	155.9	-96	0	119.1
85	D	30.6	Very low	34.8	Very low	127 Å²	127	164 Å²	164	68%	0.679	79%	0.786	S	S	*	*			cis	-150.2	165.1	5.8	-134.6	-36.3	0	0	0	113.5
86	G	29.7	Very low	35.6	Very low	65 Å²	65	170.1 Å²	170.1	67%	0.67	80%	0.795	S	S	*	*			trans	67.9	171	164.1	0	0	0	0	0	119.4
87	S	35.2	Very low	36.3	Very low	102 Å²	102	166.9 Å²	166.9	71%	0.713	79%	0.79	S	S	*	*			cis	-168.1	144.5	-34.1	64.8	0	0	0	0	111
88	R	33.1	Very low	37.1	Very low	229 Å²	229	170.7 Å²	170.7	86%	0.864	80%	0.795	S	S	*	*			trans	66.4	156.4	170.3	-63.9	178.3	-174.8	154	1.5	115.3
89	D	36.4	Very low	38	Very low	142 Å²	142	168.5 Å²	168.5	76%	0.759	79%	0.786	S	S	*	*			cis	-144.9	178.7	-6	-130.2	-46.7	0	0	0	112.7
90	R	38.8	Very low	38.8	Very low	225 Å²	225	165.6 Å²	165.6	85%	0.849	78%	0.777	S	S	*	*			trans	-100.7	137.3	-177.2	-65.6	170.1	167.8	160.8	-7.2	114.1
91	R	36.6	Very low	39.8	Very low	250 Å²	250	164.8 Å²	164.8	94%	0.943	76%	0.76	S	S	*	*			trans	155.1	150.5	131.7	-85.2	161.1	-177.5	-153.7	0.3	113.1
92	G	35.8	Very low	40.5	Very low	72 Å²	72	163.3 Å²	163.3	74%	0.742	75%	0.753	S	S	*	*			trans	76	107.8	178	0	0	0	0	0	112.8
93	D	44.3	Very low	41.4	Very low	137 Å²	137	157.1 Å²	157.1	73%	0.733	74%	0.735	S	S	*	*			cis	75.9	120.5	21.7	-152.1	25.1	0	0	0	115.7
94	K	45	Very low	42.4	Very low	186 Å²	186	154.9 Å²	154.9	81%	0.809	73%	0.727	S	S	*	*	S	Bend	trans	72.4	6.6	165.6	-73.9	175.2	-173.5	-179.7	0	124.8
95	D	47.2	Very low	43.4	Very low	141 Å²	141	154.6 Å²	154.6	75%	0.754	72%	0.721	S	S	*	*	S	Bend	trans	-118.6	8.7	176.5	-94.9	-47.1	0	0	0	117.5
96	R	45.2	Very low	44.4	Very low	220 Å²	220	154.2 Å²	154.2	83%	0.83	71%	0.713	S	S	*	*	S	Bend	trans	-90.2	-33.1	-177.9	-84	-174.5	170.3	162	-0.8	116.3	R98 R99	R96-R98 PolarHBondContact O-N 2.9Å; R96-R98 VanDerWaalsContact O-N 3.13Å; R96-R99 PolarHBondContact O-N 2.96Å
97	E	47	Very low	45.3	Very low	182 Å²	182	159.6 Å²	159.6	85%	0.85	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-12.9	-170.7	-64.8	-176.5	140.2	0	0	114.9
98	R	49.1	Very low	46.2	Very low	220 Å²	220	158.6 Å²	158.6	83%	0.83	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-16	-179.5	-72.8	-172.8	174.3	-170.7	-1.6	115.4	R96	R96-R98 PolarHBondContact O-N 2.9Å; R96-R98 VanDerWaalsContact O-N 3.13Å
99	R	49.5	Very low	47.1	Very low	201 Å²	201	151.9 Å²	151.9	76%	0.758	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-37.1	179.9	-69.7	-172.3	179.1	-174.1	0.4	112.8	R96 D101 E102 D103	R96-R99 PolarHBondContact O-N 2.96Å; R99-D101 VanDerWaalsContact C-N 3.29Å; R99-D101 PolarHBondContact O-N 2.69Å; R99-E102 PolarHBondContact O-N 2.82Å; R99-D103 PolarHBondContact O-N 2.91Å
100	D	49.2	Very low	47.8	Very low	122 Å²	122	149.7 Å²	149.7	65%	0.652	68%	0.675	S	S	*	*	H	α-helix	trans	-64.7	-31.9	-179.6	-71.5	-5.3	0	0	0	112.7	R104	D100-R104 VanDerWaalsContact O-CB 3.22Å; D100-R104 WeakPolarHBondContact O-CB 3.49Å; D100-R104 PolarHBondContact O-N 3.15Å; D100-R104 VanDerWaalsContact O-N 3.17Å
101	D	52	Low	48.4	Very low	75 Å²	75	140.8 Å²	140.8	40%	0.401	65%	0.653	S	S	.	*	H	α-helix	trans	-78.9	-21	-179.7	-155	60.4	0	0	0	113.7	R99 R105	R99-D101 VanDerWaalsContact C-N 3.29Å; R99-D101 PolarHBondContact O-N 2.69Å; D101-R105 VanDerWaalsContact O-CD 3.31Å; D101-R105 WeakPolarHBondContact O-CD 3.3Å; D101-R105 VanDerWaalsContact O-CG 3.22Å; D101-R105 WeakPolarHBondContact O-CG 3.3Å; D101-R105 PolarHBondContact O-N 3.24Å; D101-R105 PolarHBondContact O-NE 3.04Å; D101-R105 IonicContact OD2-CZ 3.29Å; D101-R105 VanDerWaalsContact OD2-CZ 3.29Å; D101-R105 IonicContact OD2-NE 3.05Å; D101-R105 PolarHBondContact OD2-NE 3.5Å; D101-R105 IonicContact OD2-NH2 2.7Å; D101-R105 PolarHBondContact OD2-NH2 3.05Å
102	E	50.3	Low	49.2	Very low	119 Å²	119	136.9 Å²	136.9	56%	0.556	64%	0.639	S	S	*	*	H	α-helix	trans	-81.3	-44.1	175.9	-169	171.8	-149.7	0	0	111.1	R99 R104 R105 K106	R99-E102 PolarHBondContact O-N 2.82Å; E102-R104 VanDerWaalsContact C-N 3.28Å; E102-R104 PolarHBondContact O-N 3.23Å; E102-R105 PolarHBondContact O-N 2.78Å; E102-K106 PolarHBondContact O-N 3.14Å
103	D	51.3	Low	50.1	Low	75 Å²	75	138.4 Å²	138.4	40%	0.401	63%	0.63	S	S	.	*	H	α-helix	trans	-65.6	-33	176.3	-132.9	50.8	0	0	0	111.8	R99 R107	R99-D103 PolarHBondContact O-N 2.91Å; D103-R107 WeakPolarHBondContact O-CG 3.37Å; D103-R107 PolarHBondContact O-N 3.14Å; D103-R107 IonicContact OD2-CZ 2.68Å; D103-R107 IonicContact OD2-NE 3.19Å; D103-R107 IonicContact OD2-NH2 2.64Å; D103-R107 PolarHBondContact OD2-NH2 3.39Å
104	R	52.3	Low	50.7	Low	187 Å²	187	137.4 Å²	137.4	71%	0.706	62%	0.623	S	S	*	*	H	α-helix	trans	-70.9	-27.6	175.4	-159.9	175.4	-160.1	-162.6	5.7	113.2	D100 E102 V108	D100-R104 VanDerWaalsContact O-CB 3.22Å; D100-R104 WeakPolarHBondContact O-CB 3.49Å; D100-R104 PolarHBondContact O-N 3.15Å; D100-R104 VanDerWaalsContact O-N 3.17Å; E102-R104 VanDerWaalsContact C-N 3.28Å; E102-R104 PolarHBondContact O-N 3.23Å; R104-V108 WeakPolarHBondContact O-CG2 3.47Å
105	R	53.6	Low	51.2	Low	169 Å²	169	136.7 Å²	136.7	64%	0.638	62%	0.615	S	S	*	*	H	α-helix	trans	-74.5	-44	174.9	-72.6	166.7	-165.8	-130.2	4.1	111.7	D101 E102 R107 V108 V109	D101-R105 VanDerWaalsContact O-CD 3.31Å; D101-R105 WeakPolarHBondContact O-CD 3.3Å; D101-R105 VanDerWaalsContact O-CG 3.22Å; D101-R105 WeakPolarHBondContact O-CG 3.3Å; D101-R105 PolarHBondContact O-N 3.24Å; D101-R105 PolarHBondContact O-NE 3.04Å; D101-R105 IonicContact OD2-CZ 3.29Å; D101-R105 VanDerWaalsContact OD2-CZ 3.29Å; D101-R105 IonicContact OD2-NE 3.05Å; D101-R105 PolarHBondContact OD2-NE 3.5Å; D101-R105 IonicContact OD2-NH2 2.7Å; D101-R105 PolarHBondContact OD2-NH2 3.05Å; E102-R105 PolarHBondContact O-N 2.78Å; R105-R107 PolarHBondContact O-N 2.74Å; R105-V108 PolarHBondContact O-N 2.94Å; R105-V108 VanDerWaalsContact O-N 3.12Å; R105-V109 PolarHBondContact O-N 3.35Å
106	K	51.5	Low	51.7	Low	120 Å²	120	134 Å²	134	52%	0.522	60%	0.601	S	S	.	*	H	α-helix	trans	-56.2	-49.5	177.6	-70.1	177	-178.5	170	0	112	E102 V108 V109 D110	E102-K106 PolarHBondContact O-N 3.14Å; K106-V108 PolarHBondContact O-N 2.87Å; K106-V109 PolarHBondContact O-N 2.67Å; K106-D110 PolarHBondContact O-N 2.78Å
107	R	48.5	Very low	52.3	Low	178 Å²	178	132.7 Å²	132.7	67%	0.672	60%	0.596	S	S	*	*	H	α-helix	trans	-62	-15.9	179	-63.1	177	-161.4	-142.5	5.2	115	D103 R105	D103-R107 WeakPolarHBondContact O-CG 3.37Å; D103-R107 PolarHBondContact O-N 3.14Å; D103-R107 IonicContact OD2-CZ 2.68Å; D103-R107 IonicContact OD2-NE 3.19Å; D103-R107 IonicContact OD2-NH2 2.64Å; D103-R107 PolarHBondContact OD2-NH2 3.39Å; R105-R107 PolarHBondContact O-N 2.74Å
108	V	53.3	Low	52.9	Low	81 Å²	81	130 Å²	130	49%	0.491	58%	0.583	S	S	.	*	H	α-helix	trans	-91.6	-16.8	176.3	172.7	0	0	0	0	112.5	R104 R105 K106	R104-V108 WeakPolarHBondContact O-CG2 3.47Å; R105-V108 PolarHBondContact O-N 2.94Å; R105-V108 VanDerWaalsContact O-N 3.12Å; K106-V108 PolarHBondContact O-N 2.87Å
109	V	52.4	Low	53.5	Low	88 Å²	88	125.1 Å²	125.1	53%	0.533	57%	0.568	S	S	.	*	H	α-helix	trans	-83	-55.5	173	-179.9	0	0	0	0	109.8	R105 K106 G111 R112 D113	R105-V109 PolarHBondContact O-N 3.35Å; K106-V109 PolarHBondContact O-N 2.67Å; V109-G111 PolarHBondContact O-N 3.03Å; V109-G111 VanDerWaalsContact O-N 3.14Å; V109-R112 WeakPolarHBondContact O-CB 3.33Å; V109-R112 PolarHBondContact O-N 2.95Å; V109-D113 PolarHBondContact O-N 2.67Å
110	D	52	Low	54.3	Low	96 Å²	96	121.2 Å²	121.2	51%	0.513	56%	0.558	S	S	.	*	H	α-helix	trans	-54.2	-38.6	179.1	-60	-37.5	0	0	0	112.3	K106 R112 D113 I114	K106-D110 PolarHBondContact O-N 2.78Å; D110-R112 PolarHBondContact O-N 3.31Å; D110-R112 VanDerWaalsContact O-N 3.16Å; D110-D113 PolarHBondContact O-N 2.86Å; D110-I114 VanDerWaalsContact O-CG1 3.3Å; D110-I114 WeakPolarHBondContact O-CG1 3.37Å; D110-I114 PolarHBondContact O-N 3.4Å
111	G	51.3	Low	55.1	Low	37 Å²	37	121.3 Å²	121.3	38%	0.381	55%	0.552	S	S	.	*	H	α-helix	trans	-67.5	-8.3	178.7	0	0	0	0	0	115.6	V109	V109-G111 PolarHBondContact O-N 3.03Å; V109-G111 VanDerWaalsContact O-N 3.14Å
112	R	53.3	Low	55.6	Low	169 Å²	169	123.1 Å²	123.1	64%	0.638	56%	0.558	S	S	*	*	H	α-helix	trans	-95	-51.2	170.4	-63.5	-177.2	-169.6	-153.7	1.2	111	V109 D110 I114 R115 D116	V109-R112 WeakPolarHBondContact O-CB 3.33Å; V109-R112 PolarHBondContact O-N 2.95Å; D110-R112 PolarHBondContact O-N 3.31Å; D110-R112 VanDerWaalsContact O-N 3.16Å; R112-I114 VanDerWaalsContact C-N 3.28Å; R112-I114 PolarHBondContact O-N 2.96Å; R112-R115 WeakPolarHBondContact O-CA 3.21Å; R112-R115 WeakPolarHBondContact O-CB 3.33Å; R112-R115 PolarHBondContact O-N 3.45Å; R112-D116 PolarHBondContact O-N 2.92Å
113	D	53.9	Low	56.4	Low	104 Å²	104	124.3 Å²	124.3	56%	0.556	56%	0.562	S	S	*	*	H	α-helix	trans	-55.5	-42.9	178.1	-93.6	-48.3	0	0	0	112.3	V109 D110 R115 R117	V109-D113 PolarHBondContact O-N 2.67Å; D110-D113 PolarHBondContact O-N 2.86Å; D113-R115 VanDerWaalsContact C-N 3.28Å; D113-R115 PolarHBondContact O-N 3.31Å; D113-R117 WeakPolarHBondContact O-CB 3.16Å; D113-R117 PolarHBondContact O-N 3.01Å
114	I	56.8	Low	57.1	Low	115 Å²	115	125.7 Å²	125.7	59%	0.59	57%	0.566	S	S	*	*	H	α-helix	trans	-61.3	-38.7	175.6	-66.3	166.9	0	0	0	111.2	D110 R112 H118	D110-I114 VanDerWaalsContact O-CG1 3.3Å; D110-I114 WeakPolarHBondContact O-CG1 3.37Å; D110-I114 PolarHBondContact O-N 3.4Å; R112-I114 VanDerWaalsContact C-N 3.28Å; R112-I114 PolarHBondContact O-N 2.96Å; I114-H118 WeakPolarHBondContact O-CB 3.43Å; I114-H118 PolarHBondContact O-N 2.51Å
115	R	54.7	Low	57.8	Low	172 Å²	172	122.1 Å²	122.1	65%	0.649	56%	0.557	S	S	*	*	H	α-helix	trans	-74	-43.5	-176.7	-173.2	-178.4	-60.6	-143.4	-3.4	112.3	R112 D113 H118 K119	R112-R115 WeakPolarHBondContact O-CA 3.21Å; R112-R115 WeakPolarHBondContact O-CB 3.33Å; R112-R115 PolarHBondContact O-N 3.45Å; D113-R115 VanDerWaalsContact C-N 3.28Å; D113-R115 PolarHBondContact O-N 3.31Å; R115-H118 PolarHBondContact O-N 3.05Å; R115-K119 PolarHBondContact O-N 2.87Å; R115-K119 VanDerWaalsContact O-N 3.08Å
116	D	59	Low	58.6	Low	83 Å²	83	119.4 Å²	119.4	44%	0.444	56%	0.555	S	S	.	*	H	α-helix	trans	-78.7	-29.1	-178.9	-66.7	-42.3	0	0	0	111.4	R112 K119 H120	R112-D116 PolarHBondContact O-N 2.92Å; D116-K119 PolarHBondContact O-N 2.99Å; D116-K119 IonicContact OD1-NZ 3.48Å; D116-K119 PolarHBondContact OD1-NZ 3.1Å; D116-H120 PolarHBondContact O-N 2.84Å
117	R	58.2	Low	59.5	Low	193 Å²	193	119.9 Å²	119.9	73%	0.728	56%	0.557	S	S	*	*	H	α-helix	trans	-60.7	-41.6	163.9	-171.5	-179.5	-64	-155.3	-0.1	112	D113 H120 K121	D113-R117 WeakPolarHBondContact O-CB 3.16Å; D113-R117 PolarHBondContact O-N 3.01Å; R117-H120 PolarHBondContact O-N 3.12Å; R117-K121 PolarHBondContact O-N 2.66Å; R117-K121 VanDerWaalsContact O-N 3.07Å
118	H	59	Low	60.8	Low	125 Å²	125	115.4 Å²	115.4	58%	0.579	55%	0.549	S	S	*	.	H	α-helix	trans	-63.9	-41.4	176.9	-135.7	-68.5	0	0	0	112.4	I114 R115 K121 E122	I114-H118 WeakPolarHBondContact O-CB 3.43Å; I114-H118 PolarHBondContact O-N 2.51Å; R115-H118 PolarHBondContact O-N 3.05Å; H118-K121 PolarHBondContact O-N 3.38Å; H118-E122 PolarHBondContact O-N 3.15Å
119	K	61.2	Low	61.5	Low	119 Å²	119	119.5 Å²	119.5	52%	0.517	56%	0.556	S	S	.	*	H	α-helix	trans	-64.1	-39.4	173.6	-77.5	178	-178.8	163.8	0	113.2	R115 D116 K121 E122 K123	R115-K119 PolarHBondContact O-N 2.87Å; R115-K119 VanDerWaalsContact O-N 3.08Å; D116-K119 PolarHBondContact O-N 2.99Å; D116-K119 IonicContact OD1-NZ 3.48Å; D116-K119 PolarHBondContact OD1-NZ 3.1Å; K119-K121 VanDerWaalsContact C-N 3.3Å; K119-E122 PolarHBondContact O-N 2.76Å; K119-K123 WeakPolarHBondContact O-CB 3.32Å; K119-K123 PolarHBondContact O-N 3.39Å
120	H	66.8	Low	62.3	Low	118 Å²	118	121.2 Å²	121.2	55%	0.546	56%	0.558	S	S	.	*	H	α-helix	trans	-62.6	-43.9	177.5	-135.9	-84.3	0	0	0	110.2	D116 R117 K123 E124	D116-H120 PolarHBondContact O-N 2.84Å; R117-H120 PolarHBondContact O-N 3.12Å; H120-K123 WeakPolarHBondContact O-CB 3.47Å; H120-K123 PolarHBondContact O-N 2.85Å; H120-K123 VanDerWaalsContact O-N 3.15Å; H120-E124 IonicContact CE1-OE1 2.67Å; H120-E124 IonicContact ND1-OE1 3.53Å; H120-E124 PolarHBondContact ND1-OE1 2.89Å; H120-E124 PolarHBondContact O-N 3.33Å
121	K	65.4	Low	63.3	Low	124 Å²	124	122.1 Å²	122.1	54%	0.539	56%	0.559	S	S	.	*	H	α-helix	trans	-64	-45.3	176.4	-161.6	-179.6	-175.7	-161.8	0	113	R117 H118 K119 K123 E124 E125	R117-K121 PolarHBondContact O-N 2.66Å; R117-K121 VanDerWaalsContact O-N 3.07Å; H118-K121 PolarHBondContact O-N 3.38Å; K119-K121 VanDerWaalsContact C-N 3.3Å; K121-K123 PolarHBondContact O-N 3.02Å; K121-E124 PolarHBondContact O-N 3.17Å; K121-E125 WeakPolarHBondContact CE-OE1 3.18Å; K121-E125 HydrophobicContact CG-CG 4.47Å; K121-E125 IonicContact NZ-OE1 2.65Å; K121-E125 WeakPolarHBondContact O-CB 3.33Å; K121-E125 WeakPolarHBondContact O-CG 3.37Å; K121-E125 PolarHBondContact O-N 3.48Å
122	E	62.3	Low	64.5	Low	113 Å²	113	124.6 Å²	124.6	53%	0.528	57%	0.567	S	S	.	*	H	α-helix	trans	-56.9	-37.1	172	-82	-173.2	120.9	0	0	112.2	H118 K119 L126	H118-E122 PolarHBondContact O-N 3.15Å; K119-E122 PolarHBondContact O-N 2.76Å; E122-L126 WeakPolarHBondContact O-CB 3.31Å; E122-L126 VanDerWaalsContact O-CG 3.24Å; E122-L126 WeakPolarHBondContact O-CG 3.33Å; E122-L126 PolarHBondContact O-N 2.84Å
123	K	67.5	Low	65.3	Low	144 Å²	144	124 Å²	124	63%	0.626	57%	0.565	S	S	*	*	H	α-helix	trans	-74	-31.4	-178.7	-163.4	175.9	-177.3	-174.6	0	112.9	K119 H120 K121 K127	K119-K123 WeakPolarHBondContact O-CB 3.32Å; K119-K123 PolarHBondContact O-N 3.39Å; H120-K123 WeakPolarHBondContact O-CB 3.47Å; H120-K123 PolarHBondContact O-N 2.85Å; H120-K123 VanDerWaalsContact O-N 3.15Å; K121-K123 PolarHBondContact O-N 3.02Å; K123-K127 PolarHBondContact O-N 3.38Å
124	E	66.3	Low	66.3	Low	104 Å²	104	122.3 Å²	122.3	49%	0.486	56%	0.556	S	S	.	*	H	α-helix	trans	-75.2	-44.3	171.1	-76.5	161.9	-152	0	0	111.5	H120 K121 L126 K127 V128	H120-E124 IonicContact CE1-OE1 2.67Å; H120-E124 IonicContact ND1-OE1 3.53Å; H120-E124 PolarHBondContact ND1-OE1 2.89Å; H120-E124 PolarHBondContact O-N 3.33Å; K121-E124 PolarHBondContact O-N 3.17Å; E124-L126 PolarHBondContact O-N 3.34Å; E124-K127 WeakPolarHBondContact O-CB 3.46Å; E124-K127 PolarHBondContact O-N 2.61Å; E124-K127 VanDerWaalsContact O-N 3.1Å; E124-V128 WeakPolarHBondContact O-CG2 3.09Å; E124-V128 PolarHBondContact O-N 3.48Å
125	E	65.9	Low	67.1	Low	113 Å²	113	121.8 Å²	121.8	53%	0.528	55%	0.554	S	S	.	*	H	α-helix	trans	-60.3	-33.1	173.5	-72.3	177.6	-164.9	0	0	112	K121 R129	K121-E125 WeakPolarHBondContact CE-OE1 3.18Å; K121-E125 HydrophobicContact CG-CG 4.47Å; K121-E125 IonicContact NZ-OE1 2.65Å; K121-E125 WeakPolarHBondContact O-CB 3.33Å; K121-E125 WeakPolarHBondContact O-CG 3.37Å; K121-E125 PolarHBondContact O-N 3.48Å; E125-R129 WeakPolarHBondContact O-CB 3.35Å; E125-R129 PolarHBondContact O-N 2.94Å
126	L	70.8	Confident	67.9	Low	111 Å²	111	121.3 Å²	121.3	58%	0.581	55%	0.552	S	S	*	*	H	α-helix	trans	-68	-45.2	170.9	-79.5	168	0	0	0	112.7	E122 E124 R129 E130	E122-L126 WeakPolarHBondContact O-CB 3.31Å; E122-L126 VanDerWaalsContact O-CG 3.24Å; E122-L126 WeakPolarHBondContact O-CG 3.33Å; E122-L126 PolarHBondContact O-N 2.84Å; E124-L126 PolarHBondContact O-N 3.34Å; L126-R129 PolarHBondContact O-N 2.74Å; L126-E130 PolarHBondContact O-N 3.1Å
127	K	71.5	Confident	68.6	Low	130 Å²	130	124.9 Å²	124.9	57%	0.565	56%	0.559	S	S	*	*	H	α-helix	trans	-59.4	-52.3	176.8	-84.2	-174.3	165.4	-160.4	0	112.3	K123 E124 R129 E130 E131	K123-K127 PolarHBondContact O-N 3.38Å; E124-K127 WeakPolarHBondContact O-CB 3.46Å; E124-K127 PolarHBondContact O-N 2.61Å; E124-K127 VanDerWaalsContact O-N 3.1Å; K127-R129 PolarHBondContact O-N 2.86Å; K127-E130 WeakPolarHBondContact O-CA 3.34Å; K127-E130 WeakPolarHBondContact O-CB 3.42Å; K127-E130 PolarHBondContact O-N 3.31Å; K127-E131 PolarHBondContact O-N 3.19Å
128	V	74.4	Confident	69.3	Low	85 Å²	85	122.2 Å²	122.2	52%	0.515	56%	0.555	S	S	.	*	H	α-helix	trans	-58.7	-35.2	179	174.2	0	0	0	0	110.6	E124 E130 V132	E124-V128 WeakPolarHBondContact O-CG2 3.09Å; E124-V128 PolarHBondContact O-N 3.48Å; V128-E130 VanDerWaalsContact C-N 3.32Å; V128-E130 PolarHBondContact O-N 3.1Å; V128-V132 HydrophobicContact CG1-CG2 4.43Å; V128-V132 VanDerWaalsContact O-CB 3.27Å; V128-V132 WeakPolarHBondContact O-CB 3.25Å; V128-V132 WeakPolarHBondContact O-CG2 3.48Å; V128-V132 PolarHBondContact O-N 2.81Å
129	R	68.5	Low	70	Confident	167 Å²	167	122 Å²	122	63%	0.63	55%	0.554	S	S	*	*	H	α-helix	trans	-74.9	-18.3	176.2	-165.1	176.8	-168.1	-170.3	5.9	114.1	E125 L126 K127 R133	E125-R129 WeakPolarHBondContact O-CB 3.35Å; E125-R129 PolarHBondContact O-N 2.94Å; L126-R129 PolarHBondContact O-N 2.74Å; K127-R129 PolarHBondContact O-N 2.86Å; R129-R133 WeakPolarHBondContact O-CD 3.41Å; R129-R133 VanDerWaalsContact O-CG 3.23Å; R129-R133 WeakPolarHBondContact O-CG 3.15Å; R129-R133 PolarHBondContact O-N 2.78Å
130	E	70.6	Confident	70.5	Confident	123 Å²	123	123.8 Å²	123.8	58%	0.575	56%	0.558	S	S	*	*	H	α-helix	trans	-85.1	-46.6	173.3	-162.6	149.2	-120.5	0	0	110.2	L126 K127 V128 V132 R133 D134	L126-E130 PolarHBondContact O-N 3.1Å; K127-E130 WeakPolarHBondContact O-CA 3.34Å; K127-E130 WeakPolarHBondContact O-CB 3.42Å; K127-E130 PolarHBondContact O-N 3.31Å; V128-E130 VanDerWaalsContact C-N 3.32Å; V128-E130 PolarHBondContact O-N 3.1Å; E130-V132 PolarHBondContact O-N 2.83Å; E130-R133 WeakPolarHBondContact O-CA 3.42Å; E130-R133 VanDerWaalsContact O-CB 3.31Å; E130-R133 WeakPolarHBondContact O-CB 3.45Å; E130-R133 PolarHBondContact O-N 2.76Å; E130-D134 PolarHBondContact O-N 2.62Å
131	E	72.4	Confident	70.9	Confident	115 Å²	115	123.9 Å²	123.9	54%	0.537	56%	0.561	S	S	.	*	H	α-helix	trans	-56.8	-46.7	171.3	-69	166.1	175.3	0	0	111.8	K127 R133 D134 N135	K127-E131 PolarHBondContact O-N 3.19Å; E131-R133 PolarHBondContact O-N 3.48Å; E131-D134 PolarHBondContact O-N 2.88Å; E131-N135 WeakPolarHBondContact O-CB 3.38Å; E131-N135 PolarHBondContact O-N 2.84Å
132	V	76.2	Confident	71.5	Confident	90 Å²	90	124.3 Å²	124.3	55%	0.545	56%	0.564	S	S	.	*	H	α-helix	trans	-65.1	-22.6	174.4	168.6	0	0	0	0	112.7	V128 E130 R136	V128-V132 HydrophobicContact CG1-CG2 4.43Å; V128-V132 VanDerWaalsContact O-CB 3.27Å; V128-V132 WeakPolarHBondContact O-CB 3.25Å; V128-V132 WeakPolarHBondContact O-CG2 3.48Å; V128-V132 PolarHBondContact O-N 2.81Å; E130-V132 PolarHBondContact O-N 2.83Å; V132-R136 VanDerWaalsContact O-CB 3.24Å; V132-R136 WeakPolarHBondContact O-CB 3.07Å; V132-R136 PolarHBondContact O-N 2.95Å
133	R	70.6	Confident	72.1	Confident	157 Å²	157	124.8 Å²	124.8	59%	0.592	57%	0.566	S	S	*	*	H	α-helix	trans	-79.9	-37.7	173.4	-85.4	170.9	165.5	-176.3	-4.7	112.4	R129 E130 E131 R137	R129-R133 WeakPolarHBondContact O-CD 3.41Å; R129-R133 VanDerWaalsContact O-CG 3.23Å; R129-R133 WeakPolarHBondContact O-CG 3.15Å; R129-R133 PolarHBondContact O-N 2.78Å; E130-R133 WeakPolarHBondContact O-CA 3.42Å; E130-R133 VanDerWaalsContact O-CB 3.31Å; E130-R133 WeakPolarHBondContact O-CB 3.45Å; E130-R133 PolarHBondContact O-N 2.76Å; E131-R133 PolarHBondContact O-N 3.48Å; R133-R137 WeakPolarHBondContact O-CG 3.38Å; R133-R137 PolarHBondContact O-N 2.84Å; R133-R137 VanDerWaalsContact O-N 3.1Å
134	D	73.9	Confident	72.5	Confident	68 Å²	68	126.6 Å²	126.6	36%	0.364	57%	0.569	S	S	.	*	H	α-helix	trans	-80.1	-38.9	-178.5	-73.5	-24.9	0	0	0	112	E130 E131 R136 R137 E138	E130-D134 PolarHBondContact O-N 2.62Å; E131-D134 PolarHBondContact O-N 2.88Å; D134-R136 PolarHBondContact O-N 3.44Å; D134-R137 CarbonylContact O-C 3.59Å; D134-R137 WeakPolarHBondContact O-CA 3.38Å; D134-R137 WeakPolarHBondContact O-CB 3.44Å; D134-R137 PolarHBondContact O-N 3Å; D134-R137 WeakPolarHBondContact OD1-CD 3.45Å; D134-R137 IonicContact OD1-CZ 3.51Å; D134-R137 IonicContact OD1-NE 3.1Å; D134-R137 IonicContact OD1-NH1 2.84Å; D134-R137 PolarHBondContact OD1-NH1 2.88Å; D134-E138 PolarHBondContact O-N 2.95Å
135	N	73.3	Confident	72.7	Confident	103 Å²	103	130.1 Å²	130.1	55%	0.551	58%	0.577	S	S	*	*	H	α-helix	trans	-53.8	-43.6	166.3	-74.3	3.6	0	0	0	111.2	E131 R137 E138 E139	E131-N135 WeakPolarHBondContact O-CB 3.38Å; E131-N135 PolarHBondContact O-N 2.84Å; N135-R137 PolarHBondContact O-N 3.1Å; N135-E138 PolarHBondContact O-N 3.19Å; N135-E139 WeakPolarHBondContact O-CG 3.21Å; N135-E139 PolarHBondContact O-N 3.11Å
136	R	71.8	Confident	73.1	Confident	162 Å²	162	128.1 Å²	128.1	61%	0.611	57%	0.568	S	S	*	*	H	α-helix	trans	-75.8	-6.8	178.2	-153.8	176.3	-163.6	-168.6	5.4	114.2	V132 D134 R140	V132-R136 VanDerWaalsContact O-CB 3.24Å; V132-R136 WeakPolarHBondContact O-CB 3.07Å; V132-R136 PolarHBondContact O-N 2.95Å; D134-R136 PolarHBondContact O-N 3.44Å; R136-R140 WeakPolarHBondContact O-CD 3.22Å; R136-R140 WeakPolarHBondContact O-CG 3.45Å
137	R	74	Confident	73.3	Confident	159 Å²	159	128.6 Å²	128.6	60%	0.6	57%	0.567	S	S	*	*	H	α-helix	trans	-88.4	-42.3	164.9	-78.1	158.3	152.2	179.2	-6	110.4	R133 D134 N135 R140 L141	R133-R137 WeakPolarHBondContact O-CG 3.38Å; R133-R137 PolarHBondContact O-N 2.84Å; R133-R137 VanDerWaalsContact O-N 3.1Å; D134-R137 CarbonylContact O-C 3.59Å; D134-R137 WeakPolarHBondContact O-CA 3.38Å; D134-R137 WeakPolarHBondContact O-CB 3.44Å; D134-R137 PolarHBondContact O-N 3Å; D134-R137 WeakPolarHBondContact OD1-CD 3.45Å; D134-R137 IonicContact OD1-CZ 3.51Å; D134-R137 IonicContact OD1-NE 3.1Å; D134-R137 IonicContact OD1-NH1 2.84Å; D134-R137 PolarHBondContact OD1-NH1 2.88Å; N135-R137 PolarHBondContact O-N 3.1Å; R137-R140 PolarHBondContact O-N 3.34Å; R137-L141 WeakPolarHBondContact O-CG 3.42Å; R137-L141 PolarHBondContact O-N 3.2Å
138	E	73.2	Confident	73.6	Confident	136 Å²	136	127.5 Å²	127.5	64%	0.636	57%	0.567	S	S	*	*	H	α-helix	trans	-62.6	-42.3	175.3	-66.6	-160.6	154.5	0	0	112.1	D134 N135 R140 L141 K142	D134-E138 PolarHBondContact O-N 2.95Å; N135-E138 PolarHBondContact O-N 3.19Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3Å; E138-L141 PolarHBondContact O-N 2.91Å; E138-K142 WeakPolarHBondContact O-CB 3.21Å; E138-K142 PolarHBondContact O-N 2.83Å
139	E	72.9	Confident	73.5	Confident	120 Å²	120	127 Å²	127	56%	0.561	56%	0.559	S	S	*	*	H	α-helix	trans	-53.2	-49.6	170.6	-75.8	-177	137.7	0	0	111.5	N135 L141 K142 E143	N135-E139 WeakPolarHBondContact O-CG 3.21Å; N135-E139 PolarHBondContact O-N 3.11Å; E139-L141 VanDerWaalsContact C-N 3.32Å; E139-L141 PolarHBondContact O-N 3.45Å; E139-K142 CarbonylContact O-C 3.59Å; E139-K142 WeakPolarHBondContact O-CB 3.5Å; E139-K142 PolarHBondContact O-N 2.87Å; E139-K142 VanDerWaalsContact O-N 3.14Å; E139-E143 WeakPolarHBondContact O-CG 3.45Å; E139-E143 PolarHBondContact O-N 2.87Å
140	R	73.4	Confident	73.7	Confident	158 Å²	158	125 Å²	125	60%	0.596	55%	0.552	S	S	*	*	H	α-helix	trans	-67	-30.4	179.9	-71.6	176	173.9	-150.1	-6.4	113.7	R136 R137 E138 R144	R136-R140 WeakPolarHBondContact O-CD 3.22Å; R136-R140 WeakPolarHBondContact O-CG 3.45Å; R137-R140 PolarHBondContact O-N 3.34Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3Å; R140-R144 WeakPolarHBondContact O-CB 3.23Å; R140-R144 PolarHBondContact O-N 3Å; R140-R144 VanDerWaalsContact O-N 3.11Å
141	L	73.6	Confident	73.9	Confident	119 Å²	119	124.8 Å²	124.8	62%	0.623	55%	0.55	S	S	*	*	H	α-helix	trans	-73.4	-36.4	173.2	-71.3	171.1	0	0	0	111	R137 E138 E139 R145	R137-L141 WeakPolarHBondContact O-CG 3.42Å; R137-L141 PolarHBondContact O-N 3.2Å; E138-L141 PolarHBondContact O-N 2.91Å; E139-L141 VanDerWaalsContact C-N 3.32Å; E139-L141 PolarHBondContact O-N 3.45Å; L141-R145 WeakPolarHBondContact O-CB 3.21Å; L141-R145 PolarHBondContact O-N 3.33Å
142	K	78.4	Confident	73.8	Confident	134 Å²	134	124 Å²	124	58%	0.583	55%	0.549	S	S	*	.	H	α-helix	trans	-67.1	-48.4	173.4	-173	-179.2	175.6	-174.5	0	111.4	E138 E139 R144 R145 E146	E138-K142 WeakPolarHBondContact O-CB 3.21Å; E138-K142 PolarHBondContact O-N 2.83Å; E139-K142 CarbonylContact O-C 3.59Å; E139-K142 WeakPolarHBondContact O-CB 3.5Å; E139-K142 PolarHBondContact O-N 2.87Å; E139-K142 VanDerWaalsContact O-N 3.14Å; K142-R144 VanDerWaalsContact C-N 3.35Å; K142-R144 PolarHBondContact O-N 2.97Å; K142-R145 PolarHBondContact O-N 2.95Å; K142-R145 VanDerWaalsContact O-N 3.09Å; K142-E146 WeakPolarHBondContact CE-OE1 3.39Å; K142-E146 WeakPolarHBondContact O-CG 3.45Å; K142-E146 PolarHBondContact O-N 3.06Å
143	E	75.7	Confident	73.5	Confident	123 Å²	123	127.3 Å²	127.3	58%	0.575	55%	0.552	S	S	*	*	H	α-helix	trans	-52.3	-51	172.3	-74.5	178.2	142	0	0	111.1	E139 R145 E146 E147	E139-E143 WeakPolarHBondContact O-CG 3.45Å; E139-E143 PolarHBondContact O-N 2.87Å; E143-R145 VanDerWaalsContact C-N 3.34Å; E143-R145 PolarHBondContact O-N 3.37Å; E143-E146 PolarHBondContact O-N 2.97Å; E143-E147 WeakPolarHBondContact O-CB 3.27Å; E143-E147 PolarHBondContact O-N 3.08Å
144	R	74.6	Confident	73.5	Confident	182 Å²	182	127.2 Å²	127.2	69%	0.687	55%	0.552	S	S	*	*	H	α-helix	trans	-60.8	-38.4	176.1	-91.1	-176.8	161.3	-94.3	-5.2	113.4	R140 K142 L148	R140-R144 WeakPolarHBondContact O-CB 3.23Å; R140-R144 PolarHBondContact O-N 3Å; R140-R144 VanDerWaalsContact O-N 3.11Å; K142-R144 VanDerWaalsContact C-N 3.35Å; K142-R144 PolarHBondContact O-N 2.97Å; R144-L148 WeakPolarHBondContact O-CB 3.27Å; R144-L148 PolarHBondContact O-N 3.01Å
145	R	70.6	Confident	73.2	Confident	177 Å²	177	129.8 Å²	129.8	67%	0.668	56%	0.562	S	S	*	*	H	α-helix	trans	-68.1	-43.6	178	-177.7	177.6	172.6	177.8	-0.8	111.2	L141 K142 E143 L148 E149	L141-R145 WeakPolarHBondContact O-CB 3.21Å; L141-R145 PolarHBondContact O-N 3.33Å; K142-R145 PolarHBondContact O-N 2.95Å; K142-R145 VanDerWaalsContact O-N 3.09Å; E143-R145 VanDerWaalsContact C-N 3.34Å; E143-R145 PolarHBondContact O-N 3.37Å; R145-L148 PolarHBondContact O-N 3.2Å; R145-E149 PolarHBondContact O-N 3.34Å
146	E	75.4	Confident	72.8	Confident	72 Å²	72	133.6 Å²	133.6	34%	0.336	57%	0.568	S	S	.	*	H	α-helix	trans	-68.5	-34.3	175.5	-64.6	178.4	-165.6	0	0	112.2	K142 E143 E149 R150	K142-E146 WeakPolarHBondContact CE-OE1 3.39Å; K142-E146 WeakPolarHBondContact O-CG 3.45Å; K142-E146 PolarHBondContact O-N 3.06Å; E143-E146 PolarHBondContact O-N 2.97Å; E146-E149 PolarHBondContact O-N 2.86Å; E146-R150 WeakPolarHBondContact O-CB 3.31Å; E146-R150 WeakPolarHBondContact O-CD 3.24Å; E146-R150 WeakPolarHBondContact O-CG 3.28Å; E146-R150 PolarHBondContact O-N 2.79Å; E146-R150 IonicContact OE2-CZ 2.67Å; E146-R150 IonicContact OE2-NH1 3.32Å; E146-R150 PolarHBondContact OE2-NH1 3.36Å; E146-R150 IonicContact OE2-NH2 2.98Å; E146-R150 PolarHBondContact OE2-NH2 2.97Å
147	E	74.8	Confident	72.5	Confident	121 Å²	121	134.2 Å²	134.2	57%	0.565	57%	0.571	S	S	*	*	H	α-helix	trans	-63.2	-45.7	171.7	-175.5	170.3	-135.1	0	0	111.3	E143 E149 R150 E151	E143-E147 WeakPolarHBondContact O-CB 3.27Å; E143-E147 PolarHBondContact O-N 3.08Å; E147-E149 VanDerWaalsContact C-N 3.34Å; E147-E149 PolarHBondContact O-N 2.97Å; E147-R150 CarbonylContact O-C 3.59Å; E147-R150 WeakPolarHBondContact O-CB 3.41Å; E147-R150 PolarHBondContact O-N 3.04Å; E147-R150 VanDerWaalsContact O-N 3.16Å; E147-E151 PolarHBondContact O-N 3.48Å
148	L	77.4	Confident	72.1	Confident	106 Å²	106	134.1 Å²	134.1	56%	0.555	57%	0.57	S	S	*	*	H	α-helix	trans	-62.1	-39.8	175.1	-154.3	83.2	0	0	0	111.9	R144 R145 E151 L152	R144-L148 WeakPolarHBondContact O-CB 3.27Å; R144-L148 PolarHBondContact O-N 3.01Å; R145-L148 PolarHBondContact O-N 3.2Å; L148-E151 PolarHBondContact O-N 3.49Å; L148-L152 WeakPolarHBondContact O-CB 3.35Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 3.41Å
149	E	71.4	Confident	71.7	Confident	75 Å²	75	134.3 Å²	134.3	35%	0.35	57%	0.571	S	S	.	*	H	α-helix	trans	-66.5	-39.1	172.4	-82.6	-165.4	-145.9	0	0	112.7	R145 E146 E147 E151 L152 R153	R145-E149 PolarHBondContact O-N 3.34Å; E146-E149 PolarHBondContact O-N 2.86Å; E147-E149 VanDerWaalsContact C-N 3.34Å; E147-E149 PolarHBondContact O-N 2.97Å; E149-E151 VanDerWaalsContact C-N 3.29Å; E149-E151 PolarHBondContact O-N 3Å; E149-L152 PolarHBondContact O-N 2.95Å; E149-R153 WeakPolarHBondContact O-CB 3.45Å; E149-R153 WeakPolarHBondContact O-CG 3.31Å; E149-R153 PolarHBondContact O-N 3.01Å; E149-R153 IonicContact OE2-CZ 3.66Å; E149-R153 IonicContact OE2-NE 3.59Å; E149-R153 IonicContact OE2-NH2 3.6Å; E149-R153 PolarHBondContact OE2-NH2 3.32Å
150	R	73.6	Confident	70.9	Confident	125 Å²	125	132.6 Å²	132.6	47%	0.472	57%	0.566	S	S	.	*	H	α-helix	trans	-64.1	-36.2	173.9	-73	164.1	-172.8	121.4	9.5	111	E146 E147 R154	E146-R150 WeakPolarHBondContact O-CB 3.31Å; E146-R150 WeakPolarHBondContact O-CD 3.24Å; E146-R150 WeakPolarHBondContact O-CG 3.28Å; E146-R150 PolarHBondContact O-N 2.79Å; E146-R150 IonicContact OE2-CZ 2.67Å; E146-R150 IonicContact OE2-NH1 3.32Å; E146-R150 PolarHBondContact OE2-NH1 3.36Å; E146-R150 IonicContact OE2-NH2 2.98Å; E146-R150 PolarHBondContact OE2-NH2 2.97Å; E147-R150 CarbonylContact O-C 3.59Å; E147-R150 WeakPolarHBondContact O-CB 3.41Å; E147-R150 PolarHBondContact O-N 3.04Å; E147-R150 VanDerWaalsContact O-N 3.16Å; R150-R154 WeakPolarHBondContact O-CB 3.09Å; R150-R154 WeakPolarHBondContact O-CD 3.27Å; R150-R154 WeakPolarHBondContact O-CG 3.31Å; R150-R154 PolarHBondContact O-N 3.04Å
151	E	74.1	Confident	70.1	Confident	118 Å²	118	130.5 Å²	130.5	55%	0.551	56%	0.563	S	S	*	*	H	α-helix	trans	-69.4	-48.3	174.7	-171.8	155.4	-127	0	0	112	E147 L148 E149 R153 R154 E155	E147-E151 PolarHBondContact O-N 3.48Å; L148-E151 PolarHBondContact O-N 3.49Å; E149-E151 VanDerWaalsContact C-N 3.29Å; E149-E151 PolarHBondContact O-N 3Å; E151-R153 VanDerWaalsContact C-N 3.3Å; E151-R153 PolarHBondContact O-N 2.55Å; E151-R154 CarbonylContact O-C 3.6Å; E151-R154 WeakPolarHBondContact O-CA 3.39Å; E151-R154 WeakPolarHBondContact O-CB 3.21Å; E151-R154 PolarHBondContact O-N 2.94Å; E151-E155 PolarHBondContact O-N 3.02Å
152	L	70.9	Confident	69.1	Low	98 Å²	98	134.4 Å²	134.4	51%	0.513	57%	0.569	S	S	.	*	H	α-helix	trans	-59	-36.9	173.8	-78.5	162.9	0	0	0	112.9	L148 E149 R156	L148-L152 WeakPolarHBondContact O-CB 3.35Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 3.41Å; E149-L152 PolarHBondContact O-N 2.95Å; L152-R156 WeakPolarHBondContact O-CB 3.43Å; L152-R156 PolarHBondContact O-N 3.34Å
153	R	69.9	Low	67.9	Low	161 Å²	161	129.8 Å²	129.8	61%	0.608	56%	0.559	S	S	*	*	H	α-helix	trans	-69	-34.5	173.6	-70.1	170.7	-160.3	-150	9.5	112.1	E149 E151 R157	E149-R153 WeakPolarHBondContact O-CB 3.45Å; E149-R153 WeakPolarHBondContact O-CG 3.31Å; E149-R153 PolarHBondContact O-N 3.01Å; E149-R153 IonicContact OE2-CZ 3.66Å; E149-R153 IonicContact OE2-NE 3.59Å; E149-R153 IonicContact OE2-NH2 3.6Å; E149-R153 PolarHBondContact OE2-NH2 3.32Å; E151-R153 VanDerWaalsContact C-N 3.3Å; E151-R153 PolarHBondContact O-N 2.55Å; R153-R157 WeakPolarHBondContact O-CG 3.31Å; R153-R157 PolarHBondContact O-N 2.67Å; R153-R157 VanDerWaalsContact O-N 3.17Å
154	R	71.4	Confident	66.8	Low	154 Å²	154	129.8 Å²	129.8	58%	0.581	56%	0.559	S	S	*	*	H	α-helix	trans	-71.8	-38.4	173.2	-74	162.9	175.3	166.9	-1.9	112.1	R150 E151 R158	R150-R154 WeakPolarHBondContact O-CB 3.09Å; R150-R154 WeakPolarHBondContact O-CD 3.27Å; R150-R154 WeakPolarHBondContact O-CG 3.31Å; R150-R154 PolarHBondContact O-N 3.04Å; E151-R154 CarbonylContact O-C 3.6Å; E151-R154 WeakPolarHBondContact O-CA 3.39Å; E151-R154 WeakPolarHBondContact O-CB 3.21Å; E151-R154 PolarHBondContact O-N 2.94Å; R154-R158 WeakPolarHBondContact O-CG 3.38Å; R154-R158 PolarHBondContact O-N 2.87Å
155	E	67.2	Low	65.6	Low	122 Å²	122	123.5 Å²	123.5	57%	0.57	55%	0.546	S	S	*	.	H	α-helix	trans	-67.4	-44.3	176.2	-175.6	171.8	-134.6	0	0	111.3	E151 R157 R158 H159	E151-E155 PolarHBondContact O-N 3.02Å; E155-R157 PolarHBondContact O-N 3.04Å; E155-R158 WeakPolarHBondContact O-CB 3.44Å; E155-R158 PolarHBondContact O-N 3Å; E155-R158 VanDerWaalsContact O-N 3.16Å; E155-H159 PolarHBondContact O-N 3.44Å
156	R	64.4	Low	64.9	Low	183 Å²	183	116.9 Å²	116.9	69%	0.691	53%	0.533	S	S	*	.	H	α-helix	trans	-58.3	-48.2	173.7	-170	174.4	-66.1	-116.2	0.5	111.5	L152 R158 H159 D160	L152-R156 WeakPolarHBondContact O-CB 3.43Å; L152-R156 PolarHBondContact O-N 3.34Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R156-R158 PolarHBondContact O-N 3.23Å; R156-H159 WeakPolarHBondContact O-CA 3.25Å; R156-H159 WeakPolarHBondContact O-CB 3.41Å; R156-H159 PolarHBondContact O-N 3.13Å; R156-D160 PolarHBondContact O-N 3.39Å; R156-D160 VanDerWaalsContact O-OD2 3.13Å
157	R	65.3	Low	63.9	Low	175 Å²	175	122.2 Å²	122.2	66%	0.66	55%	0.55	S	S	*	*	H	α-helix	trans	-55.3	-44.7	173.1	-75.9	179.5	-179.3	-165	-1.3	112.9	R153 E155 H159 D160 E161	R153-R157 WeakPolarHBondContact O-CG 3.31Å; R153-R157 PolarHBondContact O-N 2.67Å; R153-R157 VanDerWaalsContact O-N 3.17Å; E155-R157 PolarHBondContact O-N 3.04Å; R157-H159 VanDerWaalsContact C-N 3.26Å; R157-H159 PolarHBondContact O-N 2.82Å; R157-D160 PolarHBondContact O-N 3.45Å; R157-E161 VanDerWaalsContact O-CB 3.29Å; R157-E161 WeakPolarHBondContact O-CB 3.42Å; R157-E161 WeakPolarHBondContact O-CG 3.5Å; R157-E161 PolarHBondContact O-N 3.32Å
158	R	66.3	Low	63	Low	157 Å²	157	121.7 Å²	121.7	59%	0.592	55%	0.551	S	S	*	*	H	α-helix	trans	-64.6	-27.3	175.2	-72.3	169.4	178.8	167.8	1.8	113.8	R154 E155 R156 R162	R154-R158 WeakPolarHBondContact O-CG 3.38Å; R154-R158 PolarHBondContact O-N 2.87Å; E155-R158 WeakPolarHBondContact O-CB 3.44Å; E155-R158 PolarHBondContact O-N 3Å; E155-R158 VanDerWaalsContact O-N 3.16Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R156-R158 PolarHBondContact O-N 3.23Å; R158-R162 WeakPolarHBondContact O-CB 3.48Å; R158-R162 WeakPolarHBondContact O-CD 3.3Å; R158-R162 WeakPolarHBondContact O-CG 3.29Å; R158-R162 PolarHBondContact O-N 3.31Å
159	H	64.1	Low	61.8	Low	140 Å²	140	123.2 Å²	123.2	65%	0.648	56%	0.555	S	S	*	*	H	α-helix	trans	-75.6	-42	174	-174.3	-78.9	0	0	0	110.8	E155 R156 R157 R162 G163	E155-H159 PolarHBondContact O-N 3.44Å; R156-H159 WeakPolarHBondContact O-CA 3.25Å; R156-H159 WeakPolarHBondContact O-CB 3.41Å; R156-H159 PolarHBondContact O-N 3.13Å; R157-H159 VanDerWaalsContact C-N 3.26Å; R157-H159 PolarHBondContact O-N 2.82Å; H159-R162 PolarHBondContact O-N 3.38Å; H159-G163 PolarHBondContact O-N 2.73Å
160	D	56.6	Low	61.1	Low	85 Å²	85	122.1 Å²	122.1	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-67.5	-46.1	177.6	-56.8	-30.8	0	0	0	111	R156 R157 R162 G163 E164	R156-D160 PolarHBondContact O-N 3.39Å; R156-D160 VanDerWaalsContact O-OD2 3.13Å; R157-D160 PolarHBondContact O-N 3.45Å; D160-R162 VanDerWaalsContact C-N 3.26Å; D160-R162 PolarHBondContact O-N 2.97Å; D160-G163 CarbonylContact O-C 3.55Å; D160-G163 WeakPolarHBondContact O-CA 3.46Å; D160-G163 PolarHBondContact O-N 3.4Å; D160-E164 PolarHBondContact O-N 3.09Å
161	E	55.8	Low	60.3	Low	114 Å²	114	121.2 Å²	121.2	53%	0.533	56%	0.561	S	S	.	*	H	α-helix	trans	-55.4	-37.4	171.4	-73.8	162.1	-168.4	0	0	112.3	R157 A165	R157-E161 VanDerWaalsContact O-CB 3.29Å; R157-E161 WeakPolarHBondContact O-CB 3.42Å; R157-E161 WeakPolarHBondContact O-CG 3.5Å; R157-E161 PolarHBondContact O-N 3.32Å; E161-A165 VanDerWaalsContact O-CB 3.3Å; E161-A165 WeakPolarHBondContact O-CB 3.42Å; E161-A165 PolarHBondContact O-N 3.32Å
162	R	54.4	Low	59.8	Low	201 Å²	201	121.9 Å²	121.9	76%	0.758	56%	0.561	S	S	*	*	H	α-helix	trans	-72.3	-32.9	173.6	-79.5	173.4	177.5	-132	-2.8	112.6	R158 H159 D160 G166	R158-R162 WeakPolarHBondContact O-CB 3.48Å; R158-R162 WeakPolarHBondContact O-CD 3.3Å; R158-R162 WeakPolarHBondContact O-CG 3.29Å; R158-R162 PolarHBondContact O-N 3.31Å; H159-R162 PolarHBondContact O-N 3.38Å; D160-R162 VanDerWaalsContact C-N 3.26Å; D160-R162 PolarHBondContact O-N 2.97Å; R162-G166 PolarHBondContact O-N 3.19Å
163	G	51.3	Low	59.3	Low	36 Å²	36	122.2 Å²	122.2	37%	0.371	56%	0.563	S	S	.	*	H	α-helix	trans	-65.8	-43.3	173.2	0	0	0	0	0	112.2	H159 D160 R167	H159-G163 PolarHBondContact O-N 2.73Å; D160-G163 CarbonylContact O-C 3.55Å; D160-G163 WeakPolarHBondContact O-CA 3.46Å; D160-G163 PolarHBondContact O-N 3.4Å; G163-R167 WeakPolarHBondContact O-CG 3.22Å; G163-R167 PolarHBondContact O-N 2.61Å; G163-R167 VanDerWaalsContact O-N 3.14Å
164	E	52.6	Low	58.9	Low	124 Å²	124	120.3 Å²	120.3	58%	0.579	56%	0.561	S	S	*	*	H	α-helix	trans	-67.9	-49.9	175.4	-68.2	-174.9	145.1	0	0	111.6	D160 G166 R167 D168	D160-E164 PolarHBondContact O-N 3.09Å; E164-G166 PolarHBondContact O-N 3.04Å; E164-G166 VanDerWaalsContact O-N 3.17Å; E164-R167 WeakPolarHBondContact O-CA 3.19Å; E164-R167 WeakPolarHBondContact O-CB 3.38Å; E164-R167 PolarHBondContact O-N 3.25Å; E164-D168 PolarHBondContact O-N 2.71Å
165	A	51	Low	58.5	Low	49 Å²	49	120.3 Å²	120.3	41%	0.405	56%	0.561	S	S	.	*	H	α-helix	trans	-58.3	-33.1	177	0	0	0	0	0	113.3	E161 Q169	E161-A165 VanDerWaalsContact O-CB 3.3Å; E161-A165 WeakPolarHBondContact O-CB 3.42Å; E161-A165 PolarHBondContact O-N 3.32Å; A165-Q169 WeakPolarHBondContact O-CG 3.47Å; A165-Q169 PolarHBondContact O-N 2.8Å; A165-Q169 VanDerWaalsContact O-N 3.12Å
166	G	55.1	Low	58.1	Low	39 Å²	39	119.3 Å²	119.3	40%	0.402	56%	0.556	S	S	.	*	H	α-helix	trans	-70	-36.6	172.8	0	0	0	0	0	113.6	R162 E164 A170	R162-G166 PolarHBondContact O-N 3.19Å; E164-G166 PolarHBondContact O-N 3.04Å; E164-G166 VanDerWaalsContact O-N 3.17Å; G166-A170 WeakPolarHBondContact O-CB 3.21Å; G166-A170 PolarHBondContact O-N 3.02Å; G166-A170 VanDerWaalsContact O-N 3.09Å
167	R	54.8	Low	57.9	Low	183 Å²	183	115 Å²	115	69%	0.691	55%	0.547	S	S	*	.	H	α-helix	trans	-69.6	-43.1	174.3	-71.9	170	-176.3	-176.9	1.9	111.5	G163 E164 Q169 A170 E171	G163-R167 WeakPolarHBondContact O-CG 3.22Å; G163-R167 PolarHBondContact O-N 2.61Å; G163-R167 VanDerWaalsContact O-N 3.14Å; E164-R167 WeakPolarHBondContact O-CA 3.19Å; E164-R167 WeakPolarHBondContact O-CB 3.38Å; E164-R167 PolarHBondContact O-N 3.25Å; R167-Q169 VanDerWaalsContact C-N 3.34Å; R167-Q169 PolarHBondContact O-N 2.88Å; R167-A170 PolarHBondContact O-N 2.83Å; R167-A170 VanDerWaalsContact O-N 3.13Å; R167-E171 WeakPolarHBondContact O-CB 3.09Å; R167-E171 PolarHBondContact O-N 3.5Å
168	D	55	Low	57.7	Low	111 Å²	111	114.6 Å²	114.6	59%	0.594	55%	0.545	S	S	*	.	H	α-helix	trans	-61.7	-40.8	176.5	-77.3	-2.3	0	0	0	111.9	E164 K172	E164-D168 PolarHBondContact O-N 2.71Å; D168-K172 WeakPolarHBondContact O-CB 3.22Å; D168-K172 PolarHBondContact O-N 2.89Å
169	Q	52.3	Low	57.5	Low	137 Å²	137	112.1 Å²	112.1	64%	0.64	54%	0.544	S	S	*	.	H	α-helix	trans	-65.5	-39.4	173.1	-74.8	-175.4	8.6	0	0	112.2	A165 R167 K172 L173	A165-Q169 WeakPolarHBondContact O-CG 3.47Å; A165-Q169 PolarHBondContact O-N 2.8Å; A165-Q169 VanDerWaalsContact O-N 3.12Å; R167-Q169 VanDerWaalsContact C-N 3.34Å; R167-Q169 PolarHBondContact O-N 2.88Å; Q169-K172 PolarHBondContact O-N 2.8Å; Q169-L173 WeakPolarHBondContact O-CB 3.27Å; Q169-L173 VanDerWaalsContact O-CG 3.3Å; Q169-L173 WeakPolarHBondContact O-CG 3.29Å; Q169-L173 PolarHBondContact O-N 3.04Å
170	A	56.9	Low	57.4	Low	52 Å²	52	115 Å²	115	43%	0.43	55%	0.549	S	S	.	.	H	α-helix	trans	-67.1	-45.6	176.6	0	0	0	0	0	112.6	G166 R167 L173 H174	G166-A170 WeakPolarHBondContact O-CB 3.21Å; G166-A170 PolarHBondContact O-N 3.02Å; G166-A170 VanDerWaalsContact O-N 3.09Å; R167-A170 PolarHBondContact O-N 2.83Å; R167-A170 VanDerWaalsContact O-N 3.13Å; A170-L173 PolarHBondContact O-N 3.19Å; A170-H174 WeakPolarHBondContact O-CB 3.4Å; A170-H174 PolarHBondContact O-N 3.44Å
171	E	57.8	Low	57.6	Low	107 Å²	107	117.6 Å²	117.6	50%	0.5	56%	0.558	S	S	.	*	H	α-helix	trans	-56.7	-48.3	171.7	-92.8	-108.3	132.3	0	0	111.1	R167 H174 R175	R167-E171 WeakPolarHBondContact O-CB 3.09Å; R167-E171 PolarHBondContact O-N 3.5Å; E171-H174 CarbonylContact O-C 3.59Å; E171-H174 PolarHBondContact O-N 3.1Å; E171-H174 VanDerWaalsContact O-N 3.16Å; E171-R175 WeakPolarHBondContact O-CG 3.38Å; E171-R175 PolarHBondContact O-N 2.62Å; E171-R175 IonicContact OE2-CZ 2.73Å; E171-R175 IonicContact OE2-NE 2.68Å; E171-R175 IonicContact OE2-NH2 3.51Å; E171-R175 PolarHBondContact OE2-NH2 2.89Å
172	K	63.2	Low	57.9	Low	131 Å²	131	117.6 Å²	117.6	57%	0.57	56%	0.558	S	S	*	*	H	α-helix	trans	-64.1	-44.4	-179	-174.3	174.8	177	-178.3	0	111.8	D168 Q169 H174 R175 E176	D168-K172 WeakPolarHBondContact O-CB 3.22Å; D168-K172 PolarHBondContact O-N 2.89Å; Q169-K172 PolarHBondContact O-N 2.8Å; K172-H174 VanDerWaalsContact C-N 3.31Å; K172-H174 PolarHBondContact O-N 2.94Å; K172-R175 PolarHBondContact O-N 3.29Å; K172-E176 WeakPolarHBondContact CE-OE1 3.26Å; K172-E176 WeakPolarHBondContact O-CB 3.45Å; K172-E176 WeakPolarHBondContact O-CG 3.5Å; K172-E176 PolarHBondContact O-N 2.81Å
173	L	59.4	Low	58.3	Low	105 Å²	105	116.7 Å²	116.7	55%	0.55	56%	0.555	S	S	.	*	H	α-helix	trans	-60.9	-39.6	172.3	-76.1	166.8	0	0	0	111.6	Q169 A170 E176 L177	Q169-L173 WeakPolarHBondContact O-CB 3.27Å; Q169-L173 VanDerWaalsContact O-CG 3.3Å; Q169-L173 WeakPolarHBondContact O-CG 3.29Å; Q169-L173 PolarHBondContact O-N 3.04Å; A170-L173 PolarHBondContact O-N 3.19Å; L173-E176 PolarHBondContact O-N 2.87Å; L173-L177 VanDerWaalsContact O-CB 3.31Å; L173-L177 WeakPolarHBondContact O-CB 3.25Å; L173-L177 VanDerWaalsContact O-CG 3.23Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 2.87Å
174	H	62.2	Low	58.9	Low	121 Å²	121	116.5 Å²	116.5	56%	0.56	55%	0.553	S	S	*	*	H	α-helix	trans	-67.7	-34.8	175.8	-109.8	-57.6	0	0	0	113.5	A170 E171 K172 R178	A170-H174 WeakPolarHBondContact O-CB 3.4Å; A170-H174 PolarHBondContact O-N 3.44Å; E171-H174 CarbonylContact O-C 3.59Å; E171-H174 PolarHBondContact O-N 3.1Å; E171-H174 VanDerWaalsContact O-N 3.16Å; K172-H174 VanDerWaalsContact C-N 3.31Å; K172-H174 PolarHBondContact O-N 2.94Å; H174-R178 WeakPolarHBondContact O-CG 3.24Å; H174-R178 PolarHBondContact O-N 2.82Å
175	R	62.1	Low	59.4	Low	155 Å²	155	115.1 Å²	115.1	59%	0.585	55%	0.546	S	S	*	.	H	α-helix	trans	-68.9	-49.1	171.8	-70.4	-174.7	-163.6	-177.5	8.9	111.2	E171 K172 L177 R178 D179	E171-R175 WeakPolarHBondContact O-CG 3.38Å; E171-R175 PolarHBondContact O-N 2.62Å; E171-R175 IonicContact OE2-CZ 2.73Å; E171-R175 IonicContact OE2-NE 2.68Å; E171-R175 IonicContact OE2-NH2 3.51Å; E171-R175 PolarHBondContact OE2-NH2 2.89Å; K172-R175 PolarHBondContact O-N 3.29Å; R175-L177 PolarHBondContact O-N 2.95Å; R175-R178 PolarHBondContact O-N 2.99Å; R175-R178 VanDerWaalsContact O-N 3.07Å; R175-D179 WeakPolarHBondContact O-CB 3.45Å; R175-D179 PolarHBondContact O-N 3.46Å
176	E	60.7	Low	60	Low	100 Å²	100	121.2 Å²	121.2	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-61.2	-32.3	178.1	-72.5	180	-164	0	0	112.6	K172 L173 R180	K172-E176 WeakPolarHBondContact CE-OE1 3.26Å; K172-E176 WeakPolarHBondContact O-CB 3.45Å; K172-E176 WeakPolarHBondContact O-CG 3.5Å; K172-E176 PolarHBondContact O-N 2.81Å; L173-E176 PolarHBondContact O-N 2.87Å; E176-R180 WeakPolarHBondContact O-CB 3.41Å; E176-R180 WeakPolarHBondContact O-CG 3.46Å; E176-R180 PolarHBondContact O-N 3.01Å
177	L	59.7	Low	60.3	Low	94 Å²	94	124.1 Å²	124.1	49%	0.492	56%	0.563	S	S	.	*	H	α-helix	trans	-70.2	-44.4	170.9	-75.7	168.8	0	0	0	112.7	L173 R175 R180 Q181	L173-L177 VanDerWaalsContact O-CB 3.31Å; L173-L177 WeakPolarHBondContact O-CB 3.25Å; L173-L177 VanDerWaalsContact O-CG 3.23Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 2.87Å; R175-L177 PolarHBondContact O-N 2.95Å; L177-R180 PolarHBondContact O-N 3.47Å; L177-Q181 WeakPolarHBondContact O-CG 3.43Å; L177-Q181 PolarHBondContact O-N 2.94Å
178	R	60.2	Low	61	Low	165 Å²	165	120 Å²	120	62%	0.623	56%	0.555	S	S	*	*	H	α-helix	trans	-62.7	-42.5	174.5	-75.5	179.9	-164.7	-119	7.3	111.8	H174 R175 Q181 H182	H174-R178 WeakPolarHBondContact O-CG 3.24Å; H174-R178 PolarHBondContact O-N 2.82Å; R175-R178 PolarHBondContact O-N 2.99Å; R175-R178 VanDerWaalsContact O-N 3.07Å; R178-Q181 PolarHBondContact O-N 3.49Å; R178-H182 PolarHBondContact O-N 3.16Å
179	D	63.1	Low	61.5	Low	105 Å²	105	120.3 Å²	120.3	56%	0.561	55%	0.551	S	S	*	*	H	α-helix	trans	-68.8	-34.2	178.9	-72.6	-14.8	0	0	0	111.8	R175 R183	R175-D179 WeakPolarHBondContact O-CB 3.45Å; R175-D179 PolarHBondContact O-N 3.46Å; D179-R183 WeakPolarHBondContact O-CB 3.33Å; D179-R183 PolarHBondContact O-N 2.84Å
180	R	61.7	Low	62.1	Low	201 Å²	201	122.1 Å²	122.1	76%	0.758	55%	0.552	S	S	*	*	H	α-helix	trans	-64.5	-43.8	168	-91.2	-178.4	159.7	175	-4.5	112.4	E176 L177 R183 G184	E176-R180 WeakPolarHBondContact O-CB 3.41Å; E176-R180 WeakPolarHBondContact O-CG 3.46Å; E176-R180 PolarHBondContact O-N 3.01Å; L177-R180 PolarHBondContact O-N 3.47Å; R180-R183 PolarHBondContact O-N 2.79Å; R180-G184 PolarHBondContact O-N 2.9Å
181	Q	60.5	Low	62.5	Low	139 Å²	139	126.9 Å²	126.9	65%	0.65	56%	0.559	S	S	*	*	H	α-helix	trans	-64.5	-43.1	175.9	-76.2	-177.8	-42.6	0	0	111.6	L177 R178 G184 E185	L177-Q181 WeakPolarHBondContact O-CG 3.43Å; L177-Q181 PolarHBondContact O-N 2.94Å; R178-Q181 PolarHBondContact O-N 3.49Å; Q181-G184 PolarHBondContact O-N 3.48Å; Q181-E185 PolarHBondContact O-N 2.94Å
182	H	62	Low	63.1	Low	114 Å²	114	127 Å²	127	53%	0.528	56%	0.562	S	S	.	*	H	α-helix	trans	-65.2	-38.1	175.7	-96.8	-51.4	0	0	0	112.9	R178 Y186	R178-H182 PolarHBondContact O-N 3.16Å; H182-Y186 WeakPolarHBondContact O-CB 3.49Å; H182-Y186 PolarHBondContact O-N 2.78Å
183	R	62	Low	63.4	Low	183 Å²	183	128 Å²	128	69%	0.691	57%	0.567	S	S	*	*	H	α-helix	trans	-62.9	-45.8	169.7	-86.3	-170.1	175.7	-128.5	5.4	112.1	D179 R180 Y186 E187	D179-R183 WeakPolarHBondContact O-CB 3.33Å; D179-R183 PolarHBondContact O-N 2.84Å; R180-R183 PolarHBondContact O-N 2.79Å; R183-Y186 PolarHBondContact O-N 2.88Å; R183-Y186 VanDerWaalsContact O-N 3.16Å; R183-E187 PolarHBondContact O-N 2.81Å
184	G	64.9	Low	63.9	Low	32 Å²	32	127.1 Å²	127.1	33%	0.33	56%	0.563	S	S	.	*	H	α-helix	trans	-56.4	-52.2	176.7	0	0	0	0	0	111.6	R180 Q181 Y186 E187 D188	R180-G184 PolarHBondContact O-N 2.9Å; Q181-G184 PolarHBondContact O-N 3.48Å; G184-Y186 VanDerWaalsContact C-N 3.32Å; G184-Y186 PolarHBondContact O-N 3.03Å; G184-E187 PolarHBondContact O-N 2.83Å; G184-D188 PolarHBondContact O-N 2.82Å
185	E	62.5	Low	64.3	Low	94 Å²	94	124.7 Å²	124.7	44%	0.439	56%	0.556	S	S	.	*	H	α-helix	trans	-59.3	-38.7	174.5	-78	-164.8	-167	0	0	113.1	Q181 K189	Q181-E185 PolarHBondContact O-N 2.94Å; E185-K189 HydrophobicContact CB-CD 4.48Å; E185-K189 WeakPolarHBondContact O-CB 3.49Å; E185-K189 VanDerWaalsContact O-CD 3.29Å; E185-K189 WeakPolarHBondContact O-CD 3.26Å; E185-K189 WeakPolarHBondContact O-CG 3.42Å; E185-K189 PolarHBondContact O-N 2.74Å; E185-K189 IonicContact OE2-NZ 3.58Å; E185-K189 PolarHBondContact OE2-NZ 3.43Å
186	Y	63.3	Low	64.5	Low	178 Å²	178	122.3 Å²	122.3	70%	0.698	55%	0.552	S	S	*	*	H	α-helix	trans	-69	-36.3	177.5	-105.7	-84.2	0	0	0	112.7	H182 R183 G184 R190	H182-Y186 WeakPolarHBondContact O-CB 3.49Å; H182-Y186 PolarHBondContact O-N 2.78Å; R183-Y186 PolarHBondContact O-N 2.88Å; R183-Y186 VanDerWaalsContact O-N 3.16Å; G184-Y186 VanDerWaalsContact C-N 3.32Å; G184-Y186 PolarHBondContact O-N 3.03Å; Y186-R190 VanDerWaalsContact O-CB 3.28Å; Y186-R190 WeakPolarHBondContact O-CB 3.27Å; Y186-R190 PolarHBondContact O-N 3.39Å; Y186-R190 VanDerWaalsContact O-N 3.1Å
187	E	62.7	Low	64.6	Low	100 Å²	100	122.1 Å²	122.1	47%	0.467	55%	0.551	S	S	.	*	H	α-helix	trans	-73.5	-40.3	175.4	-74.3	-169.9	-153.7	0	0	111.9	R183 G184 R190 R191	R183-E187 PolarHBondContact O-N 2.81Å; G184-E187 PolarHBondContact O-N 2.83Å; E187-R190 CarbonylContact O-C 3.57Å; E187-R190 WeakPolarHBondContact O-CB 3.49Å; E187-R190 PolarHBondContact O-N 2.9Å; E187-R190 VanDerWaalsContact O-N 3.16Å; E187-R191 WeakPolarHBondContact O-CG 3.5Å; E187-R191 PolarHBondContact O-N 3.4Å
188	D	67.8	Low	65	Low	96 Å²	96	124 Å²	124	51%	0.513	56%	0.557	S	S	.	*	H	α-helix	trans	-68.1	-43	174.7	-76.1	-23.8	0	0	0	111.6	G184 R190 R191 D192	G184-D188 PolarHBondContact O-N 2.82Å; D188-R190 PolarHBondContact O-N 3.17Å; D188-R190 VanDerWaalsContact O-N 3.15Å; D188-R191 PolarHBondContact O-N 2.98Å; D188-D192 WeakPolarHBondContact O-CB 3.49Å; D188-D192 PolarHBondContact O-N 3.48Å
189	K	66.9	Low	65.4	Low	118 Å²	118	124.3 Å²	124.3	51%	0.513	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-16.8	171.9	-70.5	164.4	-175.8	168.6	0	113	E185 K193	E185-K189 HydrophobicContact CB-CD 4.48Å; E185-K189 WeakPolarHBondContact O-CB 3.49Å; E185-K189 VanDerWaalsContact O-CD 3.29Å; E185-K189 WeakPolarHBondContact O-CD 3.26Å; E185-K189 WeakPolarHBondContact O-CG 3.42Å; E185-K189 PolarHBondContact O-N 2.74Å; E185-K189 IonicContact OE2-NZ 3.58Å; E185-K189 PolarHBondContact OE2-NZ 3.43Å; K189-K193 WeakPolarHBondContact O-CG 3.25Å
190	R	64.3	Low	65.7	Low	175 Å²	175	126.2 Å²	126.2	66%	0.66	56%	0.557	S	S	*	*	H	α-helix	trans	-85	-47.4	170.7	-167.5	175.8	-172.3	173.8	3.3	111	Y186 E187 D188 D192 K193 D194	Y186-R190 VanDerWaalsContact O-CB 3.28Å; Y186-R190 WeakPolarHBondContact O-CB 3.27Å; Y186-R190 PolarHBondContact O-N 3.39Å; Y186-R190 VanDerWaalsContact O-N 3.1Å; E187-R190 CarbonylContact O-C 3.57Å; E187-R190 WeakPolarHBondContact O-CB 3.49Å; E187-R190 PolarHBondContact O-N 2.9Å; E187-R190 VanDerWaalsContact O-N 3.16Å; D188-R190 PolarHBondContact O-N 3.17Å; D188-R190 VanDerWaalsContact O-N 3.15Å; R190-D192 VanDerWaalsContact C-N 3.34Å; R190-D192 PolarHBondContact O-N 2.99Å; R190-K193 WeakPolarHBondContact O-CA 3.36Å; R190-K193 WeakPolarHBondContact O-CB 3.39Å; R190-K193 PolarHBondContact O-N 3.37Å; R190-D194 VanDerWaalsContact O-CG 3.23Å; R190-D194 PolarHBondContact O-N 3.49Å
191	R	66	Low	65.9	Low	152 Å²	152	123.9 Å²	123.9	57%	0.574	55%	0.549	S	S	*	.	H	α-helix	trans	-57.1	-43.7	173.7	-70.1	174.1	-172.3	-150.8	4.7	112.1	E187 D188 K193 D194 V195	E187-R191 WeakPolarHBondContact O-CG 3.5Å; E187-R191 PolarHBondContact O-N 3.4Å; D188-R191 PolarHBondContact O-N 2.98Å; R191-K193 VanDerWaalsContact C-N 3.3Å; R191-K193 PolarHBondContact O-N 3.13Å; R191-D194 PolarHBondContact O-N 3.22Å; R191-V195 WeakPolarHBondContact O-CB 3.37Å; R191-V195 VanDerWaalsContact O-CG2 3.28Å; R191-V195 WeakPolarHBondContact O-CG2 3.24Å; R191-V195 PolarHBondContact O-N 3.03Å
192	D	70.8	Confident	66.3	Low	109 Å²	109	120.6 Å²	120.6	58%	0.583	54%	0.541	S	S	*	.	H	α-helix	trans	-63.3	-34.5	175.4	-93.6	-8.5	0	0	0	112.6	D188 R190 Q196	D188-D192 WeakPolarHBondContact O-CB 3.49Å; D188-D192 PolarHBondContact O-N 3.48Å; R190-D192 VanDerWaalsContact C-N 3.34Å; R190-D192 PolarHBondContact O-N 2.99Å; D192-Q196 VanDerWaalsContact O-CB 3.31Å; D192-Q196 WeakPolarHBondContact O-CB 3.47Å; D192-Q196 VanDerWaalsContact O-CG 3.3Å; D192-Q196 WeakPolarHBondContact O-CG 3.34Å; D192-Q196 PolarHBondContact O-N 3.11Å
193	K	68.8	Low	66.5	Low	152 Å²	152	121.1 Å²	121.1	66%	0.661	54%	0.544	S	S	*	.	H	α-helix	trans	-69.6	-45.2	172.5	-81.6	177.4	177.9	177.1	0	111.7	K189 R190 R191 Q196 E197	K189-K193 WeakPolarHBondContact O-CG 3.25Å; R190-K193 WeakPolarHBondContact O-CA 3.36Å; R190-K193 WeakPolarHBondContact O-CB 3.39Å; R190-K193 PolarHBondContact O-N 3.37Å; R191-K193 VanDerWaalsContact C-N 3.3Å; R191-K193 PolarHBondContact O-N 3.13Å; K193-Q196 CarbonylContact O-C 3.56Å; K193-Q196 PolarHBondContact O-N 3.49Å; K193-E197 PolarHBondContact O-N 3.12Å
194	D	69	Low	66.7	Low	86 Å²	86	121.9 Å²	121.9	46%	0.46	55%	0.547	S	S	.	.	H	α-helix	trans	-63.6	-42.8	179.8	-62.2	-26.3	0	0	0	110.3	R190 R191 E197 E198	R190-D194 VanDerWaalsContact O-CG 3.23Å; R190-D194 PolarHBondContact O-N 3.49Å; R191-D194 PolarHBondContact O-N 3.22Å; D194-E197 PolarHBondContact O-N 3.27Å; D194-E197 VanDerWaalsContact O-N 3.17Å; D194-E198 PolarHBondContact O-N 3.15Å
195	V	70.9	Confident	67	Low	70 Å²	70	126.2 Å²	126.2	42%	0.424	56%	0.561	S	S	.	*	H	α-helix	trans	-66.7	-38.1	173.5	171.2	0	0	0	0	112.2	R191 E197 R199	R191-V195 WeakPolarHBondContact O-CB 3.37Å; R191-V195 VanDerWaalsContact O-CG2 3.28Å; R191-V195 WeakPolarHBondContact O-CG2 3.24Å; R191-V195 PolarHBondContact O-N 3.03Å; V195-E197 VanDerWaalsContact C-N 3.32Å; V195-R199 WeakPolarHBondContact O-CB 3.49Å; V195-R199 WeakPolarHBondContact O-CG 3.16Å; V195-R199 PolarHBondContact O-N 2.96Å
196	Q	66.2	Low	67.1	Low	105 Å²	105	127 Å²	127	49%	0.491	57%	0.565	S	S	.	*	H	α-helix	trans	-65.5	-34.9	170.4	-81.7	-169.4	30.3	0	0	112.2	D192 K193 R200	D192-Q196 VanDerWaalsContact O-CB 3.31Å; D192-Q196 WeakPolarHBondContact O-CB 3.47Å; D192-Q196 VanDerWaalsContact O-CG 3.3Å; D192-Q196 WeakPolarHBondContact O-CG 3.34Å; D192-Q196 PolarHBondContact O-N 3.11Å; K193-Q196 CarbonylContact O-C 3.56Å; K193-Q196 PolarHBondContact O-N 3.49Å; Q196-R200 WeakPolarHBondContact O-CB 3.17Å; Q196-R200 WeakPolarHBondContact O-CD 3.22Å; Q196-R200 WeakPolarHBondContact O-CG 3.38Å; Q196-R200 PolarHBondContact O-N 2.86Å
197	E	64.1	Low	67	Low	96 Å²	96	122 Å²	122	45%	0.449	55%	0.55	S	S	.	*	H	α-helix	trans	-73.9	-39.1	177.3	-146.6	-166.7	120.8	0	0	111.8	K193 D194 V195 R200 R201	K193-E197 PolarHBondContact O-N 3.12Å; D194-E197 PolarHBondContact O-N 3.27Å; D194-E197 VanDerWaalsContact O-N 3.17Å; V195-E197 VanDerWaalsContact C-N 3.32Å; E197-R200 PolarHBondContact O-N 3.26Å; E197-R201 WeakPolarHBondContact O-CB 3.38Å; E197-R201 WeakPolarHBondContact O-CG 3.47Å; E197-R201 PolarHBondContact O-N 2.99Å; E197-R201 IonicContact OE1-CZ 2.93Å; E197-R201 IonicContact OE1-NE 3.56Å; E197-R201 PolarHBondContact OE1-NE 3.47Å; E197-R201 IonicContact OE1-NH2 3.71Å; E197-R201 PolarHBondContact OE1-NH2 3.05Å
198	E	66.9	Low	67.1	Low	133 Å²	133	119.3 Å²	119.3	62%	0.621	55%	0.548	S	S	*	.	H	α-helix	trans	-61	-41.6	170.1	-76.9	-155.6	128.8	0	0	112.4	D194 R201 S202	D194-E198 PolarHBondContact O-N 3.15Å; E198-R201 PolarHBondContact O-N 3.31Å; E198-S202 WeakPolarHBondContact O-CB 3.25Å; E198-S202 PolarHBondContact O-N 3.12Å; E198-S202 PolarHBondContact O-OG 3.21Å
199	R	69.7	Low	66.8	Low	172 Å²	172	117.4 Å²	117.4	65%	0.649	55%	0.546	S	S	*	.	H	α-helix	trans	-61.7	-47.3	172.8	-77.4	-175.1	179.2	-161.2	1.8	111.4	V195 R201 S202 E203	V195-R199 WeakPolarHBondContact O-CB 3.49Å; V195-R199 WeakPolarHBondContact O-CG 3.16Å; V195-R199 PolarHBondContact O-N 2.96Å; R199-R201 VanDerWaalsContact C-N 3.31Å; R199-R201 PolarHBondContact O-N 3.12Å; R199-S202 WeakPolarHBondContact O-CB 3.29Å; R199-S202 PolarHBondContact O-N 3.25Å; R199-S202 VanDerWaalsContact O-N 3.16Å; R199-E203 WeakPolarHBondContact O-CB 3.47Å; R199-E203 WeakPolarHBondContact O-CG 3.39Å; R199-E203 PolarHBondContact O-N 3.39Å
200	R	68.1	Low	66.6	Low	145 Å²	145	119.3 Å²	119.3	55%	0.547	55%	0.55	S	S	.	*	H	α-helix	trans	-64.8	-31.9	177.1	-72.5	168.9	-176.9	179.8	6.1	113	Q196 E197 R204	Q196-R200 WeakPolarHBondContact O-CB 3.17Å; Q196-R200 WeakPolarHBondContact O-CD 3.22Å; Q196-R200 WeakPolarHBondContact O-CG 3.38Å; Q196-R200 PolarHBondContact O-N 2.86Å; E197-R200 PolarHBondContact O-N 3.26Å; R200-R204 WeakPolarHBondContact O-CB 3.43Å; R200-R204 WeakPolarHBondContact O-CG 3.38Å; R200-R204 PolarHBondContact O-N 2.9Å; R200-R204 VanDerWaalsContact O-N 3.09Å
201	R	66	Low	66.4	Low	153 Å²	153	117.3 Å²	117.3	58%	0.577	55%	0.546	S	S	*	.	H	α-helix	trans	-69	-44.4	171.8	-73.6	170.2	-177.6	-149.7	5.6	110.5	E197 E198 R199 R204 I205	E197-R201 WeakPolarHBondContact O-CB 3.38Å; E197-R201 WeakPolarHBondContact O-CG 3.47Å; E197-R201 PolarHBondContact O-N 2.99Å; E197-R201 IonicContact OE1-CZ 2.93Å; E197-R201 IonicContact OE1-NE 3.56Å; E197-R201 PolarHBondContact OE1-NE 3.47Å; E197-R201 IonicContact OE1-NH2 3.71Å; E197-R201 PolarHBondContact OE1-NH2 3.05Å; E198-R201 PolarHBondContact O-N 3.31Å; R199-R201 VanDerWaalsContact C-N 3.31Å; R199-R201 PolarHBondContact O-N 3.12Å; R201-R204 PolarHBondContact O-N 3.45Å; R201-I205 WeakPolarHBondContact O-CD1 3.41Å; R201-I205 VanDerWaalsContact O-CG1 3.27Å; R201-I205 WeakPolarHBondContact O-CG1 3.46Å; R201-I205 PolarHBondContact O-N 2.88Å
202	S	68.4	Low	66.1	Low	69 Å²	69	111.6 Å²	111.6	48%	0.483	53%	0.534	S	S	.	.	H	α-helix	trans	-63.3	-46.3	176.9	-57.1	0	0	0	0	112.2	E198 R199 R204 I205 E206	E198-S202 WeakPolarHBondContact O-CB 3.25Å; E198-S202 PolarHBondContact O-N 3.12Å; E198-S202 PolarHBondContact O-OG 3.21Å; R199-S202 WeakPolarHBondContact O-CB 3.29Å; R199-S202 PolarHBondContact O-N 3.25Å; R199-S202 VanDerWaalsContact O-N 3.16Å; S202-R204 VanDerWaalsContact C-N 3.34Å; S202-R204 PolarHBondContact O-N 3.39Å; S202-I205 WeakPolarHBondContact O-CB 3.19Å; S202-I205 PolarHBondContact O-N 2.98Å; S202-I205 VanDerWaalsContact O-N 3.09Å; S202-E206 PolarHBondContact O-N 2.97Å
203	E	67.7	Low	65.7	Low	125 Å²	125	110.2 Å²	110.2	58%	0.584	53%	0.527	S	S	*	.	H	α-helix	trans	-58.6	-43.5	173.3	-73.4	169.5	174.3	0	0	111.2	R199 I205 E206 D207	R199-E203 WeakPolarHBondContact O-CB 3.47Å; R199-E203 WeakPolarHBondContact O-CG 3.39Å; R199-E203 PolarHBondContact O-N 3.39Å; E203-I205 VanDerWaalsContact C-N 3.31Å; E203-I205 PolarHBondContact O-N 2.8Å; E203-E206 PolarHBondContact O-N 3.32Å; E203-D207 VanDerWaalsContact O-CB 3.27Å; E203-D207 WeakPolarHBondContact O-CB 3.41Å; E203-D207 PolarHBondContact O-N 3.19Å
204	R	65.9	Low	65.3	Low	200 Å²	200	109.8 Å²	109.8	76%	0.755	53%	0.527	S	S	*	.	H	α-helix	trans	-65.2	-31	174.5	-77.7	174.3	176.4	-161.2	-0.2	113.4	R200 R201 S202 G208	R200-R204 WeakPolarHBondContact O-CB 3.43Å; R200-R204 WeakPolarHBondContact O-CG 3.38Å; R200-R204 PolarHBondContact O-N 2.9Å; R200-R204 VanDerWaalsContact O-N 3.09Å; R201-R204 PolarHBondContact O-N 3.45Å; S202-R204 VanDerWaalsContact C-N 3.34Å; S202-R204 PolarHBondContact O-N 3.39Å; R204-G208 PolarHBondContact O-N 3.15Å
205	I	70.5	Confident	65	Low	123 Å²	123	114.6 Å²	114.6	63%	0.631	54%	0.539	S	S	*	.	H	α-helix	trans	-72.9	-44.5	175.1	-70.7	162.1	0	0	0	110.2	R201 S202 E203 G208 A209	R201-I205 WeakPolarHBondContact O-CD1 3.41Å; R201-I205 VanDerWaalsContact O-CG1 3.27Å; R201-I205 WeakPolarHBondContact O-CG1 3.46Å; R201-I205 PolarHBondContact O-N 2.88Å; S202-I205 WeakPolarHBondContact O-CB 3.19Å; S202-I205 PolarHBondContact O-N 2.98Å; S202-I205 VanDerWaalsContact O-N 3.09Å; E203-I205 VanDerWaalsContact C-N 3.31Å; E203-I205 PolarHBondContact O-N 2.8Å; I205-G208 PolarHBondContact O-N 3Å; I205-A209 WeakPolarHBondContact O-CB 3.28Å; I205-A209 PolarHBondContact O-N 3.03Å
206	E	65.4	Low	64.6	Low	111 Å²	111	119.4 Å²	119.4	52%	0.519	55%	0.549	S	S	.	.	H	α-helix	trans	-62.1	-47.1	173.2	-76.9	-147.5	157.8	0	0	112.1	S202 E203 G208 A209 R210	S202-E206 PolarHBondContact O-N 2.97Å; E203-E206 PolarHBondContact O-N 3.32Å; E206-G208 VanDerWaalsContact C-N 3.26Å; E206-G208 PolarHBondContact O-N 3.44Å; E206-A209 PolarHBondContact O-N 3.01Å; E206-A209 VanDerWaalsContact O-N 3.16Å; E206-R210 WeakPolarHBondContact O-CB 3.31Å; E206-R210 WeakPolarHBondContact O-CG 3.47Å; E206-R210 PolarHBondContact O-N 3.06Å; E206-R210 IonicContact OE2-CZ 3.27Å; E206-R210 IonicContact OE2-NE 2.81Å; E206-R210 IonicContact OE2-NH2 2.72Å; E206-R210 PolarHBondContact OE2-NH2 2.98Å
207	D	61.8	Low	64.5	Low	73 Å²	73	120 Å²	120	39%	0.39	56%	0.555	S	S	.	*	H	α-helix	trans	-68.2	-30.3	-179.1	-143.9	48.8	0	0	0	111.3	E203 K211	E203-D207 VanDerWaalsContact O-CB 3.27Å; E203-D207 WeakPolarHBondContact O-CB 3.41Å; E203-D207 PolarHBondContact O-N 3.19Å; D207-K211 VanDerWaalsContact O-CB 3.29Å; D207-K211 WeakPolarHBondContact O-CB 3.39Å; D207-K211 WeakPolarHBondContact O-CD 3.33Å; D207-K211 VanDerWaalsContact O-CG 3.28Å; D207-K211 WeakPolarHBondContact O-CG 3.35Å; D207-K211 PolarHBondContact O-N 3.09Å; D207-K211 IonicContact OD2-NZ 2.8Å; D207-K211 PolarHBondContact OD2-NZ 3.04Å
208	G	63.2	Low	64.5	Low	42 Å²	42	121.8 Å²	121.8	43%	0.433	56%	0.562	S	S	.	*	H	α-helix	trans	-64.8	-46	168.1	0	0	0	0	0	112.9	R204 I205 E206 K211 G212	R204-G208 PolarHBondContact O-N 3.15Å; I205-G208 PolarHBondContact O-N 3Å; E206-G208 VanDerWaalsContact C-N 3.26Å; E206-G208 PolarHBondContact O-N 3.44Å; G208-K211 PolarHBondContact O-N 3.31Å; G208-G212 PolarHBondContact O-N 3.29Å
209	A	63.1	Low	64.3	Low	56 Å²	56	119.9 Å²	119.9	46%	0.463	55%	0.553	S	S	.	*	H	α-helix	trans	-63.8	-48	175.9	0	0	0	0	0	111.6	I205 E206 K211 G212 D213	I205-A209 WeakPolarHBondContact O-CB 3.28Å; I205-A209 PolarHBondContact O-N 3.03Å; E206-A209 PolarHBondContact O-N 3.01Å; E206-A209 VanDerWaalsContact O-N 3.16Å; A209-K211 VanDerWaalsContact C-N 3.34Å; A209-K211 PolarHBondContact O-N 2.81Å; A209-G212 CarbonylContact O-C 3.47Å; A209-G212 WeakPolarHBondContact O-CA 3.24Å; A209-G212 PolarHBondContact O-N 3Å; A209-D213 PolarHBondContact O-N 2.68Å
210	R	61.9	Low	64	Low	159 Å²	159	116.2 Å²	116.2	60%	0.6	54%	0.543	S	S	*	.	H	α-helix	trans	-58.2	-42.9	176.3	-68	168.2	-170.8	-157.3	4.6	111.6	E206 H214	E206-R210 WeakPolarHBondContact O-CB 3.31Å; E206-R210 WeakPolarHBondContact O-CG 3.47Å; E206-R210 PolarHBondContact O-N 3.06Å; E206-R210 IonicContact OE2-CZ 3.27Å; E206-R210 IonicContact OE2-NE 2.81Å; E206-R210 IonicContact OE2-NH2 2.72Å; E206-R210 PolarHBondContact OE2-NH2 2.98Å; R210-H214 VanDerWaalsContact O-CB 3.26Å; R210-H214 WeakPolarHBondContact O-CB 3.31Å; R210-H214 PolarHBondContact O-N 3.16Å
211	K	60.1	Low	63.7	Low	132 Å²	132	111.2 Å²	111.2	57%	0.574	54%	0.536	S	S	*	.	H	α-helix	trans	-69.6	-32.1	173.6	-76.5	165.8	178.6	148.7	0	113	D207 G208 A209 R215	D207-K211 VanDerWaalsContact O-CB 3.29Å; D207-K211 WeakPolarHBondContact O-CB 3.39Å; D207-K211 WeakPolarHBondContact O-CD 3.33Å; D207-K211 VanDerWaalsContact O-CG 3.28Å; D207-K211 WeakPolarHBondContact O-CG 3.35Å; D207-K211 PolarHBondContact O-N 3.09Å; D207-K211 IonicContact OD2-NZ 2.8Å; D207-K211 PolarHBondContact OD2-NZ 3.04Å; G208-K211 PolarHBondContact O-N 3.31Å; A209-K211 VanDerWaalsContact C-N 3.34Å; A209-K211 PolarHBondContact O-N 2.81Å; K211-R215 WeakPolarHBondContact O-CB 3.41Å; K211-R215 PolarHBondContact O-N 2.87Å
212	G	60	Low	63.5	Low	32 Å²	32	109.3 Å²	109.3	33%	0.33	53%	0.534	S	S	.	.	H	α-helix	trans	-63.5	-51.7	173.7	0	0	0	0	0	112.4	G208 A209 R215 R216	G208-G212 PolarHBondContact O-N 3.29Å; A209-G212 CarbonylContact O-C 3.47Å; A209-G212 WeakPolarHBondContact O-CA 3.24Å; A209-G212 PolarHBondContact O-N 3Å; G212-R215 WeakPolarHBondContact O-CB 3.38Å; G212-R215 PolarHBondContact O-N 2.94Å; G212-R216 WeakPolarHBondContact O-CG 3.29Å; G212-R216 PolarHBondContact O-N 2.78Å
213	D	62.1	Low	63.1	Low	80 Å²	80	113.5 Å²	113.5	43%	0.428	54%	0.539	S	S	.	.	H	α-helix	trans	-71.7	-33	178.6	-72.9	-25	0	0	0	112.3	A209 R215 R216 L217	A209-D213 PolarHBondContact O-N 2.68Å; D213-R215 VanDerWaalsContact C-N 3.32Å; D213-R215 PolarHBondContact O-N 3.37Å; D213-R216 PolarHBondContact O-N 3.13Å; D213-R216 WeakPolarHBondContact OD1-CD 3.31Å; D213-R216 IonicContact OD1-NH1 3.35Å; D213-R216 PolarHBondContact OD1-NH1 2.88Å; D213-R216 VanDerWaalsContact OD1-NH1 3.1Å; D213-L217 WeakPolarHBondContact O-CB 3.49Å; D213-L217 WeakPolarHBondContact O-CG 3.49Å; D213-L217 PolarHBondContact O-N 3.5Å
214	H	60	Low	62.7	Low	144 Å²	144	115 Å²	115	67%	0.667	54%	0.539	S	S	*	.	H	α-helix	trans	-67.6	-31.6	172.2	-153.8	42.5	0	0	0	112.3	R210 K218	R210-H214 VanDerWaalsContact O-CB 3.26Å; R210-H214 WeakPolarHBondContact O-CB 3.31Å; R210-H214 PolarHBondContact O-N 3.16Å; H214-K218 WeakPolarHBondContact O-CB 3.39Å; H214-K218 PolarHBondContact O-N 3.31Å; H214-K218 VanDerWaalsContact O-N 3.11Å
215	R	62.9	Low	62.3	Low	187 Å²	187	110.3 Å²	110.3	71%	0.706	53%	0.526	S	S	*	.	H	α-helix	trans	-65.4	-47.6	166	-93.6	-173.2	171	175.7	-3	112	K211 G212 D213 L217 K218 E219	K211-R215 WeakPolarHBondContact O-CB 3.41Å; K211-R215 PolarHBondContact O-N 2.87Å; G212-R215 WeakPolarHBondContact O-CB 3.38Å; G212-R215 PolarHBondContact O-N 2.94Å; D213-R215 VanDerWaalsContact C-N 3.32Å; D213-R215 PolarHBondContact O-N 3.37Å; R215-L217 PolarHBondContact O-N 2.95Å; R215-K218 CarbonylContact O-C 3.59Å; R215-K218 PolarHBondContact O-N 2.99Å; R215-K218 VanDerWaalsContact O-N 3.13Å; R215-E219 PolarHBondContact O-N 3.12Å
216	R	61.6	Low	61.7	Low	170 Å²	170	111.6 Å²	111.6	64%	0.642	53%	0.527	S	S	*	.	H	α-helix	trans	-59.1	-45.3	178.4	-74.5	168.8	165.8	174.4	-7	112.4	G212 D213 K218 E219 E220	G212-R216 WeakPolarHBondContact O-CG 3.29Å; G212-R216 PolarHBondContact O-N 2.78Å; D213-R216 PolarHBondContact O-N 3.13Å; D213-R216 WeakPolarHBondContact OD1-CD 3.31Å; D213-R216 IonicContact OD1-NH1 3.35Å; D213-R216 PolarHBondContact OD1-NH1 2.88Å; D213-R216 VanDerWaalsContact OD1-NH1 3.1Å; R216-K218 VanDerWaalsContact C-N 3.31Å; R216-K218 PolarHBondContact O-N 2.84Å; R216-E219 PolarHBondContact O-N 3.11Å; R216-E220 PolarHBondContact O-N 2.81Å
217	L	65.7	Low	61.2	Low	117 Å²	117	112.4 Å²	112.4	61%	0.613	53%	0.531	S	S	*	.	H	α-helix	trans	-62.6	-37.4	175.2	-72.2	167.6	0	0	0	112	D213 R215 G221	D213-L217 WeakPolarHBondContact O-CB 3.49Å; D213-L217 WeakPolarHBondContact O-CG 3.49Å; D213-L217 PolarHBondContact O-N 3.5Å; R215-L217 PolarHBondContact O-N 2.95Å; L217-G221 PolarHBondContact O-N 2.88Å
218	K	63	Low	60.9	Low	135 Å²	135	117.9 Å²	117.9	59%	0.587	55%	0.546	S	S	*	.	H	α-helix	trans	-70.1	-40.8	174.4	-174.3	170.4	174.3	175.7	0	112.2	H214 R215 R216 G221 E222	H214-K218 WeakPolarHBondContact O-CB 3.39Å; H214-K218 PolarHBondContact O-N 3.31Å; H214-K218 VanDerWaalsContact O-N 3.11Å; R215-K218 CarbonylContact O-C 3.59Å; R215-K218 PolarHBondContact O-N 2.99Å; R215-K218 VanDerWaalsContact O-N 3.13Å; R216-K218 VanDerWaalsContact C-N 3.31Å; R216-K218 PolarHBondContact O-N 2.84Å; K218-G221 PolarHBondContact O-N 2.92Å; K218-E222 WeakPolarHBondContact CE-OE1 3.14Å; K218-E222 IonicContact NZ-OE1 2.67Å; K218-E222 WeakPolarHBondContact O-CB 3.36Å; K218-E222 WeakPolarHBondContact O-CG 3.19Å; K218-E222 PolarHBondContact O-N 3.29Å
219	E	63.4	Low	60.4	Low	92 Å²	92	122.8 Å²	122.8	43%	0.43	55%	0.551	S	S	.	*	H	α-helix	trans	-66.8	-39.4	175.4	-76.3	-177.3	-142.1	0	0	112.4	R215 R216 R223	R215-E219 PolarHBondContact O-N 3.12Å; R216-E219 PolarHBondContact O-N 3.11Å; E219-R223 WeakPolarHBondContact O-CB 3.26Å; E219-R223 WeakPolarHBondContact O-CG 3.42Å; E219-R223 PolarHBondContact O-N 2.73Å; E219-R223 IonicContact OE2-NH2 3.73Å; E219-R223 PolarHBondContact OE2-NH2 3.26Å
220	E	63.4	Low	59.9	Low	96 Å²	96	126 Å²	126	45%	0.449	56%	0.557	S	S	.	*	H	α-helix	trans	-63.1	-44.4	169.2	-80.5	-146.8	174.7	0	0	111.8	R216 E222 R223 R224	R216-E220 PolarHBondContact O-N 2.81Å; E220-E222 VanDerWaalsContact C-N 3.34Å; E220-E222 PolarHBondContact O-N 3.02Å; E220-R223 PolarHBondContact O-N 3Å; E220-R224 WeakPolarHBondContact O-CB 3.3Å; E220-R224 VanDerWaalsContact O-CG 3.26Å; E220-R224 WeakPolarHBondContact O-CG 3.46Å; E220-R224 PolarHBondContact O-N 3.04Å; E220-R224 IonicContact OE2-CZ 2.79Å; E220-R224 IonicContact OE2-NE 2.94Å; E220-R224 IonicContact OE2-NH2 3.08Å; E220-R224 PolarHBondContact OE2-NH2 2.72Å
221	G	61.8	Low	59.4	Low	39 Å²	39	123.8 Å²	123.8	40%	0.402	55%	0.553	S	S	.	*	H	α-helix	trans	-57.5	-46.5	176	0	0	0	0	0	112	L217 K218 H225	L217-G221 PolarHBondContact O-N 2.88Å; K218-G221 PolarHBondContact O-N 2.92Å; G221-H225 VanDerWaalsContact O-CB 3.28Å; G221-H225 WeakPolarHBondContact O-CB 3.48Å; G221-H225 PolarHBondContact O-N 2.86Å
222	E	61.4	Low	59	Low	113 Å²	113	121.8 Å²	121.8	53%	0.528	55%	0.549	S	S	.	.	H	α-helix	trans	-69	-37.2	177.7	-74.2	179.9	-164.5	0	0	112.5	K218 E220 H225 K226	K218-E222 WeakPolarHBondContact CE-OE1 3.14Å; K218-E222 IonicContact NZ-OE1 2.67Å; K218-E222 WeakPolarHBondContact O-CB 3.36Å; K218-E222 WeakPolarHBondContact O-CG 3.19Å; K218-E222 PolarHBondContact O-N 3.29Å; E220-E222 VanDerWaalsContact C-N 3.34Å; E220-E222 PolarHBondContact O-N 3.02Å; E222-H225 PolarHBondContact O-N 3.17Å; E222-K226 WeakPolarHBondContact O-CB 3.45Å; E222-K226 PolarHBondContact O-N 2.96Å
223	R	59.7	Low	58.6	Low	157 Å²	157	126.5 Å²	126.5	59%	0.592	56%	0.562	S	S	*	*	H	α-helix	trans	-61.5	-53.3	172	-74	170	-159.7	-157.7	8.5	111.3	E219 E220 H225 K226 E227	E219-R223 WeakPolarHBondContact O-CB 3.26Å; E219-R223 WeakPolarHBondContact O-CG 3.42Å; E219-R223 PolarHBondContact O-N 2.73Å; E219-R223 IonicContact OE2-NH2 3.73Å; E219-R223 PolarHBondContact OE2-NH2 3.26Å; E220-R223 PolarHBondContact O-N 3Å; R223-H225 PolarHBondContact O-N 2.95Å; R223-K226 WeakPolarHBondContact O-CA 3.32Å; R223-K226 WeakPolarHBondContact O-CB 3.48Å; R223-K226 PolarHBondContact O-N 2.61Å; R223-E227 WeakPolarHBondContact O-CG 3.3Å; R223-E227 PolarHBondContact O-N 2.88Å
224	R	59.3	Low	58	Low	156 Å²	156	130.9 Å²	130.9	59%	0.589	58%	0.577	S	S	*	*	H	α-helix	trans	-59	-34.3	176.3	-66.3	174.5	-165.6	-148.2	7.9	111.8	E220 R228	E220-R224 WeakPolarHBondContact O-CB 3.3Å; E220-R224 VanDerWaalsContact O-CG 3.26Å; E220-R224 WeakPolarHBondContact O-CG 3.46Å; E220-R224 PolarHBondContact O-N 3.04Å; E220-R224 IonicContact OE2-CZ 2.79Å; E220-R224 IonicContact OE2-NE 2.94Å; E220-R224 IonicContact OE2-NH2 3.08Å; E220-R224 PolarHBondContact OE2-NH2 2.72Å; R224-R228 PolarHBondContact O-N 3.2Å
225	H	58.5	Low	57.4	Low	102 Å²	102	130.2 Å²	130.2	47%	0.472	58%	0.575	S	S	.	*	H	α-helix	trans	-74.6	-31.1	176	-155.3	-17.3	0	0	0	112.9	G221 E222 R223 R229	G221-H225 VanDerWaalsContact O-CB 3.28Å; G221-H225 WeakPolarHBondContact O-CB 3.48Å; G221-H225 PolarHBondContact O-N 2.86Å; E222-H225 PolarHBondContact O-N 3.17Å; R223-H225 PolarHBondContact O-N 2.95Å; H225-R229 PolarHBondContact CE1-NE 3.19Å; H225-R229 PolarHBondContact ND1-NE 3.25Å; H225-R229 VanDerWaalsContact O-CG 3.32Å; H225-R229 WeakPolarHBondContact O-CG 3.41Å; H225-R229 PolarHBondContact O-N 2.94Å; H225-R229 VanDerWaalsContact O-N 3.09Å
226	K	56.8	Low	56.5	Low	150 Å²	150	129.4 Å²	129.4	65%	0.652	58%	0.576	S	S	*	*	H	α-helix	trans	-69.4	-44	172.2	-127.9	171.1	-177.4	174.4	0	111.5	E222 R223 R229 Q230	E222-K226 WeakPolarHBondContact O-CB 3.45Å; E222-K226 PolarHBondContact O-N 2.96Å; R223-K226 WeakPolarHBondContact O-CA 3.32Å; R223-K226 WeakPolarHBondContact O-CB 3.48Å; R223-K226 PolarHBondContact O-N 2.61Å; K226-R229 PolarHBondContact O-N 3.2Å; K226-Q230 WeakPolarHBondContact O-CG 3.26Å; K226-Q230 PolarHBondContact O-N 2.89Å
227	E	54.9	Low	55.6	Low	129 Å²	129	129.9 Å²	129.9	60%	0.603	59%	0.585	S	S	*	*	H	α-helix	trans	-61.3	-45.1	175.3	-71.2	171.4	163.2	0	0	111.5	R223 R229 Q230 H231	R223-E227 WeakPolarHBondContact O-CG 3.3Å; R223-E227 PolarHBondContact O-N 2.88Å; E227-R229 PolarHBondContact O-N 3.03Å; E227-Q230 PolarHBondContact O-N 2.86Å; E227-H231 PolarHBondContact O-N 2.91Å
228	R	55.5	Low	54.5	Low	187 Å²	187	132.9 Å²	132.9	71%	0.706	59%	0.593	S	S	*	*	H	α-helix	trans	-59	-46.4	172.3	-81.5	-170.8	170.3	-157.6	-3.4	112.7	R224 Q230 H231 D232	R224-R228 PolarHBondContact O-N 3.2Å; R228-Q230 VanDerWaalsContact C-N 3.34Å; R228-Q230 PolarHBondContact O-N 2.98Å; R228-H231 WeakPolarHBondContact O-CA 3.35Å; R228-H231 WeakPolarHBondContact O-CB 3.48Å; R228-H231 PolarHBondContact O-N 2.92Å; R228-D232 VanDerWaalsContact O-CG 3.31Å; R228-D232 PolarHBondContact O-N 3.49Å
229	R	53.5	Low	53.2	Low	145 Å²	145	131 Å²	131	55%	0.547	60%	0.597	S	S	.	*	H	α-helix	trans	-60.7	-41.5	177.9	-73.7	175.9	-168.5	-157.4	2.6	112.3	H225 K226 E227 H231 D232 E233	H225-R229 PolarHBondContact CE1-NE 3.19Å; H225-R229 PolarHBondContact ND1-NE 3.25Å; H225-R229 VanDerWaalsContact O-CG 3.32Å; H225-R229 WeakPolarHBondContact O-CG 3.41Å; H225-R229 PolarHBondContact O-N 2.94Å; H225-R229 VanDerWaalsContact O-N 3.09Å; K226-R229 PolarHBondContact O-N 3.2Å; E227-R229 PolarHBondContact O-N 3.03Å; R229-H231 PolarHBondContact O-N 2.99Å; R229-D232 PolarHBondContact O-N 3.38Å; R229-E233 WeakPolarHBondContact O-CB 3.49Å; R229-E233 WeakPolarHBondContact O-CG 3.33Å; R229-E233 PolarHBondContact O-N 3.33Å
230	Q	51.8	Low	51.9	Low	123 Å²	123	136.1 Å²	136.1	58%	0.575	62%	0.621	S	S	*	*	H	α-helix	trans	-68.9	-18.8	175.2	-70.8	-174.7	-4.3	0	0	114	K226 E227 R228 K234	K226-Q230 WeakPolarHBondContact O-CG 3.26Å; K226-Q230 PolarHBondContact O-N 2.89Å; E227-Q230 PolarHBondContact O-N 2.86Å; R228-Q230 VanDerWaalsContact C-N 3.34Å; R228-Q230 PolarHBondContact O-N 2.98Å; Q230-K234 WeakPolarHBondContact O-CG 3.2Å
231	H	52.4	Low	50.4	Low	113 Å²	113	135.8 Å²	135.8	52%	0.523	63%	0.629	S	S	.	*	H	α-helix	trans	-83.6	-43.6	171.2	-159.3	-80.5	0	0	0	111.6	E227 R228 R229 K234 Q235	E227-H231 PolarHBondContact O-N 2.91Å; R228-H231 WeakPolarHBondContact O-CA 3.35Å; R228-H231 WeakPolarHBondContact O-CB 3.48Å; R228-H231 PolarHBondContact O-N 2.92Å; R229-H231 PolarHBondContact O-N 2.99Å; H231-K234 PolarHBondContact O-N 2.87Å; H231-Q235 PolarHBondContact O-N 3.4Å
232	D	52	Low	48.9	Very low	90 Å²	90	142.4 Å²	142.4	48%	0.481	65%	0.647	S	S	.	*	H	α-helix	trans	-67.8	-39.7	-179.7	-65.6	-27.7	0	0	0	112.3	R228 R229 K234 Q235 K236	R228-D232 VanDerWaalsContact O-CG 3.31Å; R228-D232 PolarHBondContact O-N 3.49Å; R229-D232 PolarHBondContact O-N 3.38Å; D232-K234 VanDerWaalsContact C-N 3.3Å; D232-K234 PolarHBondContact O-N 3.28Å; D232-Q235 PolarHBondContact O-N 3.12Å; D232-K236 PolarHBondContact O-N 3.21Å; D232-K236 VanDerWaalsContact O-N 3.09Å
233	E	51.4	Low	47.4	Very low	131 Å²	131	144.6 Å²	144.6	61%	0.612	66%	0.657	S	S	*	*	H	α-helix	trans	-65.2	-33.1	174.9	-73.4	175	164	0	0	112	R229 Q235	R229-E233 WeakPolarHBondContact O-CB 3.49Å; R229-E233 WeakPolarHBondContact O-CG 3.33Å; R229-E233 PolarHBondContact O-N 3.33Å; E233-Q235 VanDerWaalsContact C-N 3.33Å
234	K	48	Very low	45.8	Very low	173 Å²	173	147.6 Å²	147.6	75%	0.752	67%	0.669	S	S	*	*	H	α-helix	trans	-74.1	-19.2	174.2	-80.4	-179.4	177.1	173.9	0	114	Q230 H231 D232	Q230-K234 WeakPolarHBondContact O-CG 3.2Å; H231-K234 PolarHBondContact O-N 2.87Å; D232-K234 VanDerWaalsContact C-N 3.3Å; D232-K234 PolarHBondContact O-N 3.28Å
235	Q	48.1	Very low	44.3	Very low	130 Å²	130	148 Å²	148	61%	0.607	68%	0.677	S	S	*	*	H	α-helix	trans	-90.1	-29.6	173.7	-72.5	-167.2	-30.4	0	0	113.2	H231 D232 E233	H231-Q235 PolarHBondContact O-N 3.4Å; D232-Q235 PolarHBondContact O-N 3.12Å; E233-Q235 VanDerWaalsContact C-N 3.33Å
236	K	45	Very low	43	Very low	170 Å²	170	148.9 Å²	148.9	74%	0.739	69%	0.685	S	S	*	*	H	α-helix	trans	-76	-27.7	-179.5	-78.4	-174.7	173	-179.7	0	115.3	D232 K238	D232-K236 PolarHBondContact O-N 3.21Å; D232-K236 VanDerWaalsContact O-N 3.09Å; K236-K238 PolarHBondContact O-N 2.96Å
237	H	42.4	Very low	41.8	Very low	180 Å²	180	148.5 Å²	148.5	83%	0.833	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	20	175.2	-89.2	-67.6	0	0	0	115
238	K	41.4	Very low	40.5	Very low	179 Å²	179	150.8 Å²	150.8	78%	0.778	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.7	16.4	-176.2	-137.1	176.4	-174.9	-179.9	0	115.4	K236	K236-K238 PolarHBondContact O-N 2.96Å
239	S	35.4	Very low	39.2	Very low	95 Å²	95	151.2 Å²	151.2	66%	0.664	71%	0.705	S	S	*	*			trans	-139.6	24.2	178.1	70.2	0	0	0	0	115.7	S241	S239-S241 PolarHBondContact O-N 3.47Å
240	E	37	Very low	37.8	Very low	200 Å²	200	148.4 Å²	148.4	94%	0.935	71%	0.707	S	S	*	*			trans	-87.7	55.9	157.7	-72.1	-162.9	131.9	0	0	110.2
241	S	31.2	Very low	36.6	Very low	89 Å²	89	149.8 Å²	149.8	62%	0.622	72%	0.719	S	S	*	*			trans	-155.6	55.4	-175.2	68.1	0	0	0	0	114	S239	S239-S241 PolarHBondContact O-N 3.47Å
242	K	31.8	Very low	35.5	Very low	178 Å²	178	149.3 Å²	149.3	77%	0.774	73%	0.728	S	S	*	*			trans	-175.9	105.3	151.2	-102.5	156.6	-175.3	-173.2	0	107.5
243	E	29.5	Very low	34.5	Very low	159 Å²	159	152.1 Å²	152.1	74%	0.743	74%	0.743	S	S	*	*				66.4	110	90.5	-68.6	176.7	127.4	0	0	110.9
244	R	26.4	Very low	33.6	Very low	220 Å²	220	151.7 Å²	151.7	83%	0.83	75%	0.749	S	S	*	*				64.7	130.1	64.4	-69.6	-171.7	168.2	-155.5	-1.4	112.8
245	Q	28	Very low	32.7	Very low	164 Å²	164	154.5 Å²	154.5	77%	0.766	76%	0.755	S	S	*	*			trans	68	143.6	165.5	-64.2	169	-77.1	0	0	114.6
246	D	30.9	Very low	31.8	Very low	121 Å²	121	153.3 Å²	153.3	65%	0.647	76%	0.761	S	S	*	*			cis	-137.4	150.9	-9	-91	-35.1	0	0	0	107.7
247	L	30.3	Very low	31.3	Very low	142 Å²	142	149.2 Å²	149.2	74%	0.743	75%	0.754	S	S	*	*				66.9	122.5	62.9	-101.8	176.5	0	0	0	116
248	K	28.7	Very low	30.8	Very low	177 Å²	177	147.9 Å²	147.9	77%	0.77	75%	0.753	S	S	*	*			trans	97.1	135.1	157.5	-61.8	165.6	179.5	163	0	120.5
249	K	26.8	Very low	30.2	Very low	196 Å²	196	143.9 Å²	143.9	85%	0.852	75%	0.753	S	S	*	*			trans	71.7	148.2	149.7	-74.9	-175.9	174.1	-165.3	0	118.4
250	S	25.1	Very low	29.9	Very low	86 Å²	86	146.1 Å²	146.1	60%	0.601	76%	0.757	S	S	*	*			cis	-168.2	143.6	-8.8	40.8	0	0	0	0	113.9
251	D	27	Very low	29.6	Very low	153 Å²	153	146.7 Å²	146.7	82%	0.818	75%	0.751	S	S	*	*			trans	63.1	162.4	142.7	-54.9	-30.9	0	0	0	122.9
252	S	28.9	Very low	29.6	Very low	103 Å²	103	148 Å²	148	72%	0.72	75%	0.751	S	S	*	*			trans	82.4	83.8	168.7	64.6	0	0	0	0	121.5
253	D	30	Very low	29.4	Very low	148 Å²	148	149.1 Å²	149.1	79%	0.791	75%	0.75	S	S	*	*				75.7	132.2	112.1	-68.1	-38.4	0	0	0	125.6
254	V	33	Very low	29.4	Very low	123 Å²	123	147 Å²	147	75%	0.745	75%	0.749	S	S	*	*			trans	72.1	120.5	143.9	171.1	0	0	0	0	116.9
255	R	29.6	Very low	29.5	Very low	232 Å²	232	143.3 Å²	143.3	88%	0.875	74%	0.741	S	S	*	*			cis	-136	162.4	27.1	-106.2	120.3	-167.4	-137.3	4.1	115.6
256	S	29	Very low	29.3	Very low	105 Å²	105	144.9 Å²	144.9	73%	0.734	74%	0.74	S	S	*	*			trans	-61.4	-176.2	163.9	84.6	0	0	0	0	114.5
257	S	34.6	Very low	29.2	Very low	83 Å²	83	145.1 Å²	145.1	58%	0.58	74%	0.737	S	S	*	*			cis	-169.2	179	-13.3	36	0	0	0	0	109.2
258	D	31.5	Very low	29.1	Very low	153 Å²	153	145 Å²	145	82%	0.818	73%	0.73	S	S	*	*			trans	73.9	150.6	165.8	-50.5	-55.6	0	0	0	115.7
259	A	29.8	Very low	29.4	Very low	94 Å²	94	143.4 Å²	143.4	78%	0.777	73%	0.725	S	S	*	*			cis	-172.2	159.4	-16.6	0	0	0	0	0	107.9
260	D	29.5	Very low	29.6	Very low	142 Å²	142	141.8 Å²	141.8	76%	0.759	72%	0.718	S	S	*	*			cis	-158.9	-150.5	-22.5	-174.2	19.7	0	0	0	107.6
261	R	30.4	Very low	29.7	Very low	213 Å²	213	143.1 Å²	143.1	80%	0.804	72%	0.723	S	S	*	*			trans	-82.7	174.4	-178.5	-63.5	161.3	164.8	150.9	-7.1	112.5
262	D	31.2	Very low	29.7	Very low	115 Å²	115	146.6 Å²	146.6	62%	0.615	72%	0.724	S	S	*	*			cis	179.5	165.5	47.9	-157.5	16.3	0	0	0	113.5
263	R	27.9	Very low	29.7	Very low	202 Å²	202	149.9 Å²	149.9	76%	0.762	73%	0.728	S	S	*	*			trans	54.8	139.9	144.9	-88	176.5	-169.6	151.5	-3.3	128.1
264	T	28	Very low	29.7	Very low	116 Å²	116	151.2 Å²	151.2	71%	0.712	73%	0.727	S	S	*	*			trans	88.7	117.3	132.6	45.7	0	0	0	0	125.8
265	E	28.5	Very low	29.4	Very low	141 Å²	141	152.3 Å²	152.3	66%	0.659	72%	0.721	S	S	*	*				64.2	141.8	129.6	-87.1	-165.7	-133.8	0	0	125.3
266	R	25.1	Very low	29.3	Very low	198 Å²	198	147.5 Å²	147.5	75%	0.747	71%	0.709	S	S	*	*			trans	73	155.8	155.6	-70.6	179.2	-153.6	-164.9	7.4	118
267	E	28.6	Very low	29.3	Very low	125 Å²	125	150.5 Å²	150.5	58%	0.584	71%	0.711	S	S	*	*			cis	-150.5	152.9	0	-131.4	-179.5	-160.6	0	0	115.4
268	K	28.5	Very low	28.9	Very low	141 Å²	141	153.3 Å²	153.3	61%	0.613	72%	0.72	S	S	*	*			trans	31.1	144.1	144.7	-74.4	164.7	-162.7	154.1	0	124.1
269	H	33.4	Very low	28.5	Very low	142 Å²	142	151.3 Å²	151.3	66%	0.657	72%	0.718	S	S	*	*			trans	74.8	154	140.8	-73.2	-18.1	0	0	0	118
270	K	31.7	Very low	28.5	Very low	162 Å²	162	151.6 Å²	151.6	70%	0.704	72%	0.72	S	S	*	*			cis	-165.2	166.2	-2.3	-118.5	162.4	-177.4	152.2	0	107.3
271	V	28.6	Very low	28.6	Very low	115 Å²	115	152.8 Å²	152.8	70%	0.697	73%	0.726	S	S	*	*			cis	-141.8	157.5	7.8	-164.4	0	0	0	0	110.3
272	R	26.8	Very low	28.6	Very low	226 Å²	226	145.5 Å²	145.5	85%	0.853	72%	0.718	S	S	*	*			trans	-3.9	153.8	159.4	-54.9	169.9	174.3	166.5	-4.6	122.2
273	H	28.3	Very low	28.6	Very low	172 Å²	172	151.2 Å²	151.2	80%	0.796	73%	0.731	S	S	*	*			cis	65.5	149.3	45.1	-89	-51.3	0	0	0	114.7
274	K	30	Very low	29.1	Very low	176 Å²	176	150.3 Å²	150.3	77%	0.765	74%	0.735	S	S	*	*			cis	-135.5	165.3	1.5	-99.7	-172.2	178.2	-172.2	0	107.3
275	K	27.6	Very low	29.1	Very low	145 Å²	145	154.4 Å²	154.4	63%	0.63	74%	0.743	S	S	*	*			cis	82.7	115	38.4	-149.7	-168.7	-171.1	-117.8	0	115.2
276	E	26.9	Very low	29.6	Very low	132 Å²	132	154.8 Å²	154.8	62%	0.617	75%	0.749	S	S	*	*			trans	79.2	160.2	151.7	-87.2	153.5	-174.3	0	0	123.7
277	E	27.8	Very low	29.8	Very low	168 Å²	168	154.9 Å²	154.9	79%	0.785	75%	0.749	S	S	*	*			trans	83.4	103.1	160.4	-76.3	157	-142.8	0	0	121.4
278	D	26.3	Very low	29.8	Very low	141 Å²	141	158 Å²	158	75%	0.754	76%	0.756	S	S	*	*				59.5	124.3	114.4	-71.1	27.8	0	0	0	124.5
279	S	24.4	Very low	29.9	Very low	111 Å²	111	159.1 Å²	159.1	78%	0.776	76%	0.763	S	S	*	*				74.7	158.8	129.6	-64.8	0	0	0	0	122.3
280	A	29.7	Very low	29.8	Very low	100 Å²	100	161.2 Å²	161.2	83%	0.826	77%	0.765	S	S	*	*			trans	75.5	111.9	164	0	0	0	0	0	120
281	D	31.9	Very low	29.7	Very low	168 Å²	168	160.1 Å²	160.1	90%	0.898	76%	0.762	S	S	*	*			trans	-41.8	155.4	154.8	172.9	35.6	0	0	0	115.5
282	G	29.6	Very low	29.8	Very low	60 Å²	60	159.1 Å²	159.1	62%	0.619	77%	0.766	S	S	*	*			trans	150.1	75.1	161.6	0	0	0	0	0	121.2
283	R	30.7	Very low	29.8	Very low	235 Å²	235	156.8 Å²	156.8	89%	0.887	77%	0.765	S	S	*	*			trans	64.6	116	143.3	-54.6	-179.6	-176.9	-158.2	-1.6	122.5
284	H	38.6	Very low	29.8	Very low	183 Å²	183	156.7 Å²	156.7	85%	0.847	77%	0.765	S	S	*	*			trans	40.6	126.1	132.9	-80.7	-58.8	0	0	0	123.2
285	K	28.8	Very low	29.8	Very low	202 Å²	202	156.5 Å²	156.5	88%	0.878	76%	0.764	S	S	*	*				-176	158.4	99.9	-106.3	172.1	-177.2	171.7	0	115.1
286	D	38	Very low	29.7	Very low	148 Å²	148	156.6 Å²	156.6	79%	0.791	77%	0.771	S	S	*	*			trans	-64.4	153.9	171.6	-71.4	-73.3	0	0	0	115.2
287	R	29.1	Very low	30.1	Very low	201 Å²	201	155.5 Å²	155.5	76%	0.758	77%	0.774	S	S	*	*				176.8	131.4	110.7	-97.2	174.2	172.2	-173	-0.9	115.5
288	R	28.7	Very low	30.4	Very low	189 Å²	189	156.1 Å²	156.1	71%	0.713	77%	0.774	S	S	*	*			trans	67.8	132.3	135.8	-66.5	175.9	175.4	-164.7	-5	121.3
289	H	31.9	Very low	30.3	Very low	165 Å²	165	161 Å²	161	76%	0.764	78%	0.781	S	S	*	*				33.1	148.8	121.8	-65.5	-69.6	0	0	0	120.8
290	R	30.9	Very low	30.5	Very low	187 Å²	187	161.2 Å²	161.2	71%	0.706	78%	0.783	S	S	*	*			cis	-168	149.8	23.9	-138.1	176.8	169.1	161.4	-4.6	114.5
291	E	28.8	Very low	30.3	Very low	139 Å²	139	162.2 Å²	162.2	65%	0.65	78%	0.784	S	S	*	*			trans	42.2	165.2	138.8	-75.1	156.3	-140.6	0	0	124.6
292	A	31	Very low	30.4	Very low	94 Å²	94	159.5 Å²	159.5	78%	0.777	78%	0.778	S	S	*	*			trans	73.8	138	177.8	0	0	0	0	0	116.1
293	E	27.6	Very low	30.2	Very low	176 Å²	176	165.9 Å²	165.9	82%	0.822	79%	0.789	S	S	*	*			cis	-155	161.3	-3.3	-139	170.3	-163.8	0	0	111
294	E	27.6	Very low	30.1	Very low	170 Å²	170	164 Å²	164	79%	0.794	79%	0.787	S	S	*	*			trans	56.7	-173.6	164.1	-61.8	-146	121.3	0	0	119.4
295	K	29.2	Very low	29.5	Very low	173 Å²	173	160 Å²	160	75%	0.752	78%	0.78	S	S	*	*				-161.8	163.5	-85.9	-117.7	-178.4	-177.4	173.8	0	110.9
296	D	25.9	Very low	29.4	Very low	146 Å²	146	155.4 Å²	155.4	78%	0.781	77%	0.773	S	S	*	*			trans	57.7	137.3	164.9	-72.2	-38.3	0	0	0	120.2
297	V	35.6	Very low	28.8	Very low	110 Å²	110	153.2 Å²	153.2	67%	0.667	77%	0.77	S	S	*	*				168	119	110.6	158	0	0	0	0	111.7
298	K	33.1	Very low	28.7	Very low	180 Å²	180	149.4 Å²	149.4	78%	0.783	76%	0.764	S	S	*	*			trans	66.2	131.2	165.6	-64.9	155.2	-162.5	157.9	0	116.1
299	R	25.3	Very low	28.6	Very low	243 Å²	243	148 Å²	148	92%	0.917	76%	0.763	S	S	*	*				67.1	136.7	54.3	-64.2	178.4	174.6	175	-0.7	112
300	S	28.6	Very low	28.2	Very low	117 Å²	117	150.6 Å²	150.6	82%	0.818	77%	0.766	S	S	*	*			cis	-144.5	163.6	16.5	51.5	0	0	0	0	110.3
301	S	25.5	Very low	27.8	Very low	120 Å²	120	148 Å²	148	84%	0.839	76%	0.76	S	S	*	*			cis	-151.2	157.7	38.4	67.9	0	0	0	0	116.3
302	S	33.2	Very low	27.5	Very low	112 Å²	112	147.8 Å²	147.8	78%	0.783	76%	0.759	S	S	*	*			trans	-144.7	158.1	167.2	64.4	0	0	0	0	108.4
303	K	26.9	Very low	27	Very low	194 Å²	194	150.2 Å²	150.2	84%	0.843	75%	0.754	S	S	*	*			trans	-163.9	103.4	158	-119.2	172.2	-174.2	177.5	0	113.9
304	K	28.3	Very low	26.8	Very low	196 Å²	196	149.8 Å²	149.8	85%	0.852	75%	0.75	S	S	*	*			trans	63.3	152.4	152	-63.9	-173.4	169.8	-169.6	0	117.7
305	S	25.7	Very low	26.5	Very low	99 Å²	99	149.4 Å²	149.4	69%	0.692	75%	0.745	S	S	*	*			cis	-142.8	136.3	4.1	-11.5	0	0	0	0	112.8
306	S	26.9	Very low	26.2	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	74%	0.74	S	S	*	*				6	147.7	128.5	55.9	0	0	0	0	119.7
307	S	25.3	Very low	26.1	Very low	102 Å²	102	146.8 Å²	146.8	71%	0.713	74%	0.735	S	S	*	*			cis	173.5	150.2	-3.4	47.3	0	0	0	0	110.2
308	D	26.4	Very low	25.6	Very low	120 Å²	120	149.6 Å²	149.6	64%	0.642	74%	0.738	S	S	*	*				-168.1	173.4	116.8	-130.7	-29.1	0	0	0	115.2
309	K	26.1	Very low	25.2	Very low	160 Å²	160	149.1 Å²	149.1	70%	0.696	74%	0.739	S	S	*	*			trans	-5.3	135.2	167	-66.8	131.7	-161.6	155.9	0	119.4
310	R	23.6	Very low	25.4	Very low	219 Å²	219	145.8 Å²	145.8	83%	0.826	73%	0.734	S	S	*	*			cis	81.3	132.8	49.8	-86.8	-171.1	167.1	-167.6	-2.1	115.4
311	K	23.4	Very low	25.3	Very low	133 Å²	133	147.9 Å²	147.9	58%	0.578	73%	0.731	S	S	*	*			trans	77.9	131.6	141.5	-81.4	-171.2	170.5	-77.7	0	119.1
312	E	21.4	Very low	25.6	Very low	135 Å²	135	149.7 Å²	149.7	63%	0.631	73%	0.726	S	S	*	*				43.1	149.6	112.1	-57.2	160	-158.2	0	0	119.6
313	E	21.1	Very low	25.2	Very low	144 Å²	144	154.8 Å²	154.8	67%	0.673	73%	0.728	S	S	*	*			cis	-148.8	-169.9	0.9	-133.2	-173.5	141.6	0	0	112.9
314	K	23	Very low	25.4	Very low	167 Å²	167	149.8 Å²	149.8	73%	0.726	72%	0.723	S	S	*	*			trans	-55.9	162.7	177.4	-54.7	149.1	-173.2	137.8	0	113.6
315	K	22	Very low	25.2	Very low	162 Å²	162	147.8 Å²	147.8	70%	0.704	72%	0.721	S	S	*	*				101.1	150.7	129.7	-122.1	-177.8	156.8	-81	0	118.4
316	D	23.4	Very low	25.3	Very low	121 Å²	121	145.9 Å²	145.9	65%	0.647	72%	0.717	S	S	*	*			trans	72.6	145.2	167.7	-54.4	-8	0	0	0	116.4
317	E	23.2	Very low	25.5	Very low	143 Å²	143	148.8 Å²	148.8	67%	0.668	72%	0.719	S	S	*	*			cis	-171.8	164.6	-36.1	-125.7	179.3	-141.8	0	0	107.3
318	K	24.8	Very low	25.6	Very low	169 Å²	169	150.4 Å²	150.4	74%	0.735	72%	0.715	S	S	*	*			trans	71.6	129.2	174.1	-63.1	157.3	-172.2	167	0	115.4
319	E	26	Very low	25.6	Very low	171 Å²	171	153.7 Å²	153.7	80%	0.799	72%	0.719	S	S	*	*			cis	76.3	99.5	46	-67	-164.3	124.2	0	0	115.1
320	Q	28.5	Very low	25.8	Very low	172 Å²	172	153.3 Å²	153.3	80%	0.804	72%	0.719	S	S	*	*				-178.9	144.1	117.8	-95.7	169.5	33.8	0	0	108.7
321	Q	27.7	Very low	26.1	Very low	162 Å²	162	149.3 Å²	149.3	76%	0.757	72%	0.715	S	S	*	*			cis	-148.9	174.9	1.7	-146.8	157.3	24.1	0	0	112.2
322	Q	31.3	Very low	26.3	Very low	157 Å²	157	153.3 Å²	153.3	73%	0.734	73%	0.726	S	S	*	*			trans	-72.4	172.5	-174	-56.5	164.9	-13.1	0	0	112.3
323	R	25	Very low	26.8	Very low	220 Å²	220	153.6 Å²	153.6	83%	0.83	73%	0.73	S	S	*	*			cis	-160	147.6	40.1	-69.8	179.5	168.8	178.1	-3.1	115.9
324	A	29.7	Very low	27.2	Very low	89 Å²	89	154.6 Å²	154.6	74%	0.736	74%	0.735	S	S	*	*			trans	68.6	142.5	139.1	0	0	0	0	0	119.5
325	D	25.5	Very low	27.3	Very low	154 Å²	154	155 Å²	155	82%	0.824	75%	0.745	S	S	*	*			cis	-153.2	166.8	-3.4	-137.6	-31	0	0	0	112.9
326	G	27.3	Very low	27.5	Very low	58 Å²	58	151.6 Å²	151.6	60%	0.598	75%	0.747	S	S	*	*			trans	62.7	96.8	166.8	0	0	0	0	0	116.8
327	Q	30.5	Very low	27.7	Very low	167 Å²	167	153 Å²	153	78%	0.78	75%	0.754	S	S	*	*				59.9	130.6	69.4	-57.1	-162.8	-18.4	0	0	115
328	Q	28.4	Very low	27.8	Very low	135 Å²	135	154.2 Å²	154.2	63%	0.631	76%	0.762	S	S	*	*			cis	-160.2	144.6	-2.7	-121.1	-176.9	41.7	0	0	112.9
329	R	25.8	Very low	28	Very low	189 Å²	189	150 Å²	150	71%	0.713	76%	0.759	S	S	*	*			trans	68.3	123	153	-63.2	-156.1	151.3	128.3	-2.6	119.8
330	E	29.8	Very low	28	Very low	152 Å²	152	149.2 Å²	149.2	71%	0.71	76%	0.756	S	S	*	*			cis	84.1	134	49.9	-75.2	178.1	153.2	0	0	113.1
331	D	31.1	Very low	27.8	Very low	136 Å²	136	148.2 Å²	148.2	73%	0.727	75%	0.751	S	S	*	*			cis	-175.9	177.4	-19.1	-142.3	32.5	0	0	0	110.3
332	R	28	Very low	27.8	Very low	217 Å²	217	148.9 Å²	148.9	82%	0.819	75%	0.754	S	S	*	*			trans	77.3	151.4	160.5	-59.7	-154.6	177.8	177.4	-2.5	120.5
333	I	31	Very low	27.7	Very low	140 Å²	140	151.9 Å²	151.9	72%	0.718	76%	0.76	S	S	*	*			cis	-159.9	167.4	-33.1	-122.7	163.7	0	0	0	109.3
334	E	29.9	Very low	27.8	Very low	166 Å²	166	150 Å²	150	78%	0.776	76%	0.76	S	S	*	*			trans	-53.4	160.9	-177.1	-54.3	157.5	141.2	0	0	117.4
335	N	24.6	Very low	28	Very low	174 Å²	174	154.6 Å²	154.6	93%	0.93	77%	0.767	S	S	*	*			trans	-152.3	166.5	145.5	-104.2	-58.4	0	0	0	110.7
336	A	26.3	Very low	28.4	Very low	91 Å²	91	155 Å²	155	75%	0.752	77%	0.769	S	S	*	*			trans	-118.3	-175.3	-163.3	0	0	0	0	0	115.2
337	D	26.7	Very low	28.6	Very low	150 Å²	150	161.4 Å²	161.4	80%	0.802	78%	0.781	S	S	*	*			trans	-57.3	152.4	-167.6	-41	-73.5	0	0	0	116.8
338	M	27	Very low	28.7	Very low	170 Å²	170	161.7 Å²	161.7	84%	0.837	78%	0.782	S	S	*	*				164.9	148.8	114.6	-89.2	-66.5	-73	0	0	114.3
339	A	27.7	Very low	28.9	Very low	81 Å²	81	162 Å²	162	67%	0.669	79%	0.788	S	S	*	*			trans	65.2	161.6	156.9	0	0	0	0	0	119.2
340	E	26.2	Very low	29.4	Very low	154 Å²	154	161.9 Å²	161.9	72%	0.72	79%	0.789	S	S	*	*			cis	-164.3	143.9	-36.8	-107.7	-165.5	108	0	0	107.9
341	Q	25.3	Very low	29.6	Very low	151 Å²	151	162.2 Å²	162.2	71%	0.706	79%	0.791	S	S	*	*			trans	63.5	176.3	165.3	-58.9	159.4	46	0	0	112.7
342	E	26.1	Very low	29.6	Very low	176 Å²	176	164.1 Å²	164.1	82%	0.822	80%	0.795	S	S	*	*			cis	-141.9	-147.8	8.4	-158.1	156.2	-159.5	0	0	111.2
343	Y	29.4	Very low	29.8	Very low	220 Å²	220	160.9 Å²	160.9	86%	0.863	79%	0.794	S	S	*	*			trans	-106.5	-168.7	-172.2	-93.3	-101.6	0	0	0	113.4
344	E	28.6	Very low	30	Very low	179 Å²	179	163 Å²	163	84%	0.836	80%	0.798	S	S	*	*			trans	82.2	123.8	168.7	-58.1	171.3	-174	0	0	113.3
345	E	33.3	Very low	30.1	Very low	186 Å²	186	164.1 Å²	164.1	87%	0.869	80%	0.804	S	S	*	*				64.6	101.1	52.3	-65	-170.2	-172.4	0	0	113
346	D	33	Very low	30.5	Very low	164 Å²	164	162.6 Å²	162.6	88%	0.877	80%	0.796	S	S	*	*				-155	173.1	130	-139.3	-25.2	0	0	0	111.8
347	F	32.5	Very low	30.6	Very low	192 Å²	192	167.3 Å²	167.3	84%	0.842	80%	0.804	S	S	*	*			trans	-111.2	-165.1	-172.7	-137.5	-111	0	0	0	111.4
348	E	32.8	Very low	30.9	Very low	172 Å²	172	168.5 Å²	168.5	80%	0.804	81%	0.805	S	S	*	*			trans	72.2	150.3	169.5	-43.2	-170.8	159.9	0	0	115.3
349	D	32.4	Very low	31	Very low	142 Å²	142	169 Å²	169	76%	0.759	81%	0.805	S	S	*	*			cis	-143.7	-177.6	3.6	-153	-1.2	0	0	0	113.3
350	Y	34.7	Very low	30.9	Very low	187 Å²	187	170.2 Å²	170.2	73%	0.733	81%	0.809	S	S	*	*			trans	-81	161.2	-167.9	-94.2	-109	0	0	0	118
351	E	34.1	Very low	31.1	Very low	159 Å²	159	167.3 Å²	167.3	74%	0.743	81%	0.811	S	S	*	*			trans	63.6	164.1	148.5	-81.8	158.5	-169.8	0	0	118.2
352	E	32.8	Very low	31.2	Very low	176 Å²	176	167.3 Å²	167.3	82%	0.822	82%	0.816	S	S	*	*			cis	-150.1	-176.4	16.6	-150.2	169.2	-164.8	0	0	112.3
353	D	30.9	Very low	31.5	Very low	148 Å²	148	167.8 Å²	167.8	79%	0.791	82%	0.818	S	S	*	*			trans	104.1	139.2	148.9	-137.8	-5	0	0	0	120.2
354	F	34.7	Very low	31.4	Very low	184 Å²	184	160.5 Å²	160.5	81%	0.807	81%	0.81	S	S	*	*			trans	-161.7	109	-159.6	-157.8	-67.8	0	0	0	110.9
355	E	33.7	Very low	31.5	Very low	190 Å²	190	161.1 Å²	161.1	89%	0.888	81%	0.813	S	S	*	*			trans	-131.9	138.6	172.8	-76.1	-158.4	142.7	0	0	113.3
356	D	32.9	Very low	31.3	Very low	143 Å²	143	159.8 Å²	159.8	77%	0.765	81%	0.812	S	S	*	*			trans	-85.4	153.4	178.1	-71.3	-60.1	0	0	0	113.3
357	M	28.2	Very low	31.2	Very low	189 Å²	189	159.5 Å²	159.5	93%	0.931	81%	0.81	S	S	*	*			trans	-150.5	144.1	143.9	-158	156.5	-71.5	0	0	111.8
358	H	31.6	Very low	31	Very low	176 Å²	176	157 Å²	157	82%	0.815	81%	0.805	S	S	*	*			trans	-131.4	-177.9	-170.8	-150.6	-93.6	0	0	0	111.5
359	E	29.6	Very low	30.9	Very low	180 Å²	180	157.8 Å²	157.8	84%	0.841	81%	0.809	S	S	*	*			trans	79.3	151.4	179	-45.7	-166.6	134	0	0	115.2
360	S	26.9	Very low	30.7	Very low	107 Å²	107	153.9 Å²	153.9	75%	0.748	80%	0.802	S	S	*	*			cis	-157.6	170.4	25	48.8	0	0	0	0	114.6
361	A	30.1	Very low	30.4	Very low	93 Å²	93	154.2 Å²	154.2	77%	0.769	81%	0.811	S	S	*	*			trans	64.5	104.1	159.5	0	0	0	0	0	118.9
362	D	27.1	Very low	30.1	Very low	151 Å²	151	153.7 Å²	153.7	81%	0.807	81%	0.813	S	S	*	*			cis	81.4	145.9	39.8	-148.8	8.4	0	0	0	116.8
363	E	32.7	Very low	29.9	Very low	185 Å²	185	151.2 Å²	151.2	86%	0.864	81%	0.805	S	S	*	*			trans	60.3	141.7	177	-58.1	-173.8	-156.7	0	0	119.3
364	G	27.8	Very low	29.9	Very low	68 Å²	68	151.7 Å²	151.7	70%	0.701	81%	0.808	S	S	*	*			cis	169.3	150.6	-7.7	0	0	0	0	0	113.4
365	E	29.2	Very low	29.7	Very low	191 Å²	191	146.4 Å²	146.4	89%	0.893	81%	0.805	S	S	*	*			trans	32.3	165.2	148.5	-64.4	168.5	-179.6	0	0	122.1
366	D	29.8	Very low	29.7	Very low	158 Å²	158	146.8 Å²	146.8	85%	0.845	81%	0.807	S	S	*	*			cis	-85.9	-144.7	0	-51.7	-87.2	0	0	0	112.8
367	D	29.8	Very low	29.9	Very low	158 Å²	158	149.2 Å²	149.2	85%	0.845	81%	0.814	S	S	*	*			cis	-160.2	174.2	4.2	-155.6	-3.5	0	0	0	110.7
368	D	28.6	Very low	30.6	Very low	139 Å²	139	146.9 Å²	146.9	74%	0.743	81%	0.81	S	S	*	*			trans	-144.9	-171	174.7	-148.4	10.7	0	0	0	111
369	E	31.6	Very low	31.2	Very low	190 Å²	190	145.9 Å²	145.9	89%	0.888	81%	0.806	S	S	*	*			cis	-124.2	171.2	7.1	-56.8	173.2	116	0	0	109.6
370	G	27.6	Very low	32.4	Very low	59 Å²	59	141.5 Å²	141.5	61%	0.608	79%	0.791	S	S	*	*			cis	165.2	-178.8	0.3	0	0	0	0	0	110.8
371	E	28.7	Very low	33.8	Very low	195 Å²	195	139.7 Å²	139.7	91%	0.911	78%	0.783	S	S	*	*			trans	64.2	136.5	171.9	-64.4	-175.1	169.6	0	0	117.8
372	D	27.6	Very low	35	Very low	147 Å²	147	142.3 Å²	142.3	79%	0.786	78%	0.779	S	S	*	*			cis	-156.3	155.1	-0.8	-148.9	-3.5	0	0	0	113.4
373	N	28.9	Very low	36.1	Very low	125 Å²	125	140.2 Å²	140.2	67%	0.668	76%	0.764	S	S	*	*			trans	21.8	118.5	159.5	178.8	88.5	0	0	0	122.5
374	D	30.9	Very low	37.5	Very low	158 Å²	158	134.8 Å²	134.8	85%	0.845	75%	0.747	S	S	*	*				-176.2	143.8	121.4	-104.3	-22.7	0	0	0	111.5
375	G	30.2	Very low	39.5	Very low	73 Å²	73	138.5 Å²	138.5	75%	0.753	74%	0.744	S	S	*	*			trans	-172.7	109.9	178.6	0	0	0	0	0	117.9
376	E	34.3	Very low	41.2	Very low	198 Å²	198	135.4 Å²	135.4	93%	0.925	73%	0.729	S	S	*	*			trans	-113.7	108.8	156.5	-74.6	-165.7	139.5	0	0	108.9
377	E	37.3	Very low	43	Very low	194 Å²	194	132.2 Å²	132.2	91%	0.907	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-82.6	140.6	179.1	-72.6	-165.8	123.6	0	0	113.3
378	V	41.7	Very low	45.1	Very low	139 Å²	139	129.7 Å²	129.7	84%	0.842	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-84.9	121.7	179.6	178.2	0	0	0	0	110.4
379	Q	44.8	Very low	47.5	Very low	156 Å²	156	125.9 Å²	125.9	73%	0.729	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-65.3	137	-179.7	-67.4	178.2	-9.4	0	0	112.5
380	T	55.9	Low	49.3	Very low	87 Å²	87	121.1 Å²	121.1	53%	0.534	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-76.8	151.6	-176	49.9	0	0	0	0	113.2	E382 Q383	T380-E382 PolarHBondContact O-N 2.81Å; T380-E382 VanDerWaalsContact O-N 3.07Å; T380-Q383 PolarHBondContact O-N 3.35Å
381	A	54.5	Low	51.4	Low	69 Å²	69	126.9 Å²	126.9	57%	0.57	67%	0.665	S	S	*	*	H	α-helix	trans	-68.4	-9.4	-169.5	0	0	0	0	0	115.3	K385	A381-K385 WeakPolarHBondContact O-CG 3.32Å
382	E	56.1	Low	53.9	Low	149 Å²	149	125.2 Å²	125.2	70%	0.696	65%	0.65	S	S	*	*	H	α-helix	trans	-84.1	-41.6	-178.5	-61.8	-173.2	131	0	0	112	T380 S384 K385 E386	T380-E382 PolarHBondContact O-N 2.81Å; T380-E382 VanDerWaalsContact O-N 3.07Å; E382-S384 PolarHBondContact O-N 2.98Å; E382-K385 WeakPolarHBondContact O-CB 3.26Å; E382-K385 PolarHBondContact O-N 2.73Å; E382-E386 PolarHBondContact O-N 3.33Å; E382-E386 VanDerWaalsContact O-N 3.1Å
383	Q	49.8	Very low	56.3	Low	106 Å²	106	121 Å²	121	50%	0.495	64%	0.636	S	S	.	*	H	α-helix	trans	-59.9	-34.6	172.9	-65.1	-178.9	-4.9	0	0	111.5	T380 K385 E386 I387	T380-Q383 PolarHBondContact O-N 3.35Å; Q383-K385 PolarHBondContact O-N 3.34Å; Q383-E386 PolarHBondContact O-N 2.68Å; Q383-I387 WeakPolarHBondContact O-CB 3.47Å; Q383-I387 WeakPolarHBondContact O-CD1 3.37Å; Q383-I387 VanDerWaalsContact O-CG1 3.26Å; Q383-I387 WeakPolarHBondContact O-CG1 3.49Å; Q383-I387 PolarHBondContact O-N 2.67Å
384	S	61.8	Low	58.2	Low	71 Å²	71	120 Å²	120	50%	0.497	63%	0.629	S	S	.	*	H	α-helix	trans	-60.9	-40.5	173.1	-67.6	0	0	0	0	112.9	E382 E388	E382-S384 PolarHBondContact O-N 2.98Å; S384-E388 PolarHBondContact O-N 2.83Å
385	K	70.1	Confident	60	Low	146 Å²	146	115.3 Å²	115.3	64%	0.635	61%	0.612	S	S	*	*	H	α-helix	trans	-70	-39	178.6	-68.3	171.2	-176.1	174.4	0	111.8	A381 E382 Q383 E388 A389	A381-K385 WeakPolarHBondContact O-CG 3.32Å; E382-K385 WeakPolarHBondContact O-CB 3.26Å; E382-K385 PolarHBondContact O-N 2.73Å; Q383-K385 PolarHBondContact O-N 3.34Å; K385-E388 PolarHBondContact O-N 2.75Å; K385-A389 WeakPolarHBondContact O-CB 3.38Å; K385-A389 PolarHBondContact O-N 3.32Å
386	E	65.9	Low	62.2	Low	127 Å²	127	116.2 Å²	116.2	59%	0.593	60%	0.597	S	S	*	*	H	α-helix	trans	-63.9	-45	175.5	-169.9	178.7	-169.7	0	0	111.4	E382 Q383 E388 A389 I390	E382-E386 PolarHBondContact O-N 3.33Å; E382-E386 VanDerWaalsContact O-N 3.1Å; Q383-E386 PolarHBondContact O-N 2.68Å; E386-E388 VanDerWaalsContact C-N 3.31Å; E386-E388 PolarHBondContact O-N 3.21Å; E386-A389 PolarHBondContact O-N 3.5Å; E386-I390 HydrophobicContact CG-CD1 4.09Å; E386-I390 WeakPolarHBondContact O-CB 3.48Å; E386-I390 WeakPolarHBondContact O-CG1 3.26Å; E386-I390 PolarHBondContact O-N 2.98Å
387	I	67.5	Low	63.8	Low	91 Å²	91	113.2 Å²	113.2	47%	0.467	58%	0.583	S	S	.	*	H	α-helix	trans	-63.3	-36	175.8	-68	166	0	0	0	111.5	Q383 R391	Q383-I387 WeakPolarHBondContact O-CB 3.47Å; Q383-I387 WeakPolarHBondContact O-CD1 3.37Å; Q383-I387 VanDerWaalsContact O-CG1 3.26Å; Q383-I387 WeakPolarHBondContact O-CG1 3.49Å; Q383-I387 PolarHBondContact O-N 2.67Å; I387-R391 WeakPolarHBondContact O-CG 3.49Å; I387-R391 PolarHBondContact O-N 3.05Å
388	E	74.3	Confident	65.3	Low	104 Å²	104	109.7 Å²	109.7	49%	0.486	57%	0.57	S	S	.	*	H	α-helix	trans	-69.5	-42.8	173.8	-158.3	-164.9	133.6	0	0	112.3	S384 K385 E386 I390 R391 R392	S384-E388 PolarHBondContact O-N 2.83Å; K385-E388 PolarHBondContact O-N 2.75Å; E386-E388 VanDerWaalsContact C-N 3.31Å; E386-E388 PolarHBondContact O-N 3.21Å; E388-I390 VanDerWaalsContact C-N 3.32Å; E388-I390 PolarHBondContact O-N 3.42Å; E388-R391 CarbonylContact O-C 3.38Å; E388-R391 WeakPolarHBondContact O-CB 3.41Å; E388-R391 PolarHBondContact O-N 3.34Å; E388-R391 VanDerWaalsContact O-N 3.13Å; E388-R392 WeakPolarHBondContact O-CB 3.41Å; E388-R392 PolarHBondContact O-N 2.86Å; E388-R392 IonicContact OE1-CZ 3.41Å; E388-R392 IonicContact OE1-NE 3.24Å; E388-R392 IonicContact OE1-NH2 3.86Å; E388-R392 PolarHBondContact OE1-NH2 3.32Å
389	A	77.3	Confident	66.7	Low	59 Å²	59	110.1 Å²	110.1	49%	0.488	56%	0.562	S	S	.	*	H	α-helix	trans	-59.2	-43.1	175.7	0	0	0	0	0	111.7	K385 E386 R391 R392 A393	K385-A389 WeakPolarHBondContact O-CB 3.38Å; K385-A389 PolarHBondContact O-N 3.32Å; E386-A389 PolarHBondContact O-N 3.5Å; A389-R391 PolarHBondContact O-N 3.27Å; A389-R392 PolarHBondContact O-N 2.96Å; A389-A393 PolarHBondContact O-N 3.03Å
390	I	71.3	Confident	67.8	Low	90 Å²	90	110.5 Å²	110.5	46%	0.462	56%	0.557	S	S	.	*	H	α-helix	trans	-62.4	-40.1	174.7	-72.1	166.7	0	0	0	111.5	E386 E388 M394	E386-I390 HydrophobicContact CG-CD1 4.09Å; E386-I390 WeakPolarHBondContact O-CB 3.48Å; E386-I390 WeakPolarHBondContact O-CG1 3.26Å; E386-I390 PolarHBondContact O-N 2.98Å; E388-I390 VanDerWaalsContact C-N 3.32Å; E388-I390 PolarHBondContact O-N 3.42Å; I390-M394 HydrophobicContact CG2-CE 3.79Å; I390-M394 PolarHBondContact O-N 3.4Å; I390-M394 VanDerWaalsContact O-N 3.16Å
391	R	71	Confident	67.8	Low	180 Å²	180	110.2 Å²	110.2	68%	0.679	56%	0.555	S	S	*	*	H	α-helix	trans	-66.8	-39.1	173.1	-78.6	-179.9	171.7	-169.4	0	112.8	I387 E388 A389 M394 A395	I387-R391 WeakPolarHBondContact O-CG 3.49Å; I387-R391 PolarHBondContact O-N 3.05Å; E388-R391 CarbonylContact O-C 3.38Å; E388-R391 WeakPolarHBondContact O-CB 3.41Å; E388-R391 PolarHBondContact O-N 3.34Å; E388-R391 VanDerWaalsContact O-N 3.13Å; A389-R391 PolarHBondContact O-N 3.27Å; R391-M394 PolarHBondContact O-N 2.93Å; R391-A395 PolarHBondContact O-N 3.22Å
392	R	81.5	Confident	67.7	Low	160 Å²	160	109.1 Å²	109.1	60%	0.604	55%	0.551	S	S	*	*	H	α-helix	trans	-66	-46.3	179.3	-165.6	176.7	-64	-174.8	0.5	111.1	E388 A389 M394 A395 E396	E388-R392 WeakPolarHBondContact O-CB 3.41Å; E388-R392 PolarHBondContact O-N 2.86Å; E388-R392 IonicContact OE1-CZ 3.41Å; E388-R392 IonicContact OE1-NE 3.24Å; E388-R392 IonicContact OE1-NH2 3.86Å; E388-R392 PolarHBondContact OE1-NH2 3.32Å; A389-R392 PolarHBondContact O-N 2.96Å; R392-M394 VanDerWaalsContact C-N 3.35Å; R392-M394 PolarHBondContact O-N 3.32Å; R392-A395 PolarHBondContact O-N 3.31Å; R392-A395 VanDerWaalsContact O-N 3.15Å; R392-E396 WeakPolarHBondContact O-CB 3.44Å; R392-E396 PolarHBondContact O-N 3.44Å
393	A	77.5	Confident	67.5	Low	58 Å²	58	106.3 Å²	106.3	48%	0.479	54%	0.544	S	S	.	.	H	α-helix	trans	-59.3	-42.8	174.1	0	0	0	0	0	112.4	A389 E396 E397	A389-A393 PolarHBondContact O-N 3.03Å; A393-E396 PolarHBondContact O-N 3.39Å; A393-E397 PolarHBondContact O-N 3Å
394	M	68	Low	67.4	Low	105 Å²	105	105.2 Å²	105.2	52%	0.517	55%	0.553	S	S	.	*	H	α-helix	trans	-64.9	-36.6	174.1	-82.3	-169.3	-75.1	0	0	113.2	I390 R391 R392 N398	I390-M394 HydrophobicContact CG2-CE 3.79Å; I390-M394 PolarHBondContact O-N 3.4Å; I390-M394 VanDerWaalsContact O-N 3.16Å; R391-M394 PolarHBondContact O-N 2.93Å; R392-M394 VanDerWaalsContact C-N 3.35Å; R392-M394 PolarHBondContact O-N 3.32Å; M394-N398 PolarHBondContact O-N 2.87Å; M394-N398 PolarHBondContact O-ND2 3.27Å
395	A	70	Confident	66.7	Low	59 Å²	59	109.9 Å²	109.9	49%	0.488	57%	0.567	S	S	.	*	H	α-helix	trans	-65.6	-44.7	175	0	0	0	0	0	111.2	R391 R392 N398 E399	R391-A395 PolarHBondContact O-N 3.22Å; R392-A395 PolarHBondContact O-N 3.31Å; R392-A395 VanDerWaalsContact O-N 3.15Å; A395-N398 PolarHBondContact O-N 3.09Å; A395-E399 PolarHBondContact O-N 3.19Å
396	E	76.3	Confident	65.3	Low	93 Å²	93	107 Å²	107	44%	0.435	57%	0.566	S	S	.	*	H	α-helix	trans	-68	-39.4	-177.7	-161.3	-174	157.3	0	0	113	R392 A393 N398 E399 R400	R392-E396 WeakPolarHBondContact O-CB 3.44Å; R392-E396 PolarHBondContact O-N 3.44Å; A393-E396 PolarHBondContact O-N 3.39Å; E396-N398 VanDerWaalsContact C-N 3.31Å; E396-N398 PolarHBondContact O-N 2.95Å; E396-E399 PolarHBondContact O-N 3.33Å; E396-R400 VanDerWaalsContact O-CG 3.29Å; E396-R400 WeakPolarHBondContact O-CG 3.48Å; E396-R400 PolarHBondContact O-N 2.8Å; E396-R400 IonicContact OE1-CZ 2.59Å; E396-R400 IonicContact OE1-NE 2.89Å; E396-R400 PolarHBondContact OE1-NE 3.21Å; E396-R400 IonicContact OE1-NH2 3.28Å; E396-R400 PolarHBondContact OE1-NH2 2.98Å
397	E	67.2	Low	64.2	Low	135 Å²	135	112.6 Å²	112.6	63%	0.631	58%	0.581	S	S	*	*	H	α-helix	trans	-63	-38.7	172.5	-169.3	177.4	-175.2	0	0	111.2	A393 R400 V401	A393-E397 PolarHBondContact O-N 3Å; E397-R400 PolarHBondContact O-N 2.88Å; E397-V401 WeakPolarHBondContact O-CG2 3.13Å; E397-V401 PolarHBondContact O-N 2.99Å
398	N	69.5	Low	62.5	Low	120 Å²	120	113.2 Å²	113.2	64%	0.642	59%	0.594	S	S	*	*	H	α-helix	trans	-66.8	-36.9	176.2	-81	-67.7	0	0	0	112.8	M394 A395 E396 V401 G402	M394-N398 PolarHBondContact O-N 2.87Å; M394-N398 PolarHBondContact O-ND2 3.27Å; A395-N398 PolarHBondContact O-N 3.09Å; E396-N398 VanDerWaalsContact C-N 3.31Å; E396-N398 PolarHBondContact O-N 2.95Å; N398-V401 PolarHBondContact O-N 3.5Å; N398-G402 PolarHBondContact O-N 3.37Å
399	E	70.5	Confident	60.4	Low	147 Å²	147	113.7 Å²	113.7	69%	0.687	61%	0.608	S	S	*	*	H	α-helix	trans	-67.8	-40.4	172.4	-74.3	-147.7	122.8	0	0	112.8	A395 E396 V401 G402 T403	A395-E399 PolarHBondContact O-N 3.19Å; E396-E399 PolarHBondContact O-N 3.33Å; E399-V401 VanDerWaalsContact C-N 3.29Å; E399-V401 PolarHBondContact O-N 2.64Å; E399-G402 PolarHBondContact O-N 3.46Å; E399-T403 WeakPolarHBondContact O-CG2 3.27Å; E399-T403 PolarHBondContact O-N 2.53Å; E399-T403 PolarHBondContact O-OG1 3.44Å
400	R	67.7	Low	58.3	Low	164 Å²	164	117.5 Å²	117.5	62%	0.619	63%	0.626	S	S	*	*	H	α-helix	trans	-61.5	-36.9	174.7	-69.9	170.2	-176.9	-133.1	8.8	111.5	E396 E397 T403 A404	E396-R400 VanDerWaalsContact O-CG 3.29Å; E396-R400 WeakPolarHBondContact O-CG 3.48Å; E396-R400 PolarHBondContact O-N 2.8Å; E396-R400 IonicContact OE1-CZ 2.59Å; E396-R400 IonicContact OE1-NE 2.89Å; E396-R400 PolarHBondContact OE1-NE 3.21Å; E396-R400 IonicContact OE1-NH2 3.28Å; E396-R400 PolarHBondContact OE1-NH2 2.98Å; E397-R400 PolarHBondContact O-N 2.88Å; R400-T403 PolarHBondContact O-OG1 2.77Å; R400-A404 WeakPolarHBondContact O-CB 3.44Å; R400-A404 PolarHBondContact O-N 2.86Å
401	V	56.2	Low	56.4	Low	81 Å²	81	117.3 Å²	117.3	49%	0.491	64%	0.638	S	S	.	*	H	α-helix	trans	-71.4	-36.9	173.8	172.1	0	0	0	0	112.4	E397 N398 E399	E397-V401 WeakPolarHBondContact O-CG2 3.13Å; E397-V401 PolarHBondContact O-N 2.99Å; N398-V401 PolarHBondContact O-N 3.5Å; E399-V401 VanDerWaalsContact C-N 3.29Å; E399-V401 PolarHBondContact O-N 2.64Å
402	G	52.1	Low	54.4	Low	47 Å²	47	119.3 Å²	119.3	49%	0.485	65%	0.645	S	S	.	*	H	α-helix	trans	-69.8	-37.6	177.1	0	0	0	0	0	114.1	N398 E399 S406	N398-G402 PolarHBondContact O-N 3.37Å; E399-G402 PolarHBondContact O-N 3.46Å; G402-S406 PolarHBondContact O-OG 2.88Å
403	T	52.6	Low	52	Low	89 Å²	89	119.4 Å²	119.4	55%	0.546	65%	0.652	S	S	.	*	H	α-helix	trans	-74.4	-29.9	179.1	47.3	0	0	0	0	113	E399 R400 Q405 S406	E399-T403 WeakPolarHBondContact O-CG2 3.27Å; E399-T403 PolarHBondContact O-N 2.53Å; E399-T403 PolarHBondContact O-OG1 3.44Å; R400-T403 PolarHBondContact O-OG1 2.77Å; T403-Q405 PolarHBondContact O-N 2.79Å; T403-S406 PolarHBondContact O-N 3.47Å; T403-S406 PolarHBondContact O-OG 2.84Å
404	A	46.8	Very low	49.8	Very low	84 Å²	84	125.7 Å²	125.7	69%	0.694	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-18.7	176.7	0	0	0	0	0	114.6	R400	R400-A404 WeakPolarHBondContact O-CB 3.44Å; R400-A404 PolarHBondContact O-N 2.86Å
405	Q	46.8	Very low	48	Very low	168 Å²	168	129.9 Å²	129.9	79%	0.785	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-3.6	-178.2	-63.6	-167.1	1.6	0	0	114.7	T403	T403-Q405 PolarHBondContact O-N 2.79Å
406	S	41.6	Very low	46	Very low	86 Å²	86	135.5 Å²	135.5	60%	0.601	71%	0.707	S	S	*	*	S	Bend	trans	-114	0.2	-169.6	52	0	0	0	0	115.6	G402 T403	G402-S406 PolarHBondContact O-OG 2.88Å; T403-S406 PolarHBondContact O-N 3.47Å; T403-S406 PolarHBondContact O-OG 2.84Å
407	R	42.2	Very low	43.8	Very low	244 Å²	244	139.2 Å²	139.2	92%	0.921	73%	0.729	S	S	*	*			trans	-117.2	52.1	-178.6	-79.8	-176.1	162.4	163.2	-4.2	114.7
408	S	32.9	Very low	42	Very low	104 Å²	104	142.8 Å²	142.8	73%	0.727	74%	0.737	S	S	*	*			trans	-127.9	145.4	158.2	68.8	0	0	0	0	111.1
409	S	30.1	Very low	40.9	Very low	114 Å²	114	142.4 Å²	142.4	80%	0.797	74%	0.741	S	S	*	*			trans	72.8	68.8	174.2	66.8	0	0	0	0	120.5
410	T	33.6	Very low	39.3	Very low	139 Å²	139	142.3 Å²	142.3	85%	0.853	74%	0.738	S	S	*	*				-166	105.8	125.3	30	0	0	0	0	107.5
411	A	30.1	Very low	37.3	Very low	86 Å²	86	144.1 Å²	144.1	71%	0.711	75%	0.745	S	S	*	*				82.3	116.7	91.9	0	0	0	0	0	111.9
412	R	29.3	Very low	36.5	Very low	223 Å²	223	145 Å²	145	84%	0.842	76%	0.755	S	S	*	*				64.6	140.4	68.9	-78.7	-171.4	175.4	-175.8	0.4	113
413	E	30.8	Very low	35.8	Very low	161 Å²	161	152.4 Å²	152.4	75%	0.752	77%	0.774	S	S	*	*			cis	-108.5	-175.2	-4.6	-90.3	104.9	-143.2	0	0	110
414	E	31.3	Very low	34.5	Very low	191 Å²	191	151.9 Å²	151.9	89%	0.893	79%	0.786	S	S	*	*			cis	-128.4	177.7	21.6	-64.4	176.6	134.5	0	0	109.9
415	E	29.6	Very low	34	Very low	193 Å²	193	153.4 Å²	153.4	90%	0.902	79%	0.792	S	S	*	*			cis	-143.4	-178.1	28.8	-155.8	-175.3	-162.8	0	0	111.8
416	Q	29.9	Very low	33.5	Very low	177 Å²	177	152 Å²	152	83%	0.827	79%	0.786	S	S	*	*			trans	-124.2	131.6	-171.1	-56.9	179.3	25.6	0	0	114.3
417	N	29	Very low	33.2	Very low	170 Å²	170	157 Å²	157	91%	0.909	79%	0.791	S	S	*	*				-159.3	168.1	124	-112.2	-59.1	0	0	0	114.3
418	R	29.9	Very low	32.8	Very low	211 Å²	211	150.6 Å²	150.6	80%	0.796	78%	0.775	S	S	*	*			trans	-113	167.3	-165.2	-93.8	175.3	165.3	-175.6	-2.2	112.5
419	P	45.3	Very low	32.9	Very low	111 Å²	111	153.1 Å²	153.1	72%	0.721	78%	0.775	S	S	*	*			cis	-128.9	-155.9	26.9	29.3	-5.3	0	0	0	114
420	K	37.5	Very low	33.1	Very low	145 Å²	145	153.3 Å²	153.3	63%	0.63	78%	0.777	S	S	*	*				-154.8	-165	-59.2	-82.2	169.6	-166.8	174.9	0	105
421	W	26.6	Very low	33.3	Very low	202 Å²	202	155.6 Å²	155.6	77%	0.765	78%	0.775	S	S	*	*			cis	-158.2	100.7	8	-163.7	-67.4	0	0	0	113.3
422	S	39.4	Very low	33.3	Very low	101 Å²	101	157.9 Å²	157.9	71%	0.706	78%	0.78	S	S	*	*			trans	71.7	159.1	158.8	88.8	0	0	0	0	119.5
423	K	36.2	Very low	33.6	Very low	202 Å²	202	152.8 Å²	152.8	88%	0.878	78%	0.779	S	S	*	*			cis	-160.4	139.5	4	-149.1	177.2	-179.8	-175.4	0	114.5
424	G	26.6	Very low	34.3	Very low	78 Å²	78	156.2 Å²	156.2	80%	0.804	79%	0.785	S	S	*	*			trans	77.6	168.5	161.9	0	0	0	0	0	118
425	S	35.7	Very low	34.5	Very low	116 Å²	116	155.9 Å²	155.9	81%	0.811	78%	0.783	S	S	*	*			cis	172.7	144.9	-20	176.1	0	0	0	0	108.5
426	E	36.3	Very low	35.3	Very low	139 Å²	139	150 Å²	150	65%	0.65	77%	0.774	S	S	*	*			cis	-168.5	158	-22.2	-166.7	-171.3	122.2	0	0	110.4
427	R	34.4	Very low	36.2	Very low	191 Å²	191	150.9 Å²	150.9	72%	0.721	78%	0.775	S	S	*	*			trans	80.7	129.5	146.6	-108.1	-172.8	172.7	112.8	1	125.4
428	N	33.8	Very low	37.1	Very low	108 Å²	108	153 Å²	153	58%	0.578	78%	0.776	S	S	*	*			trans	64.5	153.5	130.1	-80.1	28.4	0	0	0	122.9
429	E	34.8	Very low	38.4	Very low	158 Å²	158	148.9 Å²	148.9	74%	0.738	77%	0.769	S	S	*	*			cis	-167.4	162.6	-12.9	-128.9	168.5	-153.7	0	0	114
430	S	35.3	Very low	39.3	Very low	118 Å²	118	148.5 Å²	148.5	83%	0.825	76%	0.761	S	S	*	*			trans	75	-176.4	148.8	81.8	0	0	0	0	122.1
431	K	36.8	Very low	40.5	Very low	187 Å²	187	149.1 Å²	149.1	81%	0.813	76%	0.764	S	S	*	*				-159.1	159.9	-92.4	-147.7	171.4	-172.6	174.3	0	112.8
432	T	31.5	Very low	42.5	Very low	133 Å²	133	144.3 Å²	144.3	82%	0.816	76%	0.757	S	S	*	*			trans	71.6	165	172.1	82.9	0	0	0	0	115.8
433	S	34.6	Very low	43.8	Very low	117 Å²	117	141.5 Å²	141.5	82%	0.818	74%	0.74	S	S	*	*			cis	-149.7	173.5	4.3	-162.2	0	0	0	0	112.9
434	R	45.7	Very low	45.4	Very low	233 Å²	233	134.2 Å²	134.2	88%	0.879	72%	0.717	S	S	*	*			trans	-76.2	128.2	179.8	-75.7	171.6	155.5	-178.8	-7.5	113.7
435	H	35.4	Very low	47.6	Very low	183 Å²	183	137.3 Å²	137.3	85%	0.847	71%	0.709	S	S	*	*			trans	-161.5	139.6	140.8	-117.6	67.1	0	0	0	111.8
436	G	46	Very low	49.2	Very low	70 Å²	70	137.9 Å²	137.9	72%	0.722	70%	0.698	S	S	*	*			trans	-73.9	148	176.6	0	0	0	0	0	112.6
437	K	50	Low	50.9	Low	196 Å²	196	140.3 Å²	140.3	85%	0.852	70%	0.702	S	S	*	*			trans	-152.5	149.5	174.7	-103.3	154	-173	175	0	110.9
438	F	46.8	Very low	52.8	Low	213 Å²	213	135.8 Å²	135.8	93%	0.934	69%	0.688	S	S	*	*			trans	-63.9	146.5	-172	-68.7	-102.6	0	0	0	113.4	N440	F438-N440 PolarHBondContact O-N 2.74Å
439	I	56.7	Low	54.9	Low	125 Å²	125	135.1 Å²	135.1	64%	0.641	68%	0.684	S	S	*	*			trans	-73.1	116.7	171	-63.3	173.7	0	0	0	108.9	F441	I439-F441 HydrophobicContact CB-CE2 4.48Å; I439-F441 HydrophobicContact CB-CZ 4.36Å; I439-F441 HydrophobicContact CG2-CD1 4.17Å; I439-F441 HydrophobicContact CG2-CE1 4.03Å; I439-F441 HydrophobicContact CG2-CE2 4.44Å; I439-F441 HydrophobicContact CG2-CG 4.44Å; I439-F441 HydrophobicContact CG2-CZ 4.17Å; I439-F441 WeakPolarHBondContact O-CD2 3.41Å; I439-F441 PolarHBondContact O-N 3.31Å
440	N	65.3	Low	56.8	Low	104 Å²	104	131.3 Å²	131.3	56%	0.556	68%	0.675	S	S	*	*			trans	-85.5	96.7	171.2	-176.5	-22.1	0	0	0	109.7	F438 V442 A443 A444	F438-N440 PolarHBondContact O-N 2.74Å; N440-V442 PolarHBondContact O-N 2.89Å; N440-V442 WeakPolarHBondContact OD1-CB 3.45Å; N440-V442 PolarHBondContact OD1-N 3.43Å; N440-V442 VanDerWaalsContact OD1-N 3.14Å; N440-A443 HydrophobicContact CB-CB 4.31Å; N440-A443 PolarHBondContact O-N 2.94Å; N440-A443 PolarHBondContact OD1-N 3.21Å; N440-A444 PolarHBondContact O-N 3.49Å; N440-A444 VanDerWaalsContact O-N 3.15Å
441	F	62.7	Low	58.8	Low	158 Å²	158	133.4 Å²	133.4	69%	0.693	67%	0.669	S	S	*	*	H	α-helix	trans	-59.5	-28.5	-177.6	-64.8	-81.7	0	0	0	114.2	I439 A444 K445	I439-F441 HydrophobicContact CB-CE2 4.48Å; I439-F441 HydrophobicContact CB-CZ 4.36Å; I439-F441 HydrophobicContact CG2-CD1 4.17Å; I439-F441 HydrophobicContact CG2-CE1 4.03Å; I439-F441 HydrophobicContact CG2-CE2 4.44Å; I439-F441 HydrophobicContact CG2-CG 4.44Å; I439-F441 HydrophobicContact CG2-CZ 4.17Å; I439-F441 WeakPolarHBondContact O-CD2 3.41Å; I439-F441 PolarHBondContact O-N 3.31Å; F441-A444 PolarHBondContact O-N 3.12Å; F441-K445 WeakPolarHBondContact O-CB 2.96Å; F441-K445 PolarHBondContact O-N 3.29Å
442	V	68.6	Low	60.9	Low	101 Å²	101	130.3 Å²	130.3	61%	0.612	66%	0.656	S	S	*	*	H	α-helix	trans	-66	-48.2	176.5	-175	0	0	0	0	110	N440 A444 K445 Q446	N440-V442 PolarHBondContact O-N 2.89Å; N440-V442 WeakPolarHBondContact OD1-CB 3.45Å; N440-V442 PolarHBondContact OD1-N 3.43Å; N440-V442 VanDerWaalsContact OD1-N 3.14Å; V442-A444 VanDerWaalsContact C-N 3.28Å; V442-A444 PolarHBondContact O-N 3.22Å; V442-K445 PolarHBondContact O-N 3.44Å; V442-Q446 WeakPolarHBondContact O-CB 3.44Å; V442-Q446 PolarHBondContact O-N 2.81Å
443	A	66.9	Low	63.3	Low	42 Å²	42	128.1 Å²	128.1	35%	0.347	64%	0.642	S	S	.	*	H	α-helix	trans	-65.5	-29.9	177.3	0	0	0	0	0	112.8	N440 R447	N440-A443 HydrophobicContact CB-CB 4.31Å; N440-A443 PolarHBondContact O-N 2.94Å; N440-A443 PolarHBondContact OD1-N 3.21Å; A443-R447 VanDerWaalsContact O-CG 3.29Å; A443-R447 WeakPolarHBondContact O-CG 3.5Å; A443-R447 PolarHBondContact O-N 3.48Å
444	A	69.3	Low	65.3	Low	49 Å²	49	124.9 Å²	124.9	41%	0.405	62%	0.622	S	S	.	*	H	α-helix	trans	-68	-53.4	173	0	0	0	0	0	111.7	N440 F441 V442 Q446 R447 E448	N440-A444 PolarHBondContact O-N 3.49Å; N440-A444 VanDerWaalsContact O-N 3.15Å; F441-A444 PolarHBondContact O-N 3.12Å; V442-A444 VanDerWaalsContact C-N 3.28Å; V442-A444 PolarHBondContact O-N 3.22Å; A444-Q446 VanDerWaalsContact C-N 3.27Å; A444-Q446 PolarHBondContact O-N 3.17Å; A444-R447 PolarHBondContact O-N 2.72Å; A444-R447 VanDerWaalsContact O-N 3.15Å; A444-E448 PolarHBondContact O-N 3.42Å
445	K	72	Confident	66.9	Low	143 Å²	143	117.8 Å²	117.8	62%	0.622	61%	0.605	S	S	*	*	H	α-helix	trans	-58.4	-38.3	179.3	-172.3	170.4	-175.6	172.3	0	112.2	F441 V442 E448 I449	F441-K445 WeakPolarHBondContact O-CB 2.96Å; F441-K445 PolarHBondContact O-N 3.29Å; V442-K445 PolarHBondContact O-N 3.44Å; K445-E448 WeakPolarHBondContact O-CB 3.46Å; K445-E448 PolarHBondContact O-N 2.93Å; K445-I449 HydrophobicContact CG-CD1 4.29Å; K445-I449 WeakPolarHBondContact O-CG1 3.29Å; K445-I449 PolarHBondContact O-N 2.87Å
446	Q	69.6	Low	69.1	Low	128 Å²	128	116.9 Å²	116.9	60%	0.598	60%	0.598	S	S	*	*	H	α-helix	trans	-70.2	-37	179.5	-146.7	155	7.5	0	0	112.2	V442 A444 I449 S450	V442-Q446 WeakPolarHBondContact O-CB 3.44Å; V442-Q446 PolarHBondContact O-N 2.81Å; A444-Q446 VanDerWaalsContact C-N 3.27Å; A444-Q446 PolarHBondContact O-N 3.17Å; Q446-I449 PolarHBondContact O-N 3.07Å; Q446-S450 PolarHBondContact O-N 3.49Å; Q446-S450 PolarHBondContact O-OG 3.34Å
447	R	71.8	Confident	70.8	Confident	190 Å²	190	120.2 Å²	120.2	72%	0.717	60%	0.595	S	S	*	*	H	α-helix	trans	-65.9	-35.5	171.2	-74.3	171.3	178.5	177.8	-0.3	112.9	A443 A444 S450 K451	A443-R447 VanDerWaalsContact O-CG 3.29Å; A443-R447 WeakPolarHBondContact O-CG 3.5Å; A443-R447 PolarHBondContact O-N 3.48Å; A444-R447 PolarHBondContact O-N 2.72Å; A444-R447 VanDerWaalsContact O-N 3.15Å; R447-S450 PolarHBondContact O-N 2.93Å; R447-K451 PolarHBondContact O-N 3.46Å
448	E	75.7	Confident	72	Confident	95 Å²	95	116.9 Å²	116.9	44%	0.444	58%	0.584	S	S	.	*	H	α-helix	trans	-65.1	-44.8	175.6	-164.1	-153.2	136.6	0	0	111.5	A444 K445 K451 K452	A444-E448 PolarHBondContact O-N 3.42Å; K445-E448 WeakPolarHBondContact O-CB 3.46Å; K445-E448 PolarHBondContact O-N 2.93Å; E448-K451 PolarHBondContact O-N 2.84Å; E448-K452 PolarHBondContact O-N 2.93Å; E448-K452 VanDerWaalsContact OE1-CE 3.29Å; E448-K452 WeakPolarHBondContact OE1-CE 3.44Å; E448-K452 IonicContact OE1-NZ 3.67Å; E448-K452 PolarHBondContact OE1-NZ 3.5Å
449	I	76.9	Confident	73.6	Confident	94 Å²	94	113.6 Å²	113.6	48%	0.482	57%	0.57	S	S	.	*	H	α-helix	trans	-61.4	-46.2	174.1	-66	164.7	0	0	0	110.3	K445 Q446 K451 K452 V453	K445-I449 HydrophobicContact CG-CD1 4.29Å; K445-I449 WeakPolarHBondContact O-CG1 3.29Å; K445-I449 PolarHBondContact O-N 2.87Å; Q446-I449 PolarHBondContact O-N 3.07Å; I449-K451 VanDerWaalsContact C-N 3.34Å; I449-K451 PolarHBondContact O-N 2.91Å; I449-K452 PolarHBondContact O-N 2.81Å; I449-K452 VanDerWaalsContact O-N 3.17Å; I449-V453 WeakPolarHBondContact O-CG2 3.14Å; I449-V453 PolarHBondContact O-N 2.82Å
450	S	74.4	Confident	74.6	Confident	78 Å²	78	115.9 Å²	115.9	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-59.8	-40.4	175	-62.9	0	0	0	0	112.8	Q446 R447 V453 A454	Q446-S450 PolarHBondContact O-N 3.49Å; Q446-S450 PolarHBondContact O-OG 3.34Å; R447-S450 PolarHBondContact O-N 2.93Å; S450-V453 PolarHBondContact O-N 2.8Å; S450-A454 VanDerWaalsContact O-CB 3.32Å; S450-A454 WeakPolarHBondContact O-CB 3.47Å; S450-A454 PolarHBondContact O-N 2.94Å
451	K	78.3	Confident	75.2	Confident	163 Å²	163	112.9 Å²	112.9	71%	0.709	56%	0.557	S	S	*	*	H	α-helix	trans	-60.7	-48.3	171.9	-88.1	-167.2	171.6	-170.6	0	111.5	R447 E448 I449 V453 A454 T455	R447-K451 PolarHBondContact O-N 3.46Å; E448-K451 PolarHBondContact O-N 2.84Å; I449-K451 VanDerWaalsContact C-N 3.34Å; I449-K451 PolarHBondContact O-N 2.91Å; K451-V453 VanDerWaalsContact C-N 3.28Å; K451-V453 PolarHBondContact O-N 2.98Å; K451-A454 PolarHBondContact O-N 2.93Å; K451-T455 WeakPolarHBondContact O-CG2 3.42Å; K451-T455 PolarHBondContact O-N 2.9Å; K451-T455 PolarHBondContact O-OG1 2.98Å
452	K	81.3	Confident	75.8	Confident	122 Å²	122	108.9 Å²	108.9	53%	0.53	55%	0.546	S	S	.	.	H	α-helix	trans	-64.7	-28.4	-179.5	-77.1	175.2	169.8	172.9	0	113.3	E448 I449 T455 K456	E448-K452 PolarHBondContact O-N 2.93Å; E448-K452 VanDerWaalsContact OE1-CE 3.29Å; E448-K452 WeakPolarHBondContact OE1-CE 3.44Å; E448-K452 IonicContact OE1-NZ 3.67Å; E448-K452 PolarHBondContact OE1-NZ 3.5Å; I449-K452 PolarHBondContact O-N 2.81Å; I449-K452 VanDerWaalsContact O-N 3.17Å; K452-T455 PolarHBondContact O-OG1 2.94Å; K452-K456 WeakPolarHBondContact O-CG 3.38Å
453	V	81.9	Confident	76	Confident	86 Å²	86	109.6 Å²	109.6	52%	0.521	54%	0.543	S	S	.	.	H	α-helix	trans	-75	-47.5	169.8	173.7	0	0	0	0	110.9	I449 S450 K451 T455 K456 Q457	I449-V453 WeakPolarHBondContact O-CG2 3.14Å; I449-V453 PolarHBondContact O-N 2.82Å; S450-V453 PolarHBondContact O-N 2.8Å; K451-V453 VanDerWaalsContact C-N 3.28Å; K451-V453 PolarHBondContact O-N 2.98Å; V453-T455 VanDerWaalsContact C-N 3.35Å; V453-T455 PolarHBondContact O-N 2.79Å; V453-K456 PolarHBondContact O-N 2.96Å; V453-Q457 PolarHBondContact O-N 2.65Å
454	A	76.8	Confident	76.3	Confident	49 Å²	49	111.7 Å²	111.7	41%	0.405	55%	0.547	S	S	.	.	H	α-helix	trans	-61.3	-38.4	-179.8	0	0	0	0	0	113	S450 K451 Q457 M458	S450-A454 VanDerWaalsContact O-CB 3.32Å; S450-A454 WeakPolarHBondContact O-CB 3.47Å; S450-A454 PolarHBondContact O-N 2.94Å; K451-A454 PolarHBondContact O-N 2.93Å; A454-Q457 PolarHBondContact O-N 3.44Å; A454-M458 WeakPolarHBondContact O-CB 3.27Å; A454-M458 PolarHBondContact O-N 3.39Å
455	T	79	Confident	76.2	Confident	84 Å²	84	114.5 Å²	114.5	52%	0.515	56%	0.555	S	S	.	*	H	α-helix	trans	-68.6	-35.7	175.8	53.2	0	0	0	0	112.7	K451 K452 V453 K459	K451-T455 WeakPolarHBondContact O-CG2 3.42Å; K451-T455 PolarHBondContact O-N 2.9Å; K451-T455 PolarHBondContact O-OG1 2.98Å; K452-T455 PolarHBondContact O-OG1 2.94Å; V453-T455 VanDerWaalsContact C-N 3.35Å; V453-T455 PolarHBondContact O-N 2.79Å; T455-K459 PolarHBondContact O-N 3.03Å
456	K	81.9	Confident	75.9	Confident	164 Å²	164	118.3 Å²	118.3	71%	0.713	57%	0.566	S	S	*	*	H	α-helix	trans	-67.4	-39.7	172	-74.9	-174	176	-168.2	0	112.1	K452 V453 R460	K452-K456 WeakPolarHBondContact O-CG 3.38Å; V453-K456 PolarHBondContact O-N 2.96Å; K456-R460 WeakPolarHBondContact O-CB 3.5Å; K456-R460 PolarHBondContact O-N 3.44Å; K456-R460 VanDerWaalsContact O-N 3.1Å
457	Q	80.5	Confident	75.7	Confident	140 Å²	140	118.9 Å²	118.9	65%	0.654	57%	0.572	S	S	*	*	H	α-helix	trans	-65.9	-41.4	175	-172.6	174.1	-1	0	0	111.8	V453 A454 R460 S461	V453-Q457 PolarHBondContact O-N 2.65Å; A454-Q457 PolarHBondContact O-N 3.44Å; Q457-R460 PolarHBondContact O-N 3.17Å; Q457-S461 WeakPolarHBondContact O-CB 3.47Å; Q457-S461 PolarHBondContact O-N 2.87Å; Q457-S461 PolarHBondContact O-OG 2.9Å
458	M	75.8	Confident	75.2	Confident	126 Å²	126	115.3 Å²	115.3	62%	0.621	57%	0.566	S	S	*	*	H	α-helix	trans	-59.1	-53.1	173.8	-87.4	-79.6	135.9	0	0	111.8	A454 R460 S461 T462	A454-M458 WeakPolarHBondContact O-CB 3.27Å; A454-M458 PolarHBondContact O-N 3.39Å; M458-R460 PolarHBondContact O-N 2.94Å; M458-S461 WeakPolarHBondContact CA-OG 3.46Å; M458-S461 PolarHBondContact O-N 3.38Å; M458-S461 PolarHBondContact O-OG 3.24Å; M458-T462 PolarHBondContact O-N 3.27Å; M458-T462 PolarHBondContact O-OG1 3.47Å
459	K	81.2	Confident	73.8	Confident	145 Å²	145	118 Å²	118	63%	0.63	58%	0.583	S	S	*	*	H	α-helix	trans	-54.7	-49.5	177.3	-76.4	-165.3	172	-161.7	0	112.3	T455 S461 T462 E463	T455-K459 PolarHBondContact O-N 3.03Å; K459-S461 VanDerWaalsContact C-N 3.28Å; K459-S461 PolarHBondContact O-N 2.71Å; K459-T462 WeakPolarHBondContact CA-OG1 3.37Å; K459-T462 PolarHBondContact O-N 3.45Å; K459-T462 VanDerWaalsContact O-N 3.17Å; K459-T462 PolarHBondContact O-OG1 3.26Å; K459-E463 WeakPolarHBondContact O-CB 3.12Å; K459-E463 VanDerWaalsContact O-CG 3.32Å; K459-E463 WeakPolarHBondContact O-CG 3.46Å; K459-E463 PolarHBondContact O-N 3.48Å
460	R	77.1	Confident	72.8	Confident	172 Å²	172	120 Å²	120	65%	0.649	60%	0.595	S	S	*	*	H	α-helix	trans	-60.9	-34.4	176.4	-175.9	173.4	176.2	167.3	1.1	112.9	K456 Q457 M458 L464	K456-R460 WeakPolarHBondContact O-CB 3.5Å; K456-R460 PolarHBondContact O-N 3.44Å; K456-R460 VanDerWaalsContact O-N 3.1Å; Q457-R460 PolarHBondContact O-N 3.17Å; M458-R460 PolarHBondContact O-N 2.94Å; R460-L464 HydrophobicContact CG-CD1 4.09Å; R460-L464 WeakPolarHBondContact O-CB 3.47Å; R460-L464 WeakPolarHBondContact O-CG 3.48Å; R460-L464 PolarHBondContact O-N 2.8Å
461	S	76.9	Confident	71.4	Confident	42 Å²	42	122.7 Å²	122.7	29%	0.294	60%	0.603	S	S	.	*	H	α-helix	trans	-71.4	-37	176.3	70.2	0	0	0	0	112.8	Q457 M458 K459 L464 L465	Q457-S461 WeakPolarHBondContact O-CB 3.47Å; Q457-S461 PolarHBondContact O-N 2.87Å; Q457-S461 PolarHBondContact O-OG 2.9Å; M458-S461 WeakPolarHBondContact CA-OG 3.46Å; M458-S461 PolarHBondContact O-N 3.38Å; M458-S461 PolarHBondContact O-OG 3.24Å; K459-S461 VanDerWaalsContact C-N 3.28Å; K459-S461 PolarHBondContact O-N 2.71Å; S461-L464 PolarHBondContact O-N 3.48Å; S461-L465 WeakPolarHBondContact O-CB 3.19Å; S461-L465 WeakPolarHBondContact O-CG 3.49Å; S461-L465 PolarHBondContact O-N 2.8Å
462	T	76	Confident	70.1	Confident	74 Å²	74	123.6 Å²	123.6	45%	0.454	61%	0.607	S	S	.	*	H	α-helix	trans	-71.9	-32.7	174.5	47.4	0	0	0	0	112.9	M458 K459 R466	M458-T462 PolarHBondContact O-N 3.27Å; M458-T462 PolarHBondContact O-OG1 3.47Å; K459-T462 WeakPolarHBondContact CA-OG1 3.37Å; K459-T462 PolarHBondContact O-N 3.45Å; K459-T462 VanDerWaalsContact O-N 3.17Å; K459-T462 PolarHBondContact O-OG1 3.26Å; T462-R466 PolarHBondContact O-N 3.22Å
463	E	73.2	Confident	68.4	Low	116 Å²	116	122.6 Å²	122.6	54%	0.542	62%	0.615	S	S	.	*	H	α-helix	trans	-68.7	-39.8	172.5	-71.9	155.2	-167.9	0	0	111.4	K459	K459-E463 WeakPolarHBondContact O-CB 3.12Å; K459-E463 VanDerWaalsContact O-CG 3.32Å; K459-E463 WeakPolarHBondContact O-CG 3.46Å; K459-E463 PolarHBondContact O-N 3.48Å
464	L	71.9	Confident	66.6	Low	85 Å²	85	127.4 Å²	127.4	45%	0.445	64%	0.635	S	S	.	*	H	α-helix	trans	-70.7	-35.9	175.3	-78.6	167.9	0	0	0	113.5	R460 S461 R466 L467 I468	R460-L464 HydrophobicContact CG-CD1 4.09Å; R460-L464 WeakPolarHBondContact O-CB 3.47Å; R460-L464 WeakPolarHBondContact O-CG 3.48Å; R460-L464 PolarHBondContact O-N 2.8Å; S461-L464 PolarHBondContact O-N 3.48Å; L464-R466 VanDerWaalsContact C-N 3.32Å; L464-R466 PolarHBondContact O-N 2.88Å; L464-L467 PolarHBondContact O-N 3.48Å; L464-L467 VanDerWaalsContact O-N 3.11Å; L464-I468 WeakPolarHBondContact O-CD1 3.4Å; L464-I468 WeakPolarHBondContact O-CG1 3.47Å
465	L	67.9	Low	65.4	Low	109 Å²	109	131.9 Å²	131.9	57%	0.571	66%	0.657	S	S	*	*	H	α-helix	trans	-62.5	-39.7	176.5	-80.2	163.6	0	0	0	111.7	S461 L467 I468	S461-L465 WeakPolarHBondContact O-CB 3.19Å; S461-L465 WeakPolarHBondContact O-CG 3.49Å; S461-L465 PolarHBondContact O-N 2.8Å; L465-L467 PolarHBondContact O-N 3.26Å; L465-I468 PolarHBondContact O-N 3.46Å; L465-I468 VanDerWaalsContact O-N 3.07Å
466	R	65.6	Low	64.2	Low	222 Å²	222	135.3 Å²	135.3	84%	0.838	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-6.7	173.8	-75.3	-179.8	170.5	-176.7	-4.6	115	T462 L464	T462-R466 PolarHBondContact O-N 3.22Å; L464-R466 VanDerWaalsContact C-N 3.32Å; L464-R466 PolarHBondContact O-N 2.88Å
467	L	65.4	Low	62.5	Low	141 Å²	141	131.4 Å²	131.4	74%	0.738	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	5.4	176.8	-66.5	169.1	0	0	0	112.9	L464 L465	L464-L467 PolarHBondContact O-N 3.48Å; L464-L467 VanDerWaalsContact O-N 3.11Å; L465-L467 PolarHBondContact O-N 3.26Å
468	I	62.2	Low	61.4	Low	114 Å²	114	131.1 Å²	131.1	59%	0.585	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	-15.9	-170.4	-67.7	172.6	0	0	0	113	L464 L465 L470	L464-I468 WeakPolarHBondContact O-CD1 3.4Å; L464-I468 WeakPolarHBondContact O-CG1 3.47Å; L465-I468 PolarHBondContact O-N 3.46Å; L465-I468 VanDerWaalsContact O-N 3.07Å; I468-L470 PolarHBondContact O-N 3.42Å
469	D	46.3	Very low	60.3	Low	151 Å²	151	132.6 Å²	132.6	81%	0.807	67%	0.67	S	S	*	*			trans	-68.3	103.7	172.2	-73.4	-32.5	0	0	0	110.6
470	L	54.3	Low	59.2	Low	138 Å²	138	133 Å²	133	72%	0.723	68%	0.68	S	S	*	*			trans	-84.4	139.6	176.1	-72.1	167	0	0	0	110.8	I468 F472	I468-L470 PolarHBondContact O-N 3.42Å; L470-F472 HydrophobicContact CB-CE2 3.92Å; L470-F472 HydrophobicContact CB-CZ 4.44Å; L470-F472 WeakPolarHBondContact O-CD2 3.38Å; L470-F472 PolarHBondContact O-N 2.88Å
471	D	44.9	Very low	58.4	Low	133 Å²	133	130.4 Å²	130.4	71%	0.711	68%	0.677	S	S	*	*			trans	-75.3	121.3	178.6	-171.3	-1.6	0	0	0	111.5	S473	D471-S473 WeakPolarHBondContact OD1-CB 3.18Å; D471-S473 PolarHBondContact OD1-N 3.31Å; D471-S473 PolarHBondContact OD1-OG 2.87Å
472	F	51.7	Low	57.6	Low	182 Å²	182	133.3 Å²	133.3	80%	0.798	70%	0.695	S	S	*	*			trans	-110.2	21.1	179.1	-75.5	-78.5	0	0	0	112.9	L470	L470-F472 HydrophobicContact CB-CE2 3.92Å; L470-F472 HydrophobicContact CB-CZ 4.44Å; L470-F472 WeakPolarHBondContact O-CD2 3.38Å; L470-F472 PolarHBondContact O-N 2.88Å
473	S	45.5	Very low	56.9	Low	101 Å²	101	136 Å²	136	71%	0.706	71%	0.714	S	S	*	*			trans	-84.2	-5.2	-169.9	-50.5	0	0	0	0	116.1	D471	D471-S473 WeakPolarHBondContact OD1-CB 3.18Å; D471-S473 PolarHBondContact OD1-N 3.31Å; D471-S473 PolarHBondContact OD1-OG 2.87Å
474	M	44.9	Very low	56.4	Low	188 Å²	188	135.2 Å²	135.2	93%	0.926	72%	0.717	S	S	*	*			trans	-115.2	90.9	-178	-77.1	-160.1	171.1	0	0	114.3
475	T	51.9	Low	56.3	Low	143 Å²	143	134 Å²	134	88%	0.877	72%	0.716	S	S	*	*			trans	-86.3	102.2	162.5	52.7	0	0	0	0	110.8
476	F	54	Low	56	Low	155 Å²	155	137 Å²	137	68%	0.68	73%	0.726	S	S	*	*			trans	-85.8	142.5	176.5	168.9	-108.1	0	0	0	112.6	L478	F476-L478 HydrophobicContact CD1-CD1 4.49Å; F476-L478 HydrophobicContact CE1-CB 4.49Å; F476-L478 HydrophobicContact CE1-CD1 3.89Å
477	S	45.8	Very low	56.1	Low	83 Å²	83	133.7 Å²	133.7	58%	0.58	72%	0.715	S	S	*	*			trans	-95.2	117.1	176.5	-172.9	0	0	0	0	111.4	L479	S477-L479 VanDerWaalsContact C-N 3.32Å; S477-L479 PolarHBondContact O-N 3.36Å
478	L	56.2	Low	56.1	Low	133 Å²	133	131.6 Å²	131.6	70%	0.696	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	6.2	-163.3	-169.2	54.8	0	0	0	115.8	F476	F476-L478 HydrophobicContact CD1-CD1 4.49Å; F476-L478 HydrophobicContact CE1-CB 4.49Å; F476-L478 HydrophobicContact CE1-CD1 3.89Å
479	L	54.3	Low	56.2	Low	158 Å²	158	132.8 Å²	132.8	83%	0.827	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	-2.6	-163.1	-75	171.8	0	0	0	117.5	S477	S477-L479 VanDerWaalsContact C-N 3.32Å; S477-L479 PolarHBondContact O-N 3.36Å
480	D	56.1	Low	57	Low	154 Å²	154	131.5 Å²	131.5	82%	0.824	69%	0.691	S	S	*	*			trans	-111.9	57.2	175.4	-76.1	-60.1	0	0	0	111.9
481	I	62	Low	57.6	Low	117 Å²	117	127 Å²	127	60%	0.6	67%	0.667	S	S	*	*			trans	-102.5	114.7	170.8	-57.6	178.2	0	0	0	108.4
482	P	58.4	Low	58.5	Low	103 Å²	103	129.7 Å²	129.7	67%	0.669	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-67.3	157.8	177.2	28.6	-34.5	0	0	0	111.6	V484	P482-V484 PolarHBondContact O-N 2.88Å
483	P	63	Low	58.9	Low	131 Å²	131	124.5 Å²	124.5	85%	0.851	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-62.4	126.2	-178.6	24.9	-33.8	0	0	0	111.8
484	V	62.9	Low	59.4	Low	99 Å²	99	124.4 Å²	124.4	60%	0.6	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-51	131.5	179.3	174.9	0	0	0	0	111.3	P482 E488	P482-V484 PolarHBondContact O-N 2.88Å; V484-E488 HydrophobicContact CG1-CB 3.48Å; V484-E488 VanDerWaalsContact CG1-CB 3.48Å; V484-E488 HydrophobicContact CG1-CG 4.36Å
485	S	68.3	Low	60.2	Low	60 Å²	60	117 Å²	117	42%	0.42	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-66.9	152	-175.7	-179.8	0	0	0	0	112.7	Y487 E488 M489	S485-Y487 PolarHBondContact O-N 2.9Å; S485-Y487 VanDerWaalsContact O-N 3.17Å; S485-Y487 PolarHBondContact OG-N 3.41Å; S485-E488 WeakPolarHBondContact CB-OE2 3.36Å; S485-E488 PolarHBondContact N-OE2 3.09Å; S485-E488 PolarHBondContact O-N 3.02Å; S485-M489 PolarHBondContact O-N 3.26Å
486	E	62.3	Low	60.6	Low	170 Å²	170	117.6 Å²	117.6	79%	0.794	62%	0.616	S	S	*	*	H	α-helix	trans	-54.8	-33.4	170.6	-64.7	-171.5	157.2	0	0	111.5	M489 Y490	E486-M489 PolarHBondContact O-N 3.04Å; E486-Y490 WeakPolarHBondContact O-CB 3.5Å; E486-Y490 PolarHBondContact O-N 3.43Å
487	Y	67.8	Low	60.8	Low	154 Å²	154	114.1 Å²	114.1	60%	0.604	62%	0.615	S	S	*	*	H	α-helix	trans	-63.9	-39.9	174.1	179.6	-101.3	0	0	0	112.7	S485 Y490 I491	S485-Y487 PolarHBondContact O-N 2.9Å; S485-Y487 VanDerWaalsContact O-N 3.17Å; S485-Y487 PolarHBondContact OG-N 3.41Å; Y487-Y490 WeakPolarHBondContact O-CB 3.42Å; Y487-Y490 PolarHBondContact O-N 3.36Å; Y487-I491 HydrophobicContact CE1-CD1 3.98Å; Y487-I491 HydrophobicContact CE1-CG1 4.25Å; Y487-I491 HydrophobicContact CE2-CD1 3.83Å; Y487-I491 WeakPolarHBondContact O-CB 3.32Å; Y487-I491 PolarHBondContact O-N 3.33Å; Y487-I491 WeakPolarHBondContact OH-CD1 3.25Å
488	E	64.5	Low	61.4	Low	96 Å²	96	118.4 Å²	118.4	45%	0.449	63%	0.632	S	S	.	*	H	α-helix	trans	-73.5	-34.9	178.7	-68.1	172.4	102.9	0	0	111.6	V484 S485 Y490 I491 K492	V484-E488 HydrophobicContact CG1-CB 3.48Å; V484-E488 VanDerWaalsContact CG1-CB 3.48Å; V484-E488 HydrophobicContact CG1-CG 4.36Å; S485-E488 WeakPolarHBondContact CB-OE2 3.36Å; S485-E488 PolarHBondContact N-OE2 3.09Å; S485-E488 PolarHBondContact O-N 3.02Å; E488-Y490 VanDerWaalsContact C-N 3.33Å; E488-I491 PolarHBondContact O-N 3.15Å; E488-K492 VanDerWaalsContact O-CB 3.28Å; E488-K492 WeakPolarHBondContact O-CB 3.39Å; E488-K492 PolarHBondContact O-N 3.29Å
489	M	65	Low	61.9	Low	139 Å²	139	115.9 Å²	115.9	69%	0.685	62%	0.622	S	S	*	*	H	α-helix	trans	-65.6	-38.3	171.2	-170.1	168	64.5	0	0	111.5	S485 E486	S485-M489 PolarHBondContact O-N 3.26Å; E486-M489 PolarHBondContact O-N 3.04Å
490	Y	63.8	Low	62.4	Low	124 Å²	124	117.4 Å²	117.4	49%	0.486	63%	0.625	S	S	.	*	H	α-helix	trans	-62.1	-52.7	170.2	173.9	-98.3	0	0	0	111.5	E486 Y487 E488 K492 S493 F494	E486-Y490 WeakPolarHBondContact O-CB 3.5Å; E486-Y490 PolarHBondContact O-N 3.43Å; Y487-Y490 WeakPolarHBondContact O-CB 3.42Å; Y487-Y490 PolarHBondContact O-N 3.36Å; E488-Y490 VanDerWaalsContact C-N 3.33Å; Y490-K492 PolarHBondContact O-N 2.95Å; Y490-S493 CarbonylContact O-C 3.58Å; Y490-S493 WeakPolarHBondContact O-CA 3.31Å; Y490-S493 PolarHBondContact O-N 2.86Å; Y490-S493 PolarHBondContact O-OG 2.93Å; Y490-F494 AromaticContact CE1-CD2 3.89Å; Y490-F494 HydrophobicContact CE1-CD2 3.89Å; Y490-F494 HydrophobicContact CE1-CE2 4.37Å; Y490-F494 HydrophobicContact CE1-CG 4.29Å; Y490-F494 HydrophobicContact CE2-CD2 4.22Å; Y490-F494 AromaticContact CZ-CD2 3.59Å; Y490-F494 AromaticContact CZ-CE2 3.92Å; Y490-F494 WeakPolarHBondContact O-CB 3.37Å; Y490-F494 PolarHBondContact O-N 3.33Å; Y490-F494 VanDerWaalsContact O-N 3.08Å; Y490-F494 WeakPolarHBondContact OH-CD2 3.27Å; Y490-F494 VanDerWaalsContact OH-CE2 3.25Å; Y490-F494 WeakPolarHBondContact OH-CE2 3.33Å
491	I	66.1	Low	62.8	Low	45 Å²	45	114.9 Å²	114.9	23%	0.231	61%	0.608	C	S	.	*	H	α-helix	trans	-56.9	-36.4	-178.9	-122.3	59.4	0	0	0	112.2	Y487 E488 S493 F494 Q501	Y487-I491 HydrophobicContact CE1-CD1 3.98Å; Y487-I491 HydrophobicContact CE1-CG1 4.25Å; Y487-I491 HydrophobicContact CE2-CD1 3.83Å; Y487-I491 WeakPolarHBondContact O-CB 3.32Å; Y487-I491 PolarHBondContact O-N 3.33Å; Y487-I491 WeakPolarHBondContact OH-CD1 3.25Å; E488-I491 PolarHBondContact O-N 3.15Å; I491-S493 PolarHBondContact O-N 2.72Å; I491-F494 PolarHBondContact O-N 3.03Å; I491-Q501 PolarHBondContact O-NE2 3.44Å
492	K	64.1	Low	63	Low	188 Å²	188	113.6 Å²	113.6	82%	0.817	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-13.9	177.6	-166.4	170	-174.6	172.6	0	114.2	E488 Y490	E488-K492 VanDerWaalsContact O-CB 3.28Å; E488-K492 WeakPolarHBondContact O-CB 3.39Å; E488-K492 PolarHBondContact O-N 3.29Å; Y490-K492 PolarHBondContact O-N 2.95Å
493	S	59.4	Low	63.3	Low	74 Å²	74	119.8 Å²	119.8	52%	0.517	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105	-8.1	172.3	68.1	0	0	0	0	113.5	Y490 I491 G495	Y490-S493 CarbonylContact O-C 3.58Å; Y490-S493 WeakPolarHBondContact O-CA 3.31Å; Y490-S493 PolarHBondContact O-N 2.86Å; Y490-S493 PolarHBondContact O-OG 2.93Å; I491-S493 PolarHBondContact O-N 2.72Å; S493-G495 PolarHBondContact O-N 3Å
494	F	56.4	Low	63.6	Low	98 Å²	98	119.2 Å²	119.2	43%	0.43	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.3	89.9	-173.8	-164.8	-90.1	0	0	0	111.5	Y490 I491 Q501	Y490-F494 AromaticContact CE1-CD2 3.89Å; Y490-F494 HydrophobicContact CE1-CD2 3.89Å; Y490-F494 HydrophobicContact CE1-CE2 4.37Å; Y490-F494 HydrophobicContact CE1-CG 4.29Å; Y490-F494 HydrophobicContact CE2-CD2 4.22Å; Y490-F494 AromaticContact CZ-CD2 3.59Å; Y490-F494 AromaticContact CZ-CE2 3.92Å; Y490-F494 WeakPolarHBondContact O-CB 3.37Å; Y490-F494 PolarHBondContact O-N 3.33Å; Y490-F494 VanDerWaalsContact O-N 3.08Å; Y490-F494 WeakPolarHBondContact OH-CD2 3.27Å; Y490-F494 VanDerWaalsContact OH-CE2 3.25Å; Y490-F494 WeakPolarHBondContact OH-CE2 3.33Å; I491-F494 PolarHBondContact O-N 3.03Å; F494-Q501 PolarHBondContact O-NE2 2.95Å
495	G	61.1	Low	63.6	Low	32 Å²	32	122.1 Å²	122.1	33%	0.33	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	163.2	-10.7	179.9	0	0	0	0	0	116.1	S493 A497	S493-G495 PolarHBondContact O-N 3Å; G495-A497 PolarHBondContact O-N 2.94Å
496	N	61.1	Low	63.2	Low	157 Å²	157	123.3 Å²	123.3	84%	0.84	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	6.6	-172.4	-70.9	-29.2	0	0	0	116.2
497	A	57.4	Low	63.1	Low	81 Å²	81	120 Å²	120	67%	0.669	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.5	118.2	159.4	0	0	0	0	0	110.7	G495 T499	G495-A497 PolarHBondContact O-N 2.94Å; A497-T499 VanDerWaalsContact C-N 3.31Å; A497-T499 PolarHBondContact O-N 3.08Å; A497-T499 VanDerWaalsContact O-N 3.11Å
498	N	59.9	Low	62.7	Low	173 Å²	173	120 Å²	120	93%	0.925	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	54	26.2	166.3	-66.2	4.6	0	0	0	118.4
499	T	66.7	Low	62.8	Low	80 Å²	80	123 Å²	123	49%	0.491	65%	0.647	S	S	.	*			trans	-131	134.7	163.2	52.9	0	0	0	0	111.2	A497	A497-T499 VanDerWaalsContact C-N 3.31Å; A497-T499 PolarHBondContact O-N 3.08Å; A497-T499 VanDerWaalsContact O-N 3.11Å
500	Q	64.8	Low	62.8	Low	190 Å²	190	122.2 Å²	122.2	89%	0.888	65%	0.646	S	S	*	*			trans	-116.6	129.6	176.2	-176.5	174.9	3.1	0	0	108.8
501	Q	63.8	Low	63.2	Low	102 Å²	102	120 Å²	120	48%	0.477	65%	0.653	S	S	.	*			trans	-84.5	133.9	171.9	-62.3	171.9	27	0	0	108.8	I491 F494	I491-Q501 PolarHBondContact O-NE2 3.44Å; F494-Q501 PolarHBondContact O-NE2 2.95Å
502	A	66.6	Low	63.6	Low	90 Å²	90	124.1 Å²	124.1	74%	0.744	68%	0.676	S	S	*	*			trans	-125.5	130.2	173.3	0	0	0	0	0	108.7
503	Y	64.3	Low	64.2	Low	233 Å²	233	125.9 Å²	125.9	91%	0.914	68%	0.677	S	S	*	*			trans	-106	135.5	167.6	-114.7	-92.6	0	0	0	108
504	V	69.2	Low	65	Low	119 Å²	119	133 Å²	133	72%	0.721	69%	0.694	S	S	*	*			trans	-113.8	116.7	173.5	176.1	0	0	0	0	107.7
505	Q	62.8	Low	66	Low	160 Å²	160	134.5 Å²	134.5	75%	0.748	71%	0.711	S	S	*	*			trans	-106.2	100.1	166.4	178.3	178.4	-23.5	0	0	106.9	N507	Q505-N507 HydrophobicContact CG-CB 4.36Å; Q505-N507 PolarHBondContact NE2-OD1 3.34Å; Q505-N507 PolarHBondContact O-N 2.88Å
506	C	61.2	Low	66.8	Low	84 Å²	84	141.8 Å²	141.8	57%	0.568	74%	0.737	S	S	*	*			trans	-68.2	81.9	169.4	-76.6	0	0	0	0	109.2	E508	C506-E508 HydrophobicContact CB-CG 4.14Å; C506-E508 WeakPolarHBondContact CB-OE2 3.35Å; C506-E508 PolarHBondContact O-N 2.92Å; C506-E508 PolarHBondContact SG-OE2 3.4Å
507	N	59.5	Low	67.9	Low	102 Å²	102	140.1 Å²	140.1	55%	0.545	73%	0.732	S	S	.	*			trans	-81.5	40.2	177.4	-154.5	89.7	0	0	0	111.1	Q505	Q505-N507 HydrophobicContact CG-CB 4.36Å; Q505-N507 PolarHBondContact NE2-OD1 3.34Å; Q505-N507 PolarHBondContact O-N 2.88Å
508	E	60	Low	69.2	Low	153 Å²	153	144.9 Å²	144.9	72%	0.715	74%	0.741	S	S	*	*			trans	-87.6	-25.6	-160.1	-65.7	176.6	131	0	0	112.6	C506	C506-E508 HydrophobicContact CB-CG 4.14Å; C506-E508 WeakPolarHBondContact CB-OE2 3.35Å; C506-E508 PolarHBondContact O-N 2.92Å; C506-E508 PolarHBondContact SG-OE2 3.4Å
509	D	65.2	Low	70.2	Confident	160 Å²	160	146 Å²	146	86%	0.856	74%	0.74	S	S	*	*	S	Bend	trans	-97.8	-4.2	-176	-65.1	-37.2	0	0	0	115.2	A511	D509-A511 VanDerWaalsContact C-N 3.3Å; D509-A511 PolarHBondContact O-N 2.99Å
510	N	65.9	Low	71.1	Confident	122 Å²	122	148.1 Å²	148.1	65%	0.652	75%	0.753	S	S	*	*			trans	-84.5	67.6	-174.8	-164.2	92.9	0	0	0	112.5
511	A	72.7	Confident	71.8	Confident	76 Å²	76	148.1 Å²	148.1	63%	0.628	75%	0.753	S	S	*	*			trans	-107	94.2	-174.6	0	0	0	0	0	113.2	D509 R513	D509-A511 VanDerWaalsContact C-N 3.3Å; D509-A511 PolarHBondContact O-N 2.99Å; A511-R513 PolarHBondContact O-N 2.7Å
512	D	74.6	Confident	72.7	Confident	133 Å²	133	150.5 Å²	150.5	71%	0.711	77%	0.767	S	S	*	*			trans	-65.1	121.7	170.6	-71.8	-49.5	0	0	0	111.3
513	R	76.5	Confident	72.9	Confident	224 Å²	224	150.5 Å²	150.5	85%	0.845	76%	0.761	S	S	*	*			trans	-118.1	107	174.4	-73.1	-172.3	173.7	-167.8	-0.6	110.9	A511 V515	A511-R513 PolarHBondContact O-N 2.7Å; R513-V515 PolarHBondContact O-N 2.86Å
514	Y	75	Confident	73.5	Confident	224 Å²	224	147.7 Å²	147.7	88%	0.878	76%	0.756	S	S	*	*			trans	-72.6	120.6	166	-63	-80.3	0	0	0	109.4
515	V	78.7	Confident	73.9	Confident	130 Å²	130	148.2 Å²	148.2	79%	0.788	75%	0.748	S	S	*	*			trans	-116.9	129.6	176.5	-177.1	0	0	0	0	108.4	R513	R513-V515 PolarHBondContact O-N 2.86Å
516	Q	77.1	Confident	74.7	Confident	185 Å²	185	147.3 Å²	147.3	86%	0.864	74%	0.738	S	S	*	*			trans	-121.4	127.9	171.5	176.2	176.9	-17.2	0	0	107.5
517	T	83.7	Confident	75.5	Confident	121 Å²	121	149.1 Å²	149.1	74%	0.742	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-78.7	152.8	172	52.6	0	0	0	0	110.7
518	E	85.3	Confident	76.3	Confident	182 Å²	182	148 Å²	148	85%	0.85	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-66.7	160.3	169.9	-59.7	-179.2	158.9	0	0	110.7
519	E	81.6	Confident	76.9	Confident	195 Å²	195	149.2 Å²	149.2	91%	0.911	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-73.1	137.2	172.5	-75.7	-170.4	127.3	0	0	110.1	E521	E519-E521 PolarHBondContact O-N 2.82Å
520	V	84.8	Confident	77.2	Confident	126 Å²	126	146 Å²	146	76%	0.764	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-75.1	118.5	-179.1	-179.9	0	0	0	0	109.7	I522	V520-I522 PolarHBondContact O-N 2.89Å
521	E	79.1	Confident	77.6	Confident	189 Å²	189	143.2 Å²	143.2	88%	0.883	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-66.1	116.5	171.4	-64	-166	159.8	0	0	110.7	E519	E519-E521 PolarHBondContact O-N 2.82Å
522	I	82.5	Confident	77.2	Confident	152 Å²	152	147 Å²	147	78%	0.779	73%	0.725	S	S	*	*			trans	-105.1	118.8	176.9	-58.7	175.5	0	0	0	108.7	V520	V520-I522 PolarHBondContact O-N 2.89Å
523	C	71.9	Confident	76.6	Confident	90 Å²	90	150.6 Å²	150.6	61%	0.608	73%	0.73	S	S	*	*			trans	-111.5	120.9	172.2	58.4	0	0	0	0	111.2	K525	C523-K525 WeakPolarHBondContact SG-CE 3.17Å
524	E	75.9	Confident	75.9	Confident	175 Å²	175	148.3 Å²	148.3	82%	0.818	73%	0.734	S	S	*	*			trans	-78.6	121.5	170.7	-66.1	-169.9	159.2	0	0	109.8
525	K	77.7	Confident	75.2	Confident	129 Å²	129	139.4 Å²	139.4	56%	0.561	71%	0.711	S	S	*	*			trans	-129.1	130.7	175.4	-56.1	-167.2	-169.6	-150.5	0	109.2	C523 D539	C523-K525 WeakPolarHBondContact SG-CE 3.17Å; K525-D539 WeakPolarHBondContact CE-OD2 3.41Å; K525-D539 IonicContact NZ-OD2 2.72Å; K525-D539 PolarHBondContact NZ-OD2 2.92Å
526	W	79.9	Confident	74.3	Confident	142 Å²	142	135.4 Å²	135.4	54%	0.538	69%	0.692	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.5	152.8	176.5	66.5	-95.6	0	0	0	110.9	Q528 G535 C537 G538	W526-Q528 HydrophobicContact CZ3-CB 4.16Å; W526-G535 WeakPolarHBondContact CH2-O 3.36Å; W526-C537 CarbonylContact O-C 3.57Å; W526-C537 WeakPolarHBondContact O-CA 3.43Å; W526-C537 WeakPolarHBondContact O-CB 3.43Å; W526-G538 PolarHBondContact N-O 2.87Å; W526-G538 PolarHBondContact O-N 3.42Å
527	T	77.9	Confident	73.6	Confident	121 Å²	121	130.6 Å²	130.6	74%	0.742	68%	0.677	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-137.6	153.8	174.2	63.2	0	0	0	0	110.2	A536 C537	T527-A536 CarbonylContact C-O 3.58Å; T527-A536 VanDerWaalsContact CA-O 3.3Å; T527-A536 WeakPolarHBondContact CA-O 3.42Å; T527-C537 HydrophobicContact CG2-CB 3.91Å
528	Q	77	Confident	72.7	Confident	79 Å²	79	125.6 Å²	125.6	37%	0.369	65%	0.65	S	S	.	*			trans	-135	132.2	179.1	-170.6	-175.7	9.1	0	0	110.8	W526 A536	W526-Q528 HydrophobicContact CZ3-CB 4.16Å; Q528-A536 PolarHBondContact N-O 2.95Å
529	H	71.6	Confident	71.6	Confident	178 Å²	178	118.8 Å²	118.8	82%	0.824	62%	0.619	S	S	*	*	S	Bend	trans	-137	128.9	170.6	-171.9	86.6	0	0	0	111.3
530	P	70.9	Confident	70.5	Confident	94 Å²	94	114.6 Å²	114.6	61%	0.61	61%	0.609	S	S	*	*	S	Bend	cis	-66.9	148	-8.7	30.8	-35.7	0	0	0	111.4
531	P	74.8	Confident	69.2	Low	63 Å²	63	115.3 Å²	115.3	41%	0.409	61%	0.609	S	S	.	*			trans	-74	134.6	175.5	30.7	-34.3	0	0	0	110.7	A536	P531-A536 HydrophobicContact CB-CB 3.68Å; P531-A536 HydrophobicContact CG-CB 4.19Å
532	E	64.9	Low	68.1	Low	154 Å²	154	114 Å²	114	72%	0.72	60%	0.6	S	S	*	*	S	Bend	trans	-85.6	-28.2	-179.8	-66.9	-175.2	160.9	0	0	113
533	Y	61.4	Low	67	Low	210 Å²	210	109.5 Å²	109.5	82%	0.824	58%	0.582	S	S	*	*	S	Bend	trans	-144.4	-177.1	175.9	-90.2	-83	0	0	0	111.2	G535	Y533-G535 PolarHBondContact O-N 2.79Å
534	N	61.1	Low	66.3	Low	175 Å²	175	111.7 Å²	111.7	94%	0.936	58%	0.583	S	S	*	*	S	Bend	trans	-68.8	23.6	-167.6	-132.2	33.4	0	0	0	116.3
535	G	61	Low	65.3	Low	37 Å²	37	109.5 Å²	109.5	38%	0.381	58%	0.577	S	S	.	*			trans	-136.7	87.7	172	0	0	0	0	0	109.6	W526 Y533 C537	W526-G535 WeakPolarHBondContact CH2-O 3.36Å; Y533-G535 PolarHBondContact O-N 2.79Å; G535-C537 PolarHBondContact O-N 3.41Å
536	A	59.6	Low	64.2	Low	47 Å²	47	105.6 Å²	105.6	39%	0.388	57%	0.569	S	S	.	*	S	Bend	trans	-75.2	-8.3	176.2	0	0	0	0	0	113.2	T527 Q528 P531	T527-A536 CarbonylContact C-O 3.58Å; T527-A536 VanDerWaalsContact CA-O 3.3Å; T527-A536 WeakPolarHBondContact CA-O 3.42Å; Q528-A536 PolarHBondContact N-O 2.95Å; P531-A536 HydrophobicContact CB-CB 3.68Å; P531-A536 HydrophobicContact CG-CB 4.19Å
537	C	62.1	Low	63.1	Low	84 Å²	84	104.1 Å²	104.1	57%	0.568	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-146.4	160.9	174.3	60.6	0	0	0	0	109.9	W526 T527 G535	W526-C537 CarbonylContact O-C 3.57Å; W526-C537 WeakPolarHBondContact O-CA 3.43Å; W526-C537 WeakPolarHBondContact O-CB 3.43Å; T527-C537 HydrophobicContact CG2-CB 3.91Å; G535-C537 PolarHBondContact O-N 3.41Å
538	G	65	Low	62	Low	16 Å²	16	102.6 Å²	102.6	17%	0.165	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.7	132.6	172.4	0	0	0	0	0	112.2	W526	W526-G538 PolarHBondContact N-O 2.87Å; W526-G538 PolarHBondContact O-N 3.42Å
539	D	61.9	Low	61	Low	39 Å²	39	105.8 Å²	105.8	21%	0.209	57%	0.568	C	S	.	*			trans	-122.4	130.7	169.7	178.8	-47.2	0	0	0	106.3	K525 N541 F542	K525-D539 WeakPolarHBondContact CE-OD2 3.41Å; K525-D539 IonicContact NZ-OD2 2.72Å; K525-D539 PolarHBondContact NZ-OD2 2.92Å; D539-N541 PolarHBondContact O-N 2.8Å; D539-N541 PolarHBondContact OD1-N 2.84Å; D539-F542 HydrophobicContact CB-CB 4.24Å; D539-F542 HydrophobicContact CB-CD2 4.43Å; D539-F542 WeakPolarHBondContact O-CB 3.5Å; D539-F542 PolarHBondContact O-N 2.89Å
540	P	59.2	Low	60.2	Low	106 Å²	106	100.2 Å²	100.2	69%	0.688	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-26.9	-175.9	-28.3	36	0	0	0	114.9
541	N	57.4	Low	59.4	Low	142 Å²	142	104 Å²	104	76%	0.759	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-9.6	-177.8	-60.4	-52.8	0	0	0	113.3	D539 S543	D539-N541 PolarHBondContact O-N 2.8Å; D539-N541 PolarHBondContact OD1-N 2.84Å; N541-S543 VanDerWaalsContact C-N 3.28Å; N541-S543 PolarHBondContact O-N 2.77Å
542	F	56.5	Low	58.4	Low	161 Å²	161	105 Å²	105	71%	0.706	56%	0.557	S	S	*	*			trans	-86.1	52.2	-173.7	-123	-85.9	0	0	0	113.2	D539 A546	D539-F542 HydrophobicContact CB-CB 4.24Å; D539-F542 HydrophobicContact CB-CD2 4.43Å; D539-F542 WeakPolarHBondContact O-CB 3.5Å; D539-F542 PolarHBondContact O-N 2.89Å; F542-A546 HydrophobicContact CD1-CB 4.48Å
543	S	59.4	Low	57.9	Low	58 Å²	58	103.6 Å²	103.6	41%	0.406	55%	0.554	S	S	.	*			trans	-120.5	-13.9	-165.4	56.9	0	0	0	0	117.5	N541 Q547	N541-S543 VanDerWaalsContact C-N 3.28Å; N541-S543 PolarHBondContact O-N 2.77Å; S543-Q547 VanDerWaalsContact O-CD 3.3Å; S543-Q547 VanDerWaalsContact O-CG 3.29Å; S543-Q547 WeakPolarHBondContact O-CG 3.05Å; S543-Q547 PolarHBondContact O-NE2 3.01Å
544	Q	56.3	Low	57.7	Low	135 Å²	135	99.4 Å²	99.4	63%	0.631	55%	0.546	S	S	*	.	S	Bend	trans	-95.2	-73.5	178.4	-131.6	73.5	73	0	0	112.4	A546 Q547 D548	Q544-A546 VanDerWaalsContact C-N 3.26Å; Q544-A546 PolarHBondContact O-N 3.45Å; Q544-A546 VanDerWaalsContact O-N 3.11Å; Q544-Q547 WeakPolarHBondContact O-CB 3.32Å; Q544-Q547 PolarHBondContact O-N 2.86Å; Q544-D548 PolarHBondContact O-N 3.4Å
545	D	54.6	Low	57.5	Low	129 Å²	129	98.4 Å²	98.4	69%	0.69	54%	0.539	S	S	*	.	H	α-helix	trans	-58.8	-30.8	-172	-68.8	2.6	0	0	0	114.7	K549	D545-K549 WeakPolarHBondContact O-CB 3.43Å; D545-K549 WeakPolarHBondContact O-CG 3.31Å; D545-K549 PolarHBondContact O-N 3.15Å; D545-K549 VanDerWaalsContact O-N 3.08Å
546	A	56	Low	57.5	Low	47 Å²	47	101 Å²	101	39%	0.388	54%	0.544	S	S	.	.	H	α-helix	trans	-71.9	-34	176	0	0	0	0	0	112.3	F542 Q544 S550	F542-A546 HydrophobicContact CD1-CB 4.48Å; Q544-A546 VanDerWaalsContact C-N 3.26Å; Q544-A546 PolarHBondContact O-N 3.45Å; Q544-A546 VanDerWaalsContact O-N 3.11Å; A546-S550 PolarHBondContact O-N 3.3Å
547	Q	55.4	Low	57.9	Low	111 Å²	111	102.4 Å²	102.4	52%	0.519	55%	0.545	S	S	.	.	H	α-helix	trans	-69.4	-45.4	175.1	-72.4	-169.9	20.8	0	0	110.8	S543 Q544 K549 S550 R551	S543-Q547 VanDerWaalsContact O-CD 3.3Å; S543-Q547 VanDerWaalsContact O-CG 3.29Å; S543-Q547 WeakPolarHBondContact O-CG 3.05Å; S543-Q547 PolarHBondContact O-NE2 3.01Å; Q544-Q547 WeakPolarHBondContact O-CB 3.32Å; Q544-Q547 PolarHBondContact O-N 2.86Å; Q547-K549 PolarHBondContact O-N 2.93Å; Q547-S550 CarbonylContact O-C 3.52Å; Q547-S550 PolarHBondContact O-N 2.91Å; Q547-S550 VanDerWaalsContact O-N 3.13Å; Q547-S550 PolarHBondContact O-OG 2.61Å; Q547-R551 WeakPolarHBondContact O-CG 3.24Å; Q547-R551 PolarHBondContact O-N 3.26Å
548	D	55.2	Low	58.6	Low	90 Å²	90	101.7 Å²	101.7	48%	0.481	54%	0.541	S	S	.	.	H	α-helix	trans	-68.5	-35.1	180	-78.5	-30.1	0	0	0	112.4	Q544 S550 R551 T552	Q544-D548 PolarHBondContact O-N 3.4Å; D548-S550 PolarHBondContact O-N 2.76Å; D548-R551 CarbonylContact O-C 3.54Å; D548-R551 PolarHBondContact O-N 3.06Å; D548-R551 VanDerWaalsContact O-N 3.13Å; D548-T552 PolarHBondContact O-N 3.29Å; D548-T552 PolarHBondContact O-OG1 2.67Å
549	K	56	Low	59.2	Low	145 Å²	145	107.7 Å²	107.7	63%	0.63	57%	0.565	S	S	*	*	H	α-helix	trans	-58.1	-46.6	166.6	-79.8	177	178.8	171.1	0	112.3	D545 Q547 R551 T552 D553	D545-K549 WeakPolarHBondContact O-CB 3.43Å; D545-K549 WeakPolarHBondContact O-CG 3.31Å; D545-K549 PolarHBondContact O-N 3.15Å; D545-K549 VanDerWaalsContact O-N 3.08Å; Q547-K549 PolarHBondContact O-N 2.93Å; K549-R551 PolarHBondContact O-N 3.2Å; K549-T552 WeakPolarHBondContact CA-OG1 3.45Å; K549-T552 PolarHBondContact O-N 2.88Å; K549-T552 VanDerWaalsContact O-N 3.16Å; K549-T552 PolarHBondContact O-OG1 3.29Å; K549-D553 PolarHBondContact O-N 2.79Å
550	S	54.6	Low	60.1	Low	62 Å²	62	109.6 Å²	109.6	43%	0.434	58%	0.58	S	S	.	*	H	α-helix	trans	-62.9	-29.4	176.2	81.1	0	0	0	0	112.8	A546 Q547 D548 L554	A546-S550 PolarHBondContact O-N 3.3Å; Q547-S550 CarbonylContact O-C 3.52Å; Q547-S550 PolarHBondContact O-N 2.91Å; Q547-S550 VanDerWaalsContact O-N 3.13Å; Q547-S550 PolarHBondContact O-OG 2.61Å; D548-S550 PolarHBondContact O-N 2.76Å; S550-L554 WeakPolarHBondContact O-CG 3.48Å; S550-L554 PolarHBondContact O-N 3.07Å
551	R	53.8	Low	61.4	Low	172 Å²	172	108.5 Å²	108.5	65%	0.649	57%	0.568	S	S	*	*	H	α-helix	trans	-79.2	-26	176.1	-69.6	175.4	66.4	152.1	-0.5	113.4	Q547 D548 K549	Q547-R551 WeakPolarHBondContact O-CG 3.24Å; Q547-R551 PolarHBondContact O-N 3.26Å; D548-R551 CarbonylContact O-C 3.54Å; D548-R551 PolarHBondContact O-N 3.06Å; D548-R551 VanDerWaalsContact O-N 3.13Å; K549-R551 PolarHBondContact O-N 3.2Å
552	T	54.7	Low	62.6	Low	86 Å²	86	105.6 Å²	105.6	53%	0.528	55%	0.551	S	S	.	*	H	α-helix	trans	-78.9	-32	168.2	51	0	0	0	0	112.3	D548 K549 L554 L555	D548-T552 PolarHBondContact O-N 3.29Å; D548-T552 PolarHBondContact O-OG1 2.67Å; K549-T552 WeakPolarHBondContact CA-OG1 3.45Å; K549-T552 PolarHBondContact O-N 2.88Å; K549-T552 VanDerWaalsContact O-N 3.16Å; K549-T552 PolarHBondContact O-OG1 3.29Å; T552-L554 PolarHBondContact O-N 3.37Å; T552-L555 VanDerWaalsContact O-CB 3.32Å; T552-L555 WeakPolarHBondContact O-CB 3.41Å; T552-L555 VanDerWaalsContact O-CG 3.27Å; T552-L555 WeakPolarHBondContact O-CG 3.36Å; T552-L555 PolarHBondContact O-N 2.9Å
553	D	55	Low	63.9	Low	124 Å²	124	100.7 Å²	100.7	66%	0.663	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-11.5	170.7	-69.3	-21.3	0	0	0	112.5	K549 L555	K549-D553 PolarHBondContact O-N 2.79Å; D553-L555 PolarHBondContact O-N 3.18Å; D553-L555 VanDerWaalsContact O-N 3.17Å
554	L	56.6	Low	65.3	Low	122 Å²	122	104.6 Å²	104.6	64%	0.639	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	12.8	160.9	-69.2	175.9	0	0	0	113.7	S550 T552 L556	S550-L554 WeakPolarHBondContact O-CG 3.48Å; S550-L554 PolarHBondContact O-N 3.07Å; T552-L554 PolarHBondContact O-N 3.37Å; L554-L556 HydrophobicContact CB-CD1 4.28Å; L554-L556 HydrophobicContact CD2-CD1 3.44Å; L554-L556 VanDerWaalsContact CD2-CD1 3.44Å; L554-L556 HydrophobicContact CG-CD1 4.45Å; L554-L556 PolarHBondContact O-N 2.98Å
555	L	57.7	Low	66.9	Low	153 Å²	153	101.8 Å²	101.8	80%	0.801	54%	0.538	S	S	*	.			trans	-62.2	60.2	143	-73.5	167.8	0	0	0	110.5	T552 D553 D557	T552-L555 VanDerWaalsContact O-CB 3.32Å; T552-L555 WeakPolarHBondContact O-CB 3.41Å; T552-L555 VanDerWaalsContact O-CG 3.27Å; T552-L555 WeakPolarHBondContact O-CG 3.36Å; T552-L555 PolarHBondContact O-N 2.9Å; D553-L555 PolarHBondContact O-N 3.18Å; D553-L555 VanDerWaalsContact O-N 3.17Å; L555-D557 PolarHBondContact O-N 3.44Å; L555-D557 VanDerWaalsContact O-N 3.09Å
556	L	61.2	Low	68.3	Low	91 Å²	91	103.3 Å²	103.3	48%	0.476	53%	0.534	S	S	.	.			trans	-52.7	120.3	162.9	-90.1	68.7	0	0	0	106.7	L554 S558 L561	L554-L556 HydrophobicContact CB-CD1 4.28Å; L554-L556 HydrophobicContact CD2-CD1 3.44Å; L554-L556 VanDerWaalsContact CD2-CD1 3.44Å; L554-L556 HydrophobicContact CG-CD1 4.45Å; L554-L556 PolarHBondContact O-N 2.98Å; L556-S558 VanDerWaalsContact C-N 3.33Å; L556-S558 PolarHBondContact O-N 3.4Å; L556-L561 HydrophobicContact CD2-CD1 4.16Å; L556-L561 HydrophobicContact CD2-CD2 3.91Å; L556-L561 HydrophobicContact CD2-CG 4.41Å
557	D	67.5	Low	69.7	Low	77 Å²	77	104.4 Å²	104.4	41%	0.412	54%	0.54	S	S	.	.			trans	-57.6	105.8	166.4	168.8	27.9	0	0	0	107.5	L555 Q559 C560 L561	L555-D557 PolarHBondContact O-N 3.44Å; L555-D557 VanDerWaalsContact O-N 3.09Å; D557-Q559 PolarHBondContact O-N 2.88Å; D557-Q559 VanDerWaalsContact OD1-CB 3.3Å; D557-Q559 WeakPolarHBondContact OD1-CB 3.29Å; D557-Q559 WeakPolarHBondContact OD1-CG 3.27Å; D557-Q559 PolarHBondContact OD1-N 3.39Å; D557-C560 HydrophobicContact CB-CB 4.1Å; D557-C560 PolarHBondContact O-N 2.99Å; D557-C560 WeakPolarHBondContact OD2-CB 3.22Å; D557-C560 PolarHBondContact OD2-N 3.23Å; D557-C560 PolarHBondContact OD2-SG 2.84Å; D557-L561 PolarHBondContact O-N 3.29Å
558	S	76.6	Confident	71.4	Confident	70 Å²	70	100.1 Å²	100.1	49%	0.49	52%	0.523	S	S	.	.	H	α-helix	trans	-56.9	-24.7	-179.9	65.5	0	0	0	0	111.7	L556 M562	L556-S558 VanDerWaalsContact C-N 3.33Å; L556-S558 PolarHBondContact O-N 3.4Å; S558-M562 WeakPolarHBondContact O-CB 3.32Å; S558-M562 WeakPolarHBondContact O-CE 3.42Å; S558-M562 WeakPolarHBondContact O-CG 3.45Å; S558-M562 PolarHBondContact O-N 3.1Å
559	Q	78	Confident	72.9	Confident	142 Å²	142	98.4 Å²	98.4	66%	0.664	52%	0.518	S	S	*	.	H	α-helix	trans	-74.7	-46	176.4	-49.2	-171.6	28.8	0	0	111.3	D557 M562 S563	D557-Q559 PolarHBondContact O-N 2.88Å; D557-Q559 VanDerWaalsContact OD1-CB 3.3Å; D557-Q559 WeakPolarHBondContact OD1-CB 3.29Å; D557-Q559 WeakPolarHBondContact OD1-CG 3.27Å; D557-Q559 PolarHBondContact OD1-N 3.39Å; Q559-M562 PolarHBondContact O-N 2.97Å; Q559-S563 WeakPolarHBondContact O-CB 3.11Å; Q559-S563 PolarHBondContact O-N 2.92Å; Q559-S563 PolarHBondContact O-OG 3.32Å
560	C	80.7	Confident	74.2	Confident	79 Å²	79	97.4 Å²	97.4	53%	0.534	52%	0.516	S	S	.	.	H	α-helix	trans	-63.7	-40.3	169.9	-75.9	0	0	0	0	113.3	D557 S563 F564	D557-C560 HydrophobicContact CB-CB 4.1Å; D557-C560 PolarHBondContact O-N 2.99Å; D557-C560 WeakPolarHBondContact OD2-CB 3.22Å; D557-C560 PolarHBondContact OD2-N 3.23Å; D557-C560 PolarHBondContact OD2-SG 2.84Å; C560-S563 WeakPolarHBondContact CA-OG 3.33Å; C560-S563 PolarHBondContact O-N 3.21Å; C560-S563 PolarHBondContact O-OG 2.79Å; C560-S563 VanDerWaalsContact O-OG 3.04Å; C560-F564 WeakPolarHBondContact O-CB 3.45Å; C560-F564 PolarHBondContact O-N 3.28Å
561	L	85.8	Confident	75.8	Confident	83 Å²	83	98.6 Å²	98.6	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-64.6	-45.7	173.8	-178	66.9	0	0	0	110.8	L556 D557 S563 F564 V565	L556-L561 HydrophobicContact CD2-CD1 4.16Å; L556-L561 HydrophobicContact CD2-CD2 3.91Å; L556-L561 HydrophobicContact CD2-CG 4.41Å; D557-L561 PolarHBondContact O-N 3.29Å; L561-S563 VanDerWaalsContact C-N 3.34Å; L561-S563 PolarHBondContact O-N 3.27Å; L561-F564 PolarHBondContact O-N 3.13Å; L561-V565 HydrophobicContact CD1-CG2 4.03Å; L561-V565 HydrophobicContact CG-CG2 4.27Å; L561-V565 WeakPolarHBondContact O-CB 3.41Å; L561-V565 VanDerWaalsContact O-CG2 3.25Å; L561-V565 WeakPolarHBondContact O-CG2 3.28Å; L561-V565 PolarHBondContact O-N 3.44Å
562	M	82.1	Confident	77.4	Confident	81 Å²	81	95.9 Å²	95.9	40%	0.399	52%	0.516	S	S	.	.	H	α-helix	trans	-64	-36.4	176.3	-80.1	-174.1	-78.4	0	0	112.5	S558 Q559 R566	S558-M562 WeakPolarHBondContact O-CB 3.32Å; S558-M562 WeakPolarHBondContact O-CE 3.42Å; S558-M562 WeakPolarHBondContact O-CG 3.45Å; S558-M562 PolarHBondContact O-N 3.1Å; Q559-M562 PolarHBondContact O-N 2.97Å; M562-R566 VanDerWaalsContact O-CB 3.23Å; M562-R566 WeakPolarHBondContact O-CB 3.45Å; M562-R566 WeakPolarHBondContact O-CD 3.2Å; M562-R566 WeakPolarHBondContact O-CG 3.31Å; M562-R566 PolarHBondContact O-N 2.84Å; M562-R566 PolarHBondContact SD-NH2 2.67Å
563	S	84.1	Confident	78.8	Confident	58 Å²	58	94.4 Å²	94.4	41%	0.406	51%	0.507	S	S	.	.	H	α-helix	trans	-71.7	-41	178.1	73.5	0	0	0	0	111.5	Q559 C560 L561 S567	Q559-S563 WeakPolarHBondContact O-CB 3.11Å; Q559-S563 PolarHBondContact O-N 2.92Å; Q559-S563 PolarHBondContact O-OG 3.32Å; C560-S563 WeakPolarHBondContact CA-OG 3.33Å; C560-S563 PolarHBondContact O-N 3.21Å; C560-S563 PolarHBondContact O-OG 2.79Å; C560-S563 VanDerWaalsContact O-OG 3.04Å; L561-S563 VanDerWaalsContact C-N 3.34Å; L561-S563 PolarHBondContact O-N 3.27Å; S563-S567 WeakPolarHBondContact O-CB 3.3Å; S563-S567 PolarHBondContact O-N 2.81Å; S563-S567 PolarHBondContact O-OG 3.46Å
564	F	89.1	Confident	80.1	Confident	140 Å²	140	90 Å²	90	61%	0.614	49%	0.485	S	S	*	.	H	α-helix	trans	-60.5	-52.8	171	175.9	-102.5	0	0	0	111.2	C560 L561 R566 S567 A568	C560-F564 WeakPolarHBondContact O-CB 3.45Å; C560-F564 PolarHBondContact O-N 3.28Å; L561-F564 PolarHBondContact O-N 3.13Å; F564-R566 VanDerWaalsContact C-N 3.35Å; F564-R566 PolarHBondContact O-N 2.92Å; F564-S567 PolarHBondContact O-N 3.11Å; F564-S567 VanDerWaalsContact O-N 3.14Å; F564-A568 HydrophobicContact CE1-CB 4.39Å; F564-A568 HydrophobicContact CE2-CB 4.46Å; F564-A568 HydrophobicContact CZ-CB 4.25Å; F564-A568 VanDerWaalsContact O-CB 3.26Å; F564-A568 WeakPolarHBondContact O-CB 3.17Å; F564-A568 PolarHBondContact O-N 2.89Å
565	V	90.7	Very high	81.5	Confident	75 Å²	75	88.9 Å²	88.9	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-39.3	-179.1	171.1	0	0	0	0	111.6	L561 S569	L561-V565 HydrophobicContact CD1-CG2 4.03Å; L561-V565 HydrophobicContact CG-CG2 4.27Å; L561-V565 WeakPolarHBondContact O-CB 3.41Å; L561-V565 VanDerWaalsContact O-CG2 3.25Å; L561-V565 WeakPolarHBondContact O-CG2 3.28Å; L561-V565 PolarHBondContact O-N 3.44Å; V565-S569 WeakPolarHBondContact O-CB 3.42Å; V565-S569 PolarHBondContact O-N 3.45Å; V565-S569 PolarHBondContact O-OG 3.37Å
566	R	83.2	Confident	82.9	Confident	161 Å²	161	87.1 Å²	87.1	61%	0.608	47%	0.469	S	S	*	.	H	α-helix	trans	-63.1	-44.1	173.4	-75.5	166.8	-172	152.5	6.1	111.9	M562 F564 S569 Q570	M562-R566 VanDerWaalsContact O-CB 3.23Å; M562-R566 WeakPolarHBondContact O-CB 3.45Å; M562-R566 WeakPolarHBondContact O-CD 3.2Å; M562-R566 WeakPolarHBondContact O-CG 3.31Å; M562-R566 PolarHBondContact O-N 2.84Å; M562-R566 PolarHBondContact SD-NH2 2.67Å; F564-R566 VanDerWaalsContact C-N 3.35Å; F564-R566 PolarHBondContact O-N 2.92Å; R566-S569 PolarHBondContact O-OG 3.18Å; R566-Q570 WeakPolarHBondContact O-CB 3.24Å; R566-Q570 PolarHBondContact O-N 3.06Å
567	S	85.1	Confident	83.9	Confident	71 Å²	71	83.9 Å²	83.9	50%	0.497	45%	0.451	S	S	.	.	H	α-helix	trans	-68.9	-46.5	-179	-53.6	0	0	0	0	111.5	S563 F564 Q570 V571	S563-S567 WeakPolarHBondContact O-CB 3.3Å; S563-S567 PolarHBondContact O-N 2.81Å; S563-S567 PolarHBondContact O-OG 3.46Å; F564-S567 PolarHBondContact O-N 3.11Å; F564-S567 VanDerWaalsContact O-N 3.14Å; S567-Q570 PolarHBondContact O-N 2.91Å; S567-V571 WeakPolarHBondContact O-CG2 3.33Å; S567-V571 PolarHBondContact O-N 3.28Å; S567-V571 VanDerWaalsContact O-N 3.07Å
568	A	91.4	Very high	84.6	Confident	21 Å²	21	83.8 Å²	83.8	17%	0.174	45%	0.449	C	S	.	.	H	α-helix	trans	-67.9	-42	179.6	0	0	0	0	0	111.9	F564 V571 M572	F564-A568 HydrophobicContact CE1-CB 4.39Å; F564-A568 HydrophobicContact CE2-CB 4.46Å; F564-A568 HydrophobicContact CZ-CB 4.25Å; F564-A568 VanDerWaalsContact O-CB 3.26Å; F564-A568 WeakPolarHBondContact O-CB 3.17Å; F564-A568 PolarHBondContact O-N 2.89Å; A568-V571 PolarHBondContact O-N 3.19Å; A568-M572 HydrophobicContact CB-CE 4.13Å; A568-M572 VanDerWaalsContact O-CG 3.27Å; A568-M572 WeakPolarHBondContact O-CG 3.49Å; A568-M572 PolarHBondContact O-N 2.82Å
569	S	87.7	Confident	84.8	Confident	53 Å²	53	82.9 Å²	82.9	37%	0.371	44%	0.438	S	S	.	.	H	α-helix	trans	-67.2	-35.1	174.8	57.7	0	0	0	0	112.5	V565 R566 M572 V573	V565-S569 WeakPolarHBondContact O-CB 3.42Å; V565-S569 PolarHBondContact O-N 3.45Å; V565-S569 PolarHBondContact O-OG 3.37Å; R566-S569 PolarHBondContact O-OG 3.18Å; S569-M572 PolarHBondContact O-N 3.16Å; S569-V573 WeakPolarHBondContact O-CB 3.48Å; S569-V573 VanDerWaalsContact O-CG2 3.25Å; S569-V573 WeakPolarHBondContact O-CG2 3.05Å; S569-V573 PolarHBondContact O-N 2.73Å
570	Q	83.4	Confident	84.9	Confident	125 Å²	125	80.8 Å²	80.8	58%	0.584	43%	0.429	S	S	*	.	H	α-helix	trans	-59.7	-48.5	170.7	-175.9	178.5	-5.9	0	0	111	R566 S567 M572 V573 V574	R566-Q570 WeakPolarHBondContact O-CB 3.24Å; R566-Q570 PolarHBondContact O-N 3.06Å; S567-Q570 PolarHBondContact O-N 2.91Å; Q570-M572 PolarHBondContact O-N 3.05Å; Q570-V573 PolarHBondContact O-N 2.66Å; Q570-V574 VanDerWaalsContact O-CG2 3.31Å; Q570-V574 WeakPolarHBondContact O-CG2 3.34Å; Q570-V574 PolarHBondContact O-N 2.86Å
571	V	86.8	Confident	84.4	Confident	86 Å²	86	77.1 Å²	77.1	52%	0.521	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-42.6	177.4	173.3	0	0	0	0	111.7	S567 A568 V573 V574 L575	S567-V571 WeakPolarHBondContact O-CG2 3.33Å; S567-V571 PolarHBondContact O-N 3.28Å; S567-V571 VanDerWaalsContact O-N 3.07Å; A568-V571 PolarHBondContact O-N 3.19Å; V571-V573 PolarHBondContact O-N 3.24Å; V571-V574 PolarHBondContact O-N 3.12Å; V571-L575 HydrophobicContact CG1-CD1 3.85Å; V571-L575 HydrophobicContact CG1-CG 4.4Å; V571-L575 WeakPolarHBondContact O-CG 3.47Å; V571-L575 PolarHBondContact O-N 3.16Å
572	M	87.3	Confident	83.9	Confident	116 Å²	116	78.2 Å²	78.2	57%	0.571	41%	0.407	S	S	*	.	H	α-helix	trans	-62.2	-41.5	175.7	-69	172.5	-155.8	0	0	112.3	A568 S569 Q570 L575 L576	A568-M572 HydrophobicContact CB-CE 4.13Å; A568-M572 VanDerWaalsContact O-CG 3.27Å; A568-M572 WeakPolarHBondContact O-CG 3.49Å; A568-M572 PolarHBondContact O-N 2.82Å; S569-M572 PolarHBondContact O-N 3.16Å; Q570-M572 PolarHBondContact O-N 3.05Å; M572-L575 PolarHBondContact O-N 2.95Å; M572-L576 WeakPolarHBondContact O-CB 3.5Å; M572-L576 WeakPolarHBondContact O-CD1 3.35Å; M572-L576 WeakPolarHBondContact O-CG 3.18Å; M572-L576 PolarHBondContact O-N 3.06Å
573	V	84.9	Confident	83.4	Confident	55 Å²	55	81.4 Å²	81.4	33%	0.333	42%	0.415	S	S	.	.	H	α-helix	trans	-65.2	-43.6	177.2	167.3	0	0	0	0	110.9	S569 Q570 V571 L576 E577	S569-V573 WeakPolarHBondContact O-CB 3.48Å; S569-V573 VanDerWaalsContact O-CG2 3.25Å; S569-V573 WeakPolarHBondContact O-CG2 3.05Å; S569-V573 PolarHBondContact O-N 2.73Å; Q570-V573 PolarHBondContact O-N 2.66Å; V571-V573 PolarHBondContact O-N 3.24Å; V573-L576 PolarHBondContact O-N 3.3Å; V573-E577 HydrophobicContact CG1-CG 4.48Å; V573-E577 VanDerWaalsContact CG1-OE1 3.26Å; V573-E577 WeakPolarHBondContact CG1-OE1 3.33Å; V573-E577 WeakPolarHBondContact O-CB 3.47Å; V573-E577 WeakPolarHBondContact O-CG 3.25Å; V573-E577 PolarHBondContact O-N 3.29Å
574	V	82.9	Confident	82.6	Confident	32 Å²	32	82.6 Å²	82.6	19%	0.194	41%	0.412	C	S	.	.	H	α-helix	trans	-57.9	-52	174.5	173.3	0	0	0	0	110.6	Q570 V571 L576 E577 E578 E658	Q570-V574 VanDerWaalsContact O-CG2 3.31Å; Q570-V574 WeakPolarHBondContact O-CG2 3.34Å; Q570-V574 PolarHBondContact O-N 2.86Å; V571-V574 PolarHBondContact O-N 3.12Å; V574-L576 VanDerWaalsContact C-N 3.32Å; V574-L576 PolarHBondContact O-N 3.25Å; V574-E577 PolarHBondContact O-N 3.32Å; V574-E578 VanDerWaalsContact O-CB 3.26Å; V574-E578 WeakPolarHBondContact O-CB 3.2Å; V574-E578 PolarHBondContact O-N 2.89Å; V574-E658 HydrophobicContact CG2-CG 4.03Å
575	L	86.1	Confident	81.4	Confident	97 Å²	97	76.8 Å²	76.8	51%	0.508	39%	0.389	S	S	.	.	H	α-helix	trans	-64.2	-33.7	-178.4	-68.8	169.8	0	0	0	113.2	V571 M572 D579	V571-L575 HydrophobicContact CG1-CD1 3.85Å; V571-L575 HydrophobicContact CG1-CG 4.4Å; V571-L575 WeakPolarHBondContact O-CG 3.47Å; V571-L575 PolarHBondContact O-N 3.16Å; M572-L575 PolarHBondContact O-N 2.95Å; L575-D579 WeakPolarHBondContact O-CB 3.26Å; L575-D579 PolarHBondContact O-N 3.31Å
576	L	86.3	Confident	80	Confident	116 Å²	116	79.2 Å²	79.2	61%	0.607	40%	0.399	S	S	*	.	H	α-helix	trans	-75.5	-31.9	175.8	-72.8	169.6	0	0	0	112.8	M572 V573 V574 Q580	M572-L576 WeakPolarHBondContact O-CB 3.5Å; M572-L576 WeakPolarHBondContact O-CD1 3.35Å; M572-L576 WeakPolarHBondContact O-CG 3.18Å; M572-L576 PolarHBondContact O-N 3.06Å; V573-L576 PolarHBondContact O-N 3.3Å; V574-L576 VanDerWaalsContact C-N 3.32Å; V574-L576 PolarHBondContact O-N 3.25Å; L576-Q580 VanDerWaalsContact O-CB 3.25Å; L576-Q580 WeakPolarHBondContact O-CB 3.45Å; L576-Q580 PolarHBondContact O-N 3.34Å
577	E	82.8	Confident	78.8	Confident	23 Å²	23	80.8 Å²	80.8	11%	0.107	41%	0.405	C	S	.	.	H	α-helix	trans	-76.5	-34.4	173	-72.4	-171.9	-138.9	0	0	111.6	V573 V574 Q580 A581 W657 S660 R661	V573-E577 HydrophobicContact CG1-CG 4.48Å; V573-E577 VanDerWaalsContact CG1-OE1 3.26Å; V573-E577 WeakPolarHBondContact CG1-OE1 3.33Å; V573-E577 WeakPolarHBondContact O-CB 3.47Å; V573-E577 WeakPolarHBondContact O-CG 3.25Å; V573-E577 PolarHBondContact O-N 3.29Å; V574-E577 PolarHBondContact O-N 3.32Å; E577-Q580 CarbonylContact O-C 3.37Å; E577-Q580 PolarHBondContact O-N 2.75Å; E577-A581 VanDerWaalsContact O-CB 3.27Å; E577-A581 WeakPolarHBondContact O-CB 3.39Å; E577-A581 PolarHBondContact O-N 2.86Å; E577-W657 CarbonylContact C-O 3.45Å; E577-W657 VanDerWaalsContact C-O 3.25Å; E577-W657 VanDerWaalsContact CB-O 3.3Å; E577-W657 WeakPolarHBondContact CB-O 3.43Å; E577-S660 PolarHBondContact OE1-OG 2.74Å; E577-S660 WeakPolarHBondContact OE2-CB 3.32Å; E577-S660 PolarHBondContact OE2-N 3.34Å; E577-S660 PolarHBondContact OE2-OG 2.9Å; E577-R661 IonicContact OE1-CZ 3.68Å; E577-R661 VanDerWaalsContact OE1-CZ 3.27Å; E577-R661 IonicContact OE1-NH1 3.93Å; E577-R661 PolarHBondContact OE1-NH1 2.84Å; E577-R661 IonicContact OE1-NH2 2.95Å; E577-R661 PolarHBondContact OE1-NH2 3.13Å; E577-R661 IonicContact OE2-NH1 2.68Å
578	E	81.9	Confident	77.3	Confident	75 Å²	75	83 Å²	83	35%	0.35	41%	0.406	S	S	.	.	H	α-helix	trans	-63.8	-54.6	173.5	-176.1	179.2	178.9	0	0	111.8	V574 Q580 A581 E582 W657	V574-E578 VanDerWaalsContact O-CB 3.26Å; V574-E578 WeakPolarHBondContact O-CB 3.2Å; V574-E578 PolarHBondContact O-N 2.89Å; E578-Q580 PolarHBondContact O-N 2.64Å; E578-A581 WeakPolarHBondContact O-CB 3.5Å; E578-A581 PolarHBondContact O-N 2.89Å; E578-E582 PolarHBondContact O-N 2.92Å; E578-W657 HydrophobicContact CB-CB 4.24Å; E578-W657 HydrophobicContact CG-CB 4.37Å; E578-W657 HydrophobicContact CG-CD2 4.3Å; E578-W657 HydrophobicContact CG-CE3 4.06Å; E578-W657 HydrophobicContact CG-CG 4.45Å; E578-W657 PolarHBondContact N-O 3.32Å
579	D	81	Confident	75.4	Confident	51 Å²	51	85.6 Å²	85.6	27%	0.273	42%	0.421	S	S	.	.	H	α-helix	trans	-57.4	-36.7	173.8	169.2	85.3	0	0	0	111.7	L575 R583	L575-D579 WeakPolarHBondContact O-CB 3.26Å; L575-D579 PolarHBondContact O-N 3.31Å; D579-R583 VanDerWaalsContact CG-NE 3.27Å; D579-R583 VanDerWaalsContact CG-NH2 3.3Å; D579-R583 VanDerWaalsContact O-CB 3.24Å; D579-R583 WeakPolarHBondContact O-CB 3.43Å; D579-R583 VanDerWaalsContact O-CD 3.31Å; D579-R583 WeakPolarHBondContact O-CD 3.42Å; D579-R583 WeakPolarHBondContact O-CG 3.47Å; D579-R583 PolarHBondContact O-N 2.97Å; D579-R583 IonicContact OD1-CZ 3.12Å; D579-R583 IonicContact OD1-NE 3.87Å; D579-R583 PolarHBondContact OD1-NE 2.85Å; D579-R583 IonicContact OD1-NH1 3.39Å; D579-R583 IonicContact OD1-NH2 3.85Å; D579-R583 PolarHBondContact OD1-NH2 2.97Å; D579-R583 WeakPolarHBondContact OD2-CD 3.35Å; D579-R583 IonicContact OD2-CZ 2.9Å; D579-R583 IonicContact OD2-NE 2.67Å; D579-R583 PolarHBondContact OD2-NE 2.85Å; D579-R583 IonicContact OD2-NH1 2.74Å; D579-R583 PolarHBondContact OD2-NH1 2.94Å; D579-R583 IonicContact OD2-NH2 2.71Å; D579-R583 PolarHBondContact OD2-NH2 3.33Å; D579-R583 VanDerWaalsContact OD2-NH2 3.15Å
580	Q	79.3	Confident	73.2	Confident	99 Å²	99	92.8 Å²	92.8	46%	0.463	45%	0.445	S	S	.	.	H	α-helix	trans	-72.2	-35.2	174.9	-165.7	-175.5	114.6	0	0	112.7	L576 E577 E578 K584	L576-Q580 VanDerWaalsContact O-CB 3.25Å; L576-Q580 WeakPolarHBondContact O-CB 3.45Å; L576-Q580 PolarHBondContact O-N 3.34Å; E577-Q580 CarbonylContact O-C 3.37Å; E577-Q580 PolarHBondContact O-N 2.75Å; E578-Q580 PolarHBondContact O-N 2.64Å; Q580-K584 HydrophobicContact CG-CD 4.31Å; Q580-K584 WeakPolarHBondContact O-CB 2.87Å; Q580-K584 WeakPolarHBondContact O-CD 3.42Å; Q580-K584 WeakPolarHBondContact O-CG 3.26Å; Q580-K584 PolarHBondContact O-N 2.73Å
581	A	70.9	Confident	71.4	Confident	2 Å²	2	93.1 Å²	93.1	2%	0.017	46%	0.456	C	S	.	.	H	α-helix	trans	-69	-44.9	176.8	0	0	0	0	0	111.1	E577 E578 K584 S585 L603 W657	E577-A581 VanDerWaalsContact O-CB 3.27Å; E577-A581 WeakPolarHBondContact O-CB 3.39Å; E577-A581 PolarHBondContact O-N 2.86Å; E578-A581 WeakPolarHBondContact O-CB 3.5Å; E578-A581 PolarHBondContact O-N 2.89Å; A581-K584 WeakPolarHBondContact O-CB 3.28Å; A581-K584 PolarHBondContact O-N 3.2Å; A581-K584 VanDerWaalsContact O-N 3.1Å; A581-S585 PolarHBondContact O-N 2.96Å; A581-S585 PolarHBondContact O-OG 2.86Å; A581-L603 HydrophobicContact CB-CD2 4.07Å; A581-W657 HydrophobicContact CB-CE3 4.41Å
582	E	74.1	Confident	69.2	Low	106 Å²	106	96.5 Å²	96.5	50%	0.495	46%	0.463	S	S	.	.	H	α-helix	trans	-60.9	-45.8	172.7	-168.1	-167.6	-169	0	0	111.2	E578 K584 S585 L586	E578-E582 PolarHBondContact O-N 2.92Å; E582-K584 PolarHBondContact O-N 2.85Å; E582-S585 PolarHBondContact O-N 2.85Å; E582-S585 PolarHBondContact O-OG 2.95Å; E582-L586 HydrophobicContact CG-CD1 3.84Å; E582-L586 HydrophobicContact CG-CG 4.35Å; E582-L586 WeakPolarHBondContact O-CB 3.49Å; E582-L586 WeakPolarHBondContact O-CG 3.42Å; E582-L586 PolarHBondContact O-N 2.95Å
583	R	72.6	Confident	67.2	Low	148 Å²	148	97.5 Å²	97.5	56%	0.558	48%	0.476	S	S	*	.	H	α-helix	trans	-66.1	-17.8	175	-71.3	169.4	-174.3	-177.2	5.5	113.8	D579 R587	D579-R583 VanDerWaalsContact CG-NE 3.27Å; D579-R583 VanDerWaalsContact CG-NH2 3.3Å; D579-R583 VanDerWaalsContact O-CB 3.24Å; D579-R583 WeakPolarHBondContact O-CB 3.43Å; D579-R583 VanDerWaalsContact O-CD 3.31Å; D579-R583 WeakPolarHBondContact O-CD 3.42Å; D579-R583 WeakPolarHBondContact O-CG 3.47Å; D579-R583 PolarHBondContact O-N 2.97Å; D579-R583 IonicContact OD1-CZ 3.12Å; D579-R583 IonicContact OD1-NE 3.87Å; D579-R583 PolarHBondContact OD1-NE 2.85Å; D579-R583 IonicContact OD1-NH1 3.39Å; D579-R583 IonicContact OD1-NH2 3.85Å; D579-R583 PolarHBondContact OD1-NH2 2.97Å; D579-R583 WeakPolarHBondContact OD2-CD 3.35Å; D579-R583 IonicContact OD2-CZ 2.9Å; D579-R583 IonicContact OD2-NE 2.67Å; D579-R583 PolarHBondContact OD2-NE 2.85Å; D579-R583 IonicContact OD2-NH1 2.74Å; D579-R583 PolarHBondContact OD2-NH1 2.94Å; D579-R583 IonicContact OD2-NH2 2.71Å; D579-R583 PolarHBondContact OD2-NH2 3.33Å; D579-R583 VanDerWaalsContact OD2-NH2 3.15Å; R583-R587 WeakPolarHBondContact O-CB 3.33Å; R583-R587 WeakPolarHBondContact O-CD 3.21Å; R583-R587 WeakPolarHBondContact O-CG 3.48Å
584	K	67.3	Low	65.7	Low	82 Å²	82	99.3 Å²	99.3	36%	0.357	48%	0.484	S	S	.	.	H	α-helix	trans	-85.7	-47	172.5	-80.2	165.6	172.5	171.3	0	111.2	Q580 A581 E582 L586 R587 L603	Q580-K584 HydrophobicContact CG-CD 4.31Å; Q580-K584 WeakPolarHBondContact O-CB 2.87Å; Q580-K584 WeakPolarHBondContact O-CD 3.42Å; Q580-K584 WeakPolarHBondContact O-CG 3.26Å; Q580-K584 PolarHBondContact O-N 2.73Å; A581-K584 WeakPolarHBondContact O-CB 3.28Å; A581-K584 PolarHBondContact O-N 3.2Å; A581-K584 VanDerWaalsContact O-N 3.1Å; E582-K584 PolarHBondContact O-N 2.85Å; K584-L586 VanDerWaalsContact C-N 3.34Å; K584-L586 PolarHBondContact O-N 3.34Å; K584-R587 PolarHBondContact O-N 3.33Å; K584-R587 VanDerWaalsContact O-N 3.11Å; K584-L603 HydrophobicContact CB-CD1 4.38Å; K584-L603 HydrophobicContact CD-CD1 3.77Å
585	S	63.5	Low	64.6	Low	18 Å²	18	101.5 Å²	101.5	13%	0.126	50%	0.501	C	S	.	.	H	α-helix	trans	-62.2	-39.9	178.3	65	0	0	0	0	112.3	A581 E582 R587	A581-S585 PolarHBondContact O-N 2.96Å; A581-S585 PolarHBondContact O-OG 2.86Å; E582-S585 PolarHBondContact O-N 2.85Å; E582-S585 PolarHBondContact O-OG 2.95Å; S585-R587 VanDerWaalsContact C-N 3.3Å; S585-R587 PolarHBondContact O-N 2.89Å
586	L	61.9	Low	64.2	Low	127 Å²	127	98.2 Å²	98.2	67%	0.665	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-9.3	176.6	-62.4	177.7	0	0	0	113.9	E582 K584 K588	E582-L586 HydrophobicContact CG-CD1 3.84Å; E582-L586 HydrophobicContact CG-CG 4.35Å; E582-L586 WeakPolarHBondContact O-CB 3.49Å; E582-L586 WeakPolarHBondContact O-CG 3.42Å; E582-L586 PolarHBondContact O-N 2.95Å; K584-L586 VanDerWaalsContact C-N 3.34Å; K584-L586 PolarHBondContact O-N 3.34Å; L586-K588 PolarHBondContact O-N 2.79Å; L586-K588 VanDerWaalsContact O-N 3.14Å
587	R	57.8	Low	63.9	Low	193 Å²	193	96 Å²	96	73%	0.728	48%	0.478	S	S	*	.			trans	-84.7	85.1	177.6	-95.6	179.5	179.3	-160.2	0.8	110.7	R583 K584 S585 P589	R583-R587 WeakPolarHBondContact O-CB 3.33Å; R583-R587 WeakPolarHBondContact O-CD 3.21Å; R583-R587 WeakPolarHBondContact O-CG 3.48Å; K584-R587 PolarHBondContact O-N 3.33Å; K584-R587 VanDerWaalsContact O-N 3.11Å; S585-R587 VanDerWaalsContact C-N 3.3Å; S585-R587 PolarHBondContact O-N 2.89Å; R587-P589 VanDerWaalsContact O-N 3.13Å
588	K	53.9	Low	63.8	Low	118 Å²	118	95 Å²	95	51%	0.513	47%	0.473	S	S	.	.			trans	-42.7	121.2	160.9	-68.2	-179.8	-175.6	-80.3	0	109.3	L586 K590 D600	L586-K588 PolarHBondContact O-N 2.79Å; L586-K588 VanDerWaalsContact O-N 3.14Å; K588-K590 PolarHBondContact O-N 3.4Å; K588-D600 IonicContact NZ-OD1 3.87Å; K588-D600 PolarHBondContact NZ-OD1 3.21Å; K588-D600 IonicContact NZ-OD2 2.59Å; K588-D600 PolarHBondContact NZ-OD2 2.97Å
589	P	50.2	Low	63.9	Low	76 Å²	76	92 Å²	92	49%	0.494	46%	0.461	S	S	.	.			trans	-72.3	86.8	-170.2	27.1	-34.9	0	0	0	111.4	R587 T591	R587-P589 VanDerWaalsContact O-N 3.13Å; P589-T591 PolarHBondContact O-N 3.12Å
590	K	41.5	Very low	63.6	Low	204 Å²	204	91.9 Å²	91.9	89%	0.887	46%	0.46	S	S	*	.	S	Bend	trans	-62.1	-8.1	-170.3	-81.4	-172.9	173.3	-177.4	0	116.5	K588	K588-K590 PolarHBondContact O-N 3.4Å
591	T	46.8	Very low	63.4	Low	131 Å²	131	87.5 Å²	87.5	80%	0.804	44%	0.441	S	S	*	.	S	Bend	trans	-149.3	79.2	177.4	53.6	0	0	0	0	112.1	P589	P589-T591 PolarHBondContact O-N 3.12Å
592	K	40.3	Very low	64	Low	157 Å²	157	89.5 Å²	89.5	68%	0.683	46%	0.455	S	S	*	.			trans	-165	158.1	154.2	-117.4	162.6	167.4	-91.5	0	110.9	D594	K592-D594 WeakPolarHBondContact CD-OD2 3.48Å; K592-D594 WeakPolarHBondContact CG-OD2 3.2Å; K592-D594 IonicContact NZ-OD2 2.71Å; K592-D594 PolarHBondContact NZ-OD2 3.5Å; K592-D594 PolarHBondContact O-N 2.88Å
593	T	44.7	Very low	64.5	Low	137 Å²	137	84.6 Å²	84.6	84%	0.84	43%	0.432	S	S	*	.	S	Bend	trans	-79.4	0.2	177.9	34.8	0	0	0	0	113.8
594	D	53.1	Low	65.2	Low	93 Å²	93	81.5 Å²	81.5	50%	0.497	42%	0.424	S	S	.	.			trans	-117.1	25.5	-154.4	-33.2	-35.7	0	0	0	111.9	K592 L596	K592-D594 WeakPolarHBondContact CD-OD2 3.48Å; K592-D594 WeakPolarHBondContact CG-OD2 3.2Å; K592-D594 IonicContact NZ-OD2 2.71Å; K592-D594 PolarHBondContact NZ-OD2 3.5Å; K592-D594 PolarHBondContact O-N 2.88Å; D594-L596 PolarHBondContact O-N 2.86Å
595	S	61	Low	66.1	Low	78 Å²	78	77.7 Å²	77.7	55%	0.545	41%	0.408	S	S	.	.			trans	-81.8	110.8	178.1	56.7	0	0	0	0	111.1	S597	S595-S597 PolarHBondContact O-N 3.35Å
596	L	77.1	Confident	67.1	Low	29 Å²	29	79.8 Å²	79.8	15%	0.152	42%	0.417	C	S	.	.			trans	-56	132.9	175.2	-57	176.8	0	0	0	110.8	D594 F598 S599 F970 Q1005	D594-L596 PolarHBondContact O-N 2.86Å; L596-F598 HydrophobicContact CB-CD1 4.14Å; L596-F598 HydrophobicContact CB-CE1 3.82Å; L596-F598 HydrophobicContact CB-CZ 4.24Å; L596-F598 HydrophobicContact CD1-CE1 3.82Å; L596-F598 HydrophobicContact CD1-CZ 3.63Å; L596-F598 HydrophobicContact CG-CE1 4.35Å; L596-F598 PolarHBondContact O-N 3.04Å; L596-F598 VanDerWaalsContact O-N 3.15Å; L596-S599 PolarHBondContact O-N 2.96Å; L596-F970 HydrophobicContact CD1-CE1 3.79Å; L596-F970 HydrophobicContact CD1-CZ 3.83Å; L596-F970 HydrophobicContact CD2-CE1 3.92Å; L596-F970 HydrophobicContact CD2-CZ 4.2Å; L596-Q1005 HydrophobicContact CD1-CG 3.93Å
597	S	79.3	Confident	68.1	Low	70 Å²	70	73.9 Å²	73.9	49%	0.49	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.6	-167.5	59.5	0	0	0	0	115.1	S595 M966 E968	S595-S597 PolarHBondContact O-N 3.35Å; S597-M966 WeakPolarHBondContact OG-CE 3.47Å; S597-M966 PolarHBondContact OG-SD 3.25Å; S597-E968 WeakPolarHBondContact CB-OE1 3.4Å; S597-E968 PolarHBondContact N-OE1 2.88Å; S597-E968 PolarHBondContact OG-OE1 2.93Å
598	F	82.5	Confident	69.2	Low	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-14.1	170.3	61.1	-88.5	0	0	0	114.4	L596 L952 I954 M966 E968 Q1005 F1007 T1008 L1011	L596-F598 HydrophobicContact CB-CD1 4.14Å; L596-F598 HydrophobicContact CB-CE1 3.82Å; L596-F598 HydrophobicContact CB-CZ 4.24Å; L596-F598 HydrophobicContact CD1-CE1 3.82Å; L596-F598 HydrophobicContact CD1-CZ 3.63Å; L596-F598 HydrophobicContact CG-CE1 4.35Å; L596-F598 PolarHBondContact O-N 3.04Å; L596-F598 VanDerWaalsContact O-N 3.15Å; F598-L952 HydrophobicContact CE1-CD2 3.7Å; F598-L952 HydrophobicContact CE2-CD2 4.29Å; F598-L952 HydrophobicContact CZ-CD2 3.52Å; F598-I954 HydrophobicContact CB-CD1 3.54Å; F598-I954 HydrophobicContact CD1-CD1 3.7Å; F598-I954 HydrophobicContact CD2-CD1 4Å; F598-I954 HydrophobicContact CE1-CD1 4.37Å; F598-I954 HydrophobicContact CG-CD1 3.49Å; F598-I954 VanDerWaalsContact CG-CD1 3.49Å; F598-M966 HydrophobicContact CB-CE 4.41Å; F598-M966 HydrophobicContact CB-SD 3.52Å; F598-M966 VanDerWaalsContact CB-SD 3.52Å; F598-M966 HydrophobicContact CD1-SD 4.04Å; F598-M966 HydrophobicContact CG-SD 4.29Å; F598-M966 PolarHBondContact N-SD 2.84Å; F598-E968 HydrophobicContact CD1-CG 3.92Å; F598-E968 HydrophobicContact CE1-CB 4.28Å; F598-E968 HydrophobicContact CE1-CG 3.94Å; F598-Q1005 HydrophobicContact CE2-CB 3.75Å; F598-Q1005 HydrophobicContact CE2-CG 4.43Å; F598-Q1005 HydrophobicContact CZ-CB 4.26Å; F598-Q1005 HydrophobicContact CZ-CG 4.46Å; F598-F1007 HydrophobicContact CD2-CD1 4.12Å; F598-F1007 HydrophobicContact CD2-CE1 4.26Å; F598-T1008 WeakPolarHBondContact O-CB 3.37Å; F598-T1008 WeakPolarHBondContact O-CG2 3.37Å; F598-T1008 PolarHBondContact O-N 3.07Å; F598-T1008 PolarHBondContact O-OG1 3.38Å; F598-L1011 HydrophobicContact CB-CD1 3.76Å
599	S	83.4	Confident	70.6	Confident	14 Å²	14	65.5 Å²	65.5	10%	0.098	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.9	-164.9	-169	0	0	0	0	114.5	L596 G601 Q1005 Y1006	L596-S599 PolarHBondContact O-N 2.96Å; S599-G601 PolarHBondContact OG-N 3.01Å; S599-G601 PolarHBondContact OG-O 2.6Å; S599-Q1005 PolarHBondContact OG-OE1 3.37Å; S599-Y1006 WeakPolarHBondContact CA-O 3.29Å; S599-Y1006 WeakPolarHBondContact CB-O 3.34Å; S599-Y1006 PolarHBondContact OG-N 2.94Å; S599-Y1006 PolarHBondContact OG-O 3.15Å
600	D	73.8	Confident	72.1	Confident	48 Å²	48	64.9 Å²	64.9	26%	0.257	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-7.7	179.4	-124.4	2.4	0	0	0	113.6	K588 Y1006 T1008	K588-D600 IonicContact NZ-OD1 3.87Å; K588-D600 PolarHBondContact NZ-OD1 3.21Å; K588-D600 IonicContact NZ-OD2 2.59Å; K588-D600 PolarHBondContact NZ-OD2 2.97Å; D600-Y1006 PolarHBondContact N-O 2.89Å; D600-Y1006 VanDerWaalsContact N-O 3.14Å; D600-T1008 HydrophobicContact CB-CG2 4.28Å
601	G	75.6	Confident	74	Confident	6 Å²	6	55.3 Å²	55.3	6%	0.062	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.3	159.1	177.7	0	0	0	0	0	112.4	S599 Y1006	S599-G601 PolarHBondContact OG-N 3.01Å; S599-G601 PolarHBondContact OG-O 2.6Å; G601-Y1006 VanDerWaalsContact O-CD2 3.23Å; G601-Y1006 WeakPolarHBondContact O-CD2 3.34Å; G601-Y1006 PolarHBondContact O-N 3.08Å
602	S	83.1	Confident	75.9	Confident	44 Å²	44	49.1 Å²	49.1	31%	0.308	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	158.8	-178.2	83.1	0	0	0	0	114.3	E1003 L1004	S602-E1003 WeakPolarHBondContact CB-OE1 3.39Å; S602-E1003 PolarHBondContact OG-OE1 2.8Å; S602-L1004 CarbonylContact C-O 3.42Å; S602-L1004 VanDerWaalsContact CA-O 3.22Å; S602-L1004 WeakPolarHBondContact CA-O 3.06Å
603	L	84.8	Confident	77.9	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	103.6	176.9	-178.9	65.1	0	0	0	110.7	A581 K584 P659 L1004 Y1006	A581-L603 HydrophobicContact CB-CD2 4.07Å; K584-L603 HydrophobicContact CB-CD1 4.38Å; K584-L603 HydrophobicContact CD-CD1 3.77Å; L603-P659 HydrophobicContact CD1-CB 4.13Å; L603-P659 HydrophobicContact CD1-CG 4.12Å; L603-P659 HydrophobicContact CD2-CB 4.23Å; L603-P659 HydrophobicContact CD2-CG 4.41Å; L603-P659 HydrophobicContact CG-CB 4.26Å; L603-L1004 HydrophobicContact CB-CB 4.38Å; L603-L1004 PolarHBondContact N-O 3.39Å; L603-L1004 PolarHBondContact O-N 3.28Å; L603-Y1006 HydrophobicContact CB-CE2 3.89Å; L603-Y1006 WeakPolarHBondContact CD2-OH 3.42Å
604	Q	87	Confident	79.5	Confident	83 Å²	83	42.7 Å²	42.7	39%	0.388	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	127.7	170.6	-179	169.3	72.3	0	0	110.7
605	L	86.8	Confident	81.2	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	148.1	169.9	-58.4	-177.5	0	0	0	110.3	T607 M630 W654 P659 I1002 L1004	L605-T607 VanDerWaalsContact C-N 3.31Å; L605-T607 PolarHBondContact O-N 3.38Å; L605-M630 HydrophobicContact CD1-CE 3.56Å; L605-W654 HydrophobicContact CB-CE3 4.34Å; L605-W654 HydrophobicContact CB-CZ3 4.28Å; L605-W654 HydrophobicContact CD1-CB 4.29Å; L605-W654 HydrophobicContact CD1-CD2 3.87Å; L605-W654 HydrophobicContact CD1-CE3 4.17Å; L605-W654 HydrophobicContact CD1-CG 3.93Å; L605-P659 HydrophobicContact CD2-CB 3.82Å; L605-I1002 HydrophobicContact CB-CB 4.35Å; L605-I1002 HydrophobicContact CD1-CB 4.19Å; L605-I1002 HydrophobicContact CD1-CD1 4.45Å; L605-I1002 HydrophobicContact CD1-CG2 3.86Å; L605-I1002 HydrophobicContact CG-CB 4.46Å; L605-I1002 HydrophobicContact CG-CG2 4.32Å; L605-I1002 PolarHBondContact N-O 3.45Å; L605-L1004 HydrophobicContact CD1-CD1 3.95Å; L605-L1004 HydrophobicContact CD2-CD1 3.8Å; L605-L1004 HydrophobicContact CG-CD1 3.64Å
606	N	84.9	Confident	82.6	Confident	62 Å²	62	38.6 Å²	38.6	33%	0.332	22%	0.22	S	C	.	.			trans	-77.8	75.5	-179.3	-175.9	27.1	0	0	0	112.6	K608 L609 W654 P659 S660	N606-K608 VanDerWaalsContact C-N 3.27Å; N606-K608 PolarHBondContact O-N 3.4Å; N606-L609 WeakPolarHBondContact O-CG 3.5Å; N606-W654 WeakPolarHBondContact O-CH2 3.1Å; N606-P659 WeakPolarHBondContact CB-O 3.41Å; N606-P659 PolarHBondContact N-O 2.91Å; N606-S660 WeakPolarHBondContact CB-O 3.34Å; N606-S660 PolarHBondContact ND2-O 2.82Å
607	T	81.8	Confident	83.3	Confident	4 Å²	4	37.2 Å²	37.2	3%	0.025	21%	0.212	C	C	.	.			trans	-84.2	3.4	172.9	63.1	0	0	0	0	113.6	L605 L609 L612 W654 G1000 I1002	L605-T607 VanDerWaalsContact C-N 3.31Å; L605-T607 PolarHBondContact O-N 3.38Å; T607-L609 PolarHBondContact O-N 3.46Å; T607-L612 WeakPolarHBondContact O-CB 3.33Å; T607-W654 HydrophobicContact CG2-CH2 4.22Å; T607-W654 HydrophobicContact CG2-CZ2 4.01Å; T607-G1000 WeakPolarHBondContact CB-O 3.27Å; T607-G1000 WeakPolarHBondContact CG2-O 3.48Å; T607-G1000 PolarHBondContact OG1-O 2.82Å; T607-I1002 HydrophobicContact CG2-CB 4.25Å; T607-I1002 HydrophobicContact CG2-CD1 3.89Å; T607-I1002 HydrophobicContact CG2-CG1 3.96Å
608	K	82.1	Confident	83.9	Confident	123 Å²	123	36 Å²	36	54%	0.535	20%	0.203	S	C	.	.			trans	-76.8	31.6	-179.9	-63.3	170.5	-173.9	158	0	112.8	N606 L613	N606-K608 VanDerWaalsContact C-N 3.27Å; N606-K608 PolarHBondContact O-N 3.4Å; K608-L613 HydrophobicContact CB-CD2 4.49Å
609	L	83.9	Confident	84.3	Confident	12 Å²	12	38.1 Å²	38.1	6%	0.063	22%	0.215	C	C	.	.			trans	-85.9	141.3	-179.3	-53.5	-179.8	0	0	0	109.6	N606 T607 F611 L612 L613 P662 W716	N606-L609 WeakPolarHBondContact O-CG 3.5Å; T607-L609 PolarHBondContact O-N 3.46Å; L609-F611 HydrophobicContact CB-CD1 4.16Å; L609-F611 HydrophobicContact CB-CE1 3.69Å; L609-F611 HydrophobicContact CB-CZ 3.88Å; L609-F611 HydrophobicContact CD1-CE1 4.05Å; L609-F611 HydrophobicContact CD1-CE2 4.35Å; L609-F611 HydrophobicContact CD1-CZ 3.56Å; L609-F611 HydrophobicContact CG-CE1 4.46Å; L609-F611 HydrophobicContact CG-CZ 4.36Å; L609-F611 PolarHBondContact O-N 3.43Å; L609-L612 HydrophobicContact CB-CB 4.46Å; L609-L612 HydrophobicContact CB-CD1 4.33Å; L609-L612 HydrophobicContact CB-CG 4.3Å; L609-L612 HydrophobicContact CD1-CD1 4.07Å; L609-L612 HydrophobicContact CG-CD1 4.41Å; L609-L612 PolarHBondContact O-N 2.86Å; L609-L613 WeakPolarHBondContact O-CG 3.26Å; L609-L613 PolarHBondContact O-N 2.78Å; L609-L613 VanDerWaalsContact O-N 3.09Å; L609-P662 HydrophobicContact CD1-CG 4.15Å; L609-W716 HydrophobicContact CD1-CH2 3.81Å; L609-W716 HydrophobicContact CD1-CZ3 4.07Å; L609-W716 HydrophobicContact CD2-CH2 3.83Å; L609-W716 HydrophobicContact CD2-CZ2 4.14Å; L609-W716 HydrophobicContact CG-CH2 4.39Å
610	P	80.3	Confident	84.8	Confident	63 Å²	63	37.7 Å²	37.7	41%	0.409	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.5	-170	-26.4	33.9	0	0	0	115.8	I711	P610-I711 HydrophobicContact CB-CG2 3.84Å; P610-I711 HydrophobicContact CG-CG2 3.94Å
611	F	82.8	Confident	85.8	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.009	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-10.2	177.6	58.2	-88	0	0	0	114	L609 R615 A643 L645 I665 I711 W716	L609-F611 HydrophobicContact CB-CD1 4.16Å; L609-F611 HydrophobicContact CB-CE1 3.69Å; L609-F611 HydrophobicContact CB-CZ 3.88Å; L609-F611 HydrophobicContact CD1-CE1 4.05Å; L609-F611 HydrophobicContact CD1-CE2 4.35Å; L609-F611 HydrophobicContact CD1-CZ 3.56Å; L609-F611 HydrophobicContact CG-CE1 4.46Å; L609-F611 HydrophobicContact CG-CZ 4.36Å; L609-F611 PolarHBondContact O-N 3.43Å; F611-R615 WeakPolarHBondContact O-CD 3.46Å; F611-R615 PolarHBondContact O-NE 3.14Å; F611-A643 HydrophobicContact CB-CB 3.86Å; F611-L645 HydrophobicContact CB-CD1 4.2Å; F611-I665 HydrophobicContact CE1-CD1 4.38Å; F611-I665 HydrophobicContact CE2-CD1 3.73Å; F611-I665 HydrophobicContact CE2-CG1 4.36Å; F611-I665 HydrophobicContact CE2-CG2 4.4Å; F611-I665 HydrophobicContact CZ-CD1 3.45Å; F611-I665 VanDerWaalsContact CZ-CD1 3.45Å; F611-I665 HydrophobicContact CZ-CG1 4.44Å; F611-I711 HydrophobicContact CB-CD1 4.26Å; F611-I711 HydrophobicContact CD1-CD1 3.69Å; F611-I711 HydrophobicContact CG-CD1 4.36Å; F611-W716 AromaticContact CE1-CD2 3.68Å; F611-W716 HydrophobicContact CE1-CD2 3.68Å; F611-W716 AromaticContact CE1-CE2 3.8Å; F611-W716 AromaticContact CE1-CE3 3.93Å; F611-W716 HydrophobicContact CE1-CE3 3.93Å; F611-W716 HydrophobicContact CE1-CG 4.11Å; F611-W716 HydrophobicContact CE1-CH2 4.36Å; F611-W716 HydrophobicContact CE1-CZ2 4.15Å; F611-W716 HydrophobicContact CE1-CZ3 4.26Å; F611-W716 HydrophobicContact CZ-CD2 4.17Å; F611-W716 AromaticContact CZ-CE3 3.95Å; F611-W716 HydrophobicContact CZ-CE3 3.95Å; F611-W716 HydrophobicContact CZ-CZ3 4.14Å
612	L	86.2	Confident	86.6	Confident	2 Å²	2	38 Å²	38	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-24.2	175.8	-62.5	-175.7	0	0	0	113.2	T607 L609 G614 R615 H634 V650 W654	T607-L612 WeakPolarHBondContact O-CB 3.33Å; L609-L612 HydrophobicContact CB-CB 4.46Å; L609-L612 HydrophobicContact CB-CD1 4.33Å; L609-L612 HydrophobicContact CB-CG 4.3Å; L609-L612 HydrophobicContact CD1-CD1 4.07Å; L609-L612 HydrophobicContact CG-CD1 4.41Å; L609-L612 PolarHBondContact O-N 2.86Å; L612-G614 PolarHBondContact O-N 2.8Å; L612-G614 VanDerWaalsContact O-N 3.09Å; L612-R615 WeakPolarHBondContact O-CB 3.41Å; L612-R615 PolarHBondContact O-N 2.83Å; L612-H634 HydrophobicContact CD2-CB 4.33Å; L612-V650 HydrophobicContact CD2-CB 4.48Å; L612-V650 HydrophobicContact CD2-CG1 3.9Å; L612-W654 HydrophobicContact CD1-CZ2 4.25Å
613	L	82.9	Confident	86.9	Confident	114 Å²	114	36 Å²	36	60%	0.597	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	115.5	-177.2	-75.6	173.2	0	0	0	112.4	K608 L609	K608-L613 HydrophobicContact CB-CD2 4.49Å; L609-L613 WeakPolarHBondContact O-CG 3.26Å; L609-L613 PolarHBondContact O-N 2.78Å; L609-L613 VanDerWaalsContact O-N 3.09Å
614	G	78.3	Confident	86.8	Confident	44 Å²	44	42 Å²	42	45%	0.454	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	6.9	178.2	0	0	0	0	0	115.5	L612	L612-G614 PolarHBondContact O-N 2.8Å; L612-G614 VanDerWaalsContact O-N 3.09Å
615	R	87.9	Confident	86.6	Confident	3 Å²	3	41.4 Å²	41.4	1%	0.011	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-68.7	136.3	159.5	-91.7	115.7	-160.5	-51.5	6.7	110	F611 L612 H634 M635 T637 L645 C648 G1000	F611-R615 WeakPolarHBondContact O-CD 3.46Å; F611-R615 PolarHBondContact O-NE 3.14Å; L612-R615 WeakPolarHBondContact O-CB 3.41Å; L612-R615 PolarHBondContact O-N 2.83Å; R615-H634 HydrophobicContact CB-CB 3.79Å; R615-H634 HydrophobicContact CG-CB 3.78Å; R615-M635 WeakPolarHBondContact CG-O 3.35Å; R615-M635 PolarHBondContact NH1-O 3.38Å; R615-T637 HydrophobicContact CB-CG2 4.48Å; R615-T637 HydrophobicContact CG-CG2 3.75Å; R615-L645 PolarHBondContact NH2-O 2.9Å; R615-C648 PolarHBondContact NH1-O 3.45Å; R615-G1000 VanDerWaalsContact O-CA 3.22Å; R615-G1000 WeakPolarHBondContact O-CA 3.19Å; R615-G1000 PolarHBondContact O-N 2.97Å
616	Q	89.5	Confident	86.6	Confident	83 Å²	83	44.2 Å²	44.2	39%	0.388	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-80	139.5	159.9	179.8	172.8	-32	0	0	108.8	M635 T976 K998	Q616-M635 WeakPolarHBondContact O-CG 3.23Å; Q616-M635 PolarHBondContact O-N 2.7Å; Q616-T976 HydrophobicContact CG-CG2 4.18Å; Q616-K998 HydrophobicContact CG-CG 4.22Å
617	I	92.5	Very high	86.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.4	172.9	-62.7	157.4	0	0	0	109.1	V620 V633 T976 A996 I1002	I617-V620 HydrophobicContact CG2-CG2 3.89Å; I617-V633 VanDerWaalsContact CA-O 3.31Å; I617-V633 WeakPolarHBondContact CA-O 3.39Å; I617-V633 WeakPolarHBondContact CG2-O 3.45Å; I617-T976 WeakPolarHBondContact O-CB 3.35Å; I617-T976 PolarHBondContact O-OG1 3.01Å; I617-A996 HydrophobicContact CB-CB 3.91Å; I617-A996 HydrophobicContact CD1-CB 3.8Å; I617-A996 HydrophobicContact CG1-CB 4.47Å; I617-A996 HydrophobicContact CG2-CB 3.56Å; I617-I1002 HydrophobicContact CD1-CD1 3.92Å; I617-I1002 HydrophobicContact CD1-CG1 3.43Å; I617-I1002 VanDerWaalsContact CD1-CG1 3.43Å
618	S	91.3	Very high	86.8	Confident	43 Å²	43	47.5 Å²	47.5	30%	0.301	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-40.4	177.4	52.9	0	0	0	0	113	V633 M635	S618-V633 PolarHBondContact N-O 2.97Å; S618-V633 WeakPolarHBondContact OG-CG1 3.34Å; S618-V633 PolarHBondContact OG-O 2.93Å; S618-M635 VanDerWaalsContact CB-SD 3.51Å; S618-M635 PolarHBondContact OG-SD 2.93Å
619	L	92	Very high	87.2	Confident	46 Å²	46	42.3 Å²	42.3	24%	0.241	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139.2	-174	178.3	63.9	0	0	0	111	S632 V633 C675	L619-S632 CarbonylContact O-C 3.47Å; L619-S632 WeakPolarHBondContact O-CA 3.45Å; L619-V633 HydrophobicContact CB-CB 4.13Å; L619-V633 HydrophobicContact CB-CG2 3.94Å; L619-V633 HydrophobicContact CD2-CG2 4.25Å; L619-V633 HydrophobicContact CG-CG2 4.45Å; L619-V633 PolarHBondContact O-N 3.32Å; L619-C675 HydrophobicContact CD2-CB 4Å
620	V	94.6	Very high	87.7	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.024	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.4	163.7	179.5	0	0	0	0	108.4	I617 M630 L631 A977 A979 A994 A996	I617-V620 HydrophobicContact CG2-CG2 3.89Å; V620-M630 HydrophobicContact CG1-CE 4.08Å; V620-M630 HydrophobicContact CG1-CG 3.82Å; V620-M630 HydrophobicContact CG1-SD 3.49Å; V620-M630 WeakPolarHBondContact CG1-SD 3.42Å; V620-L631 VanDerWaalsContact CA-O 3.31Å; V620-L631 WeakPolarHBondContact CA-O 3.45Å; V620-A977 HydrophobicContact CG2-CB 4.35Å; V620-A979 HydrophobicContact CB-CB 4.29Å; V620-A979 HydrophobicContact CG1-CB 3.91Å; V620-A994 HydrophobicContact CG1-CB 4.17Å; V620-A996 HydrophobicContact CG2-CB 3.53Å
621	Q	92.9	Very high	88.4	Confident	47 Å²	47	38.7 Å²	38.7	22%	0.22	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	135.3	-178.4	-171	-178.8	20.2	0	0	111.1	M630 L631 C675	Q621-M630 CarbonylContact O-C 3.25Å; Q621-M630 WeakPolarHBondContact O-CA 3.48Å; Q621-L631 PolarHBondContact N-O 2.83Å; Q621-L631 PolarHBondContact O-N 3.45Å; Q621-C675 PolarHBondContact OE1-O 3.34Å
622	F	93.1	Very high	89	Confident	13 Å²	13	38.6 Å²	38.6	6%	0.057	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	150.8	170.6	-76.3	-90.6	0	0	0	111.8	Q624 K627 M630 I656 A979 F981 A994 L1004	F622-Q624 PolarHBondContact O-N 2.75Å; F622-K627 WeakPolarHBondContact CD1-O 3.42Å; F622-M630 HydrophobicContact CD1-CB 3.88Å; F622-M630 HydrophobicContact CD1-CG 4.04Å; F622-M630 HydrophobicContact CD2-CG 4.12Å; F622-M630 HydrophobicContact CE1-CB 3.71Å; F622-M630 HydrophobicContact CE1-CG 3.82Å; F622-M630 HydrophobicContact CE1-SD 4.16Å; F622-M630 HydrophobicContact CE2-CG 3.87Å; F622-M630 HydrophobicContact CE2-SD 3.88Å; F622-M630 HydrophobicContact CG-CB 4.45Å; F622-M630 HydrophobicContact CG-CG 4.18Å; F622-M630 HydrophobicContact CZ-CB 4.11Å; F622-M630 HydrophobicContact CZ-CG 3.72Å; F622-M630 HydrophobicContact CZ-SD 3.57Å; F622-M630 VanDerWaalsContact CZ-SD 3.57Å; F622-I656 HydrophobicContact CE1-CD1 4.34Å; F622-I656 HydrophobicContact CE1-CG2 3.97Å; F622-A979 HydrophobicContact CD2-CB 3.8Å; F622-A979 HydrophobicContact CE2-CB 4Å; F622-F981 HydrophobicContact CD1-CB 3.92Å; F622-F981 HydrophobicContact CD2-CB 3.85Å; F622-F981 HydrophobicContact CE1-CB 3.77Å; F622-F981 HydrophobicContact CE1-CD1 4.15Å; F622-F981 HydrophobicContact CE1-CG 4.12Å; F622-F981 HydrophobicContact CE2-CB 3.72Å; F622-F981 AromaticContact CE2-CD1 3.61Å; F622-F981 HydrophobicContact CE2-CD1 3.61Å; F622-F981 HydrophobicContact CE2-CG 4.1Å; F622-F981 HydrophobicContact CG-CB 3.96Å; F622-F981 HydrophobicContact CZ-CB 3.68Å; F622-F981 AromaticContact CZ-CD1 3.37Å; F622-F981 HydrophobicContact CZ-CD1 3.37Å; F622-F981 HydrophobicContact CZ-CE1 4.25Å; F622-F981 AromaticContact CZ-CG 3.78Å; F622-F981 HydrophobicContact CZ-CG 3.78Å; F622-A994 HydrophobicContact CE2-CB 3.65Å; F622-A994 HydrophobicContact CZ-CB 3.91Å; F622-L1004 HydrophobicContact CZ-CD2 4.31Å
623	S	89.9	Confident	89.4	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.021	21%	0.205	C	C	.	.			trans	-69.5	125.7	165.6	174.1	0	0	0	0	110	V625 Q626 I629 S682	S623-V625 PolarHBondContact O-N 3.38Å; S623-V625 PolarHBondContact OG-N 2.94Å; S623-Q626 WeakPolarHBondContact CB-O 3.37Å; S623-Q626 CarbonylContact O-C 3.55Å; S623-Q626 PolarHBondContact OG-N 3.01Å; S623-Q626 VanDerWaalsContact OG-N 3.15Å; S623-I629 PolarHBondContact N-O 2.99Å; S623-S682 WeakPolarHBondContact CB-OG 3.39Å; S623-S682 PolarHBondContact OG-OG 2.94Å
624	Q	83.3	Confident	89.9	Confident	130 Å²	130	33.1 Å²	33.1	61%	0.607	18%	0.177	S	C	*	.	S	Bend	trans	-64	-21.5	176.1	-60.9	-60.9	-30.6	0	0	112.5	F622	F622-Q624 PolarHBondContact O-N 2.75Å
625	V	82.3	Confident	90.5	Very high	69 Å²	69	32.6 Å²	32.6	42%	0.418	16%	0.163	S	C	.	.	S	Bend	trans	-95.9	-51.5	-178.2	-171.4	0	0	0	0	111.4	S623 G680	S623-V625 PolarHBondContact O-N 3.38Å; S623-V625 PolarHBondContact OG-N 2.94Å; V625-G680 WeakPolarHBondContact CG1-O 3.14Å
626	Q	85.9	Confident	90.4	Very high	62 Å²	62	34.8 Å²	34.8	29%	0.29	18%	0.177	S	C	.	.	S	Bend	trans	-110.5	83.9	-178.5	-66.9	170.6	-88.1	0	0	108.2	S623 H628 I629 S682	S623-Q626 WeakPolarHBondContact CB-O 3.37Å; S623-Q626 CarbonylContact O-C 3.55Å; S623-Q626 PolarHBondContact OG-N 3.01Å; S623-Q626 VanDerWaalsContact OG-N 3.15Å; Q626-H628 PolarHBondContact O-N 3.22Å; Q626-I629 HydrophobicContact CB-CB 4.46Å; Q626-I629 HydrophobicContact CB-CD1 3.85Å; Q626-I629 HydrophobicContact CB-CG1 3.98Å; Q626-I629 HydrophobicContact CG-CD1 4.46Å; Q626-I629 WeakPolarHBondContact O-CB 3.36Å; Q626-I629 PolarHBondContact O-N 3.37Å; Q626-S682 WeakPolarHBondContact CB-OG 3.29Å; Q626-S682 VanDerWaalsContact OE1-CB 3.23Å; Q626-S682 PolarHBondContact OE1-OG 3.34Å
627	K	85.3	Confident	90.1	Very high	65 Å²	65	31.9 Å²	31.9	28%	0.283	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-12.2	-172	-61.7	171.8	171.9	-167.1	0	115	F622 G982 D983	F622-K627 WeakPolarHBondContact CD1-O 3.42Å; K627-G982 WeakPolarHBondContact CD-O 3.28Å; K627-G982 PolarHBondContact NZ-O 3.2Å; K627-D983 HydrophobicContact CD-CB 3.94Å; K627-D983 IonicContact NZ-OD1 2.64Å; K627-D983 PolarHBondContact NZ-OD1 3.42Å
628	H	86	Confident	88.8	Confident	69 Å²	69	38.3 Å²	38.3	32%	0.319	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-11.4	171.9	61	-97.8	0	0	0	114.6	Q626 N655 I656	Q626-H628 PolarHBondContact O-N 3.22Å; H628-N655 WeakPolarHBondContact O-CA 3.23Å; H628-N655 PolarHBondContact O-OD1 2.92Å; H628-I656 HydrophobicContact CB-CD1 4.25Å; H628-I656 HydrophobicContact CB-CG1 4.09Å; H628-I656 WeakPolarHBondContact O-CG1 3.15Å; H628-I656 PolarHBondContact O-N 3.31Å
629	I	91.5	Very high	87.8	Confident	14 Å²	14	43.7 Å²	43.7	7%	0.072	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.2	-179.9	-54.8	-176	0	0	0	109.6	S623 Q626 V653 W654 F677	S623-I629 PolarHBondContact N-O 2.99Å; Q626-I629 HydrophobicContact CB-CB 4.46Å; Q626-I629 HydrophobicContact CB-CD1 3.85Å; Q626-I629 HydrophobicContact CB-CG1 3.98Å; Q626-I629 HydrophobicContact CG-CD1 4.46Å; Q626-I629 WeakPolarHBondContact O-CB 3.36Å; Q626-I629 PolarHBondContact O-N 3.37Å; I629-V653 HydrophobicContact CG2-CG1 3.64Å; I629-W654 WeakPolarHBondContact CA-O 3.34Å; I629-F677 HydrophobicContact CG2-CE1 4.05Å; I629-F677 HydrophobicContact CG2-CZ 3.83Å
630	M	93.6	Very high	86.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.7	-178.4	-167.2	-164.4	74.2	0	0	110.6	L605 V620 Q621 F622 V653 W654 I656 A994 I1002	L605-M630 HydrophobicContact CD1-CE 3.56Å; V620-M630 HydrophobicContact CG1-CE 4.08Å; V620-M630 HydrophobicContact CG1-CG 3.82Å; V620-M630 HydrophobicContact CG1-SD 3.49Å; V620-M630 WeakPolarHBondContact CG1-SD 3.42Å; Q621-M630 CarbonylContact O-C 3.25Å; Q621-M630 WeakPolarHBondContact O-CA 3.48Å; F622-M630 HydrophobicContact CD1-CB 3.88Å; F622-M630 HydrophobicContact CD1-CG 4.04Å; F622-M630 HydrophobicContact CD2-CG 4.12Å; F622-M630 HydrophobicContact CE1-CB 3.71Å; F622-M630 HydrophobicContact CE1-CG 3.82Å; F622-M630 HydrophobicContact CE1-SD 4.16Å; F622-M630 HydrophobicContact CE2-CG 3.87Å; F622-M630 HydrophobicContact CE2-SD 3.88Å; F622-M630 HydrophobicContact CG-CB 4.45Å; F622-M630 HydrophobicContact CG-CG 4.18Å; F622-M630 HydrophobicContact CZ-CB 4.11Å; F622-M630 HydrophobicContact CZ-CG 3.72Å; F622-M630 HydrophobicContact CZ-SD 3.57Å; F622-M630 VanDerWaalsContact CZ-SD 3.57Å; M630-V653 WeakPolarHBondContact O-CA 3.17Å; M630-W654 HydrophobicContact CE-CB 4.39Å; M630-W654 HydrophobicContact CE-CG 4.18Å; M630-W654 PolarHBondContact N-O 3.21Å; M630-W654 PolarHBondContact O-N 3.33Å; M630-I656 HydrophobicContact CB-CG2 4.43Å; M630-A994 HydrophobicContact SD-CB 3.76Å; M630-I1002 HydrophobicContact CE-CD1 4.3Å; M630-I1002 HydrophobicContact CE-CG2 4.17Å
631	L	95.1	Very high	84.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.4	174.8	-177.9	150.8	0	0	0	109.5	V620 Q621 V633 I651 C652 C675 F677 V685	V620-L631 VanDerWaalsContact CA-O 3.31Å; V620-L631 WeakPolarHBondContact CA-O 3.45Å; Q621-L631 PolarHBondContact N-O 2.83Å; Q621-L631 PolarHBondContact O-N 3.45Å; L631-V633 HydrophobicContact CD2-CG2 3.63Å; L631-I651 HydrophobicContact CD1-CG2 3.74Å; L631-I651 HydrophobicContact CD2-CG2 3.76Å; L631-I651 HydrophobicContact CG-CG2 3.53Å; L631-C652 WeakPolarHBondContact CA-O 3.45Å; L631-C675 HydrophobicContact CD1-CB 4.21Å; L631-C675 HydrophobicContact CD2-CB 3.97Å; L631-F677 HydrophobicContact CB-CE2 3.78Å; L631-F677 HydrophobicContact CB-CZ 3.69Å; L631-F677 HydrophobicContact CD1-CZ 4.32Å; L631-V685 HydrophobicContact CD1-CG1 3.61Å; L631-V685 HydrophobicContact CD1-CG2 4.17Å
632	S	95.2	Very high	83.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.6	171.5	64.9	0	0	0	0	110.9	L619 H634 I651 C652 W654	L619-S632 CarbonylContact O-C 3.47Å; L619-S632 WeakPolarHBondContact O-CA 3.45Å; S632-H634 PolarHBondContact O-CD2 3.42Å; S632-H634 PolarHBondContact OG-CD2 3.29Å; S632-H634 PolarHBondContact OG-NE2 2.87Å; S632-I651 WeakPolarHBondContact O-CA 3.38Å; S632-C652 PolarHBondContact N-O 2.83Å; S632-C652 PolarHBondContact O-N 2.74Å; S632-C652 PolarHBondContact OG-O 2.67Å; S632-W654 PolarHBondContact OG-NE1 2.85Å
633	V	94.8	Very high	81.7	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.1	178	-175.2	0	0	0	0	110.1	I617 S618 L619 L631 T649 I651 V672	I617-V633 VanDerWaalsContact CA-O 3.31Å; I617-V633 WeakPolarHBondContact CA-O 3.39Å; I617-V633 WeakPolarHBondContact CG2-O 3.45Å; S618-V633 PolarHBondContact N-O 2.97Å; S618-V633 WeakPolarHBondContact OG-CG1 3.34Å; S618-V633 PolarHBondContact OG-O 2.93Å; L619-V633 HydrophobicContact CB-CB 4.13Å; L619-V633 HydrophobicContact CB-CG2 3.94Å; L619-V633 HydrophobicContact CD2-CG2 4.25Å; L619-V633 HydrophobicContact CG-CG2 4.45Å; L619-V633 PolarHBondContact O-N 3.32Å; L631-V633 HydrophobicContact CD2-CG2 3.63Å; V633-T649 HydrophobicContact CG1-CG2 3.6Å; V633-I651 HydrophobicContact CG1-CG1 4.46Å; V633-I651 HydrophobicContact CG2-CG1 4.35Å; V633-I651 HydrophobicContact CG2-CG2 4.45Å; V633-V672 HydrophobicContact CG1-CB 4.24Å; V633-V672 HydrophobicContact CG1-CG1 4.48Å
634	H	93	Very high	80.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.1	-178	-64.9	-105.5	0	0	0	109.8	L612 R615 S632 V650	L612-H634 HydrophobicContact CD2-CB 4.33Å; R615-H634 HydrophobicContact CB-CB 3.79Å; R615-H634 HydrophobicContact CG-CB 3.78Å; S632-H634 PolarHBondContact O-CD2 3.42Å; S632-H634 PolarHBondContact OG-CD2 3.29Å; S632-H634 PolarHBondContact OG-NE2 2.87Å; H634-V650 WeakPolarHBondContact CA-O 3.5Å; H634-V650 HydrophobicContact CB-CB 4.3Å; H634-V650 VanDerWaalsContact CB-O 3.29Å; H634-V650 WeakPolarHBondContact CB-O 3.44Å; H634-V650 PolarHBondContact N-O 3.12Å; H634-V650 PolarHBondContact O-N 3.09Å
635	M	90.4	Very high	80.7	Confident	33 Å²	33	49.7 Å²	49.7	16%	0.163	31%	0.305	C	S	.	.			trans	-68.5	159.3	-170.4	-59.4	-59.9	-99.5	0	0	113.2	R615 Q616 S618 E671	R615-M635 WeakPolarHBondContact CG-O 3.35Å; R615-M635 PolarHBondContact NH1-O 3.38Å; Q616-M635 WeakPolarHBondContact O-CG 3.23Å; Q616-M635 PolarHBondContact O-N 2.7Å; S618-M635 VanDerWaalsContact CB-SD 3.51Å; S618-M635 PolarHBondContact OG-SD 2.93Å; M635-E671 HydrophobicContact CE-CG 3.39Å; M635-E671 WeakPolarHBondContact CE-OE1 3.27Å; M635-E671 HydrophobicContact SD-CG 4.22Å
636	P	86.8	Confident	80.6	Confident	49 Å²	49	48.1 Å²	48.1	32%	0.318	29%	0.294	S	S	.	.			trans	-52.5	151.7	170.9	-27.2	36.3	0	0	0	113.6	D646 G647	P636-D646 CarbonylContact C-O 3.6Å; P636-D646 WeakPolarHBondContact CA-O 3.34Å; P636-D646 WeakPolarHBondContact CB-O 3.47Å; P636-G647 WeakPolarHBondContact CG-O 3.41Å
637	T	82	Confident	80.4	Confident	21 Å²	21	47.8 Å²	47.8	13%	0.129	31%	0.307	C	S	.	.			trans	-114	124.5	179.9	54	0	0	0	0	112	R615 K639 D646	R615-T637 HydrophobicContact CB-CG2 4.48Å; R615-T637 HydrophobicContact CG-CG2 3.75Å; T637-K639 PolarHBondContact O-N 3.4Å; T637-K639 PolarHBondContact OG1-O 2.82Å; T637-D646 PolarHBondContact N-O 2.84Å
638	S	66.9	Low	80.6	Confident	135 Å²	135	45.9 Å²	45.9	94%	0.944	30%	0.302	S	S	*	.	S	Bend	trans	-72	-9.6	168	57.3	0	0	0	0	113.9
639	K	69.2	Low	80.9	Confident	156 Å²	156	42.6 Å²	42.6	68%	0.678	29%	0.286	S	S	*	.	S	Bend	trans	-87.9	130.6	170.2	-64.8	176	-178.3	172.8	0	108.9	T637 S641	T637-K639 PolarHBondContact O-N 3.4Å; T637-K639 PolarHBondContact OG1-O 2.82Å; K639-S641 PolarHBondContact O-N 3.16Å
640	A	62.6	Low	81	Confident	99 Å²	99	42 Å²	42	82%	0.818	28%	0.283	S	S	*	.			trans	-65.5	127.7	176	0	0	0	0	0	111.1	D646	A640-D646 VanDerWaalsContact CA-OD2 3.27Å; A640-D646 WeakPolarHBondContact CA-OD2 3.3Å
641	S	62.7	Low	81.1	Confident	31 Å²	31	42 Å²	42	22%	0.217	28%	0.283	C	S	.	.			trans	-110.3	151.1	173.3	81	0	0	0	0	111.1	K639 A643 G644 D646	K639-S641 PolarHBondContact O-N 3.16Å; S641-A643 PolarHBondContact O-N 2.88Å; S641-A643 PolarHBondContact OG-N 2.69Å; S641-G644 PolarHBondContact O-N 3.02Å; S641-D646 WeakPolarHBondContact CB-OD1 3.1Å; S641-D646 VanDerWaalsContact N-CG 3.27Å; S641-D646 PolarHBondContact N-OD1 2.85Å; S641-D646 PolarHBondContact N-OD2 3.46Å; S641-D646 PolarHBondContact OG-OD1 3.38Å
642	T	56.3	Low	81.1	Confident	151 Å²	151	42 Å²	42	93%	0.926	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-6.3	177.7	-26.4	0	0	0	0	113.5
643	A	63.9	Low	81.1	Confident	12 Å²	12	42 Å²	42	10%	0.099	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-15	179.4	0	0	0	0	0	113.8	F611 S641 L645 L709 I711	F611-A643 HydrophobicContact CB-CB 3.86Å; S641-A643 PolarHBondContact O-N 2.88Å; S641-A643 PolarHBondContact OG-N 2.69Å; A643-L645 HydrophobicContact CB-CD1 4.34Å; A643-L645 HydrophobicContact CB-CG 4.25Å; A643-L645 PolarHBondContact O-N 2.99Å; A643-L709 HydrophobicContact CB-CD2 4.22Å; A643-I711 HydrophobicContact CB-CD1 3.94Å
644	G	70.7	Confident	81	Confident	62 Å²	62	42 Å²	42	64%	0.639	28%	0.283	S	S	*	.	S	Bend	trans	68.2	15.4	-178.7	0	0	0	0	0	115.1	S641 D646	S641-G644 PolarHBondContact O-N 3.02Å; G644-D646 VanDerWaalsContact C-N 3.33Å
645	L	79.6	Confident	80.8	Confident	15 Å²	15	42.5 Å²	42.5	8%	0.079	29%	0.286	C	S	.	.			trans	-94.8	15.5	-179	-61.4	177.1	0	0	0	112.8	F611 R615 A643 G647 C648 I667 L718	F611-L645 HydrophobicContact CB-CD1 4.2Å; R615-L645 PolarHBondContact NH2-O 2.9Å; A643-L645 HydrophobicContact CB-CD1 4.34Å; A643-L645 HydrophobicContact CB-CG 4.25Å; A643-L645 PolarHBondContact O-N 2.99Å; L645-G647 PolarHBondContact O-N 3.34Å; L645-C648 WeakPolarHBondContact O-CB 3.3Å; L645-C648 PolarHBondContact O-N 2.97Å; L645-I667 HydrophobicContact CD2-CD1 4.46Å; L645-L718 HydrophobicContact CD1-CD1 3.85Å; L645-L718 HydrophobicContact CD1-CD2 4.45Å; L645-L718 HydrophobicContact CD2-CD1 3.92Å; L645-L718 HydrophobicContact CG-CD1 4.44Å
646	D	80.3	Confident	80.6	Confident	36 Å²	36	41 Å²	41	19%	0.193	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-39.8	-159.5	-57.2	-25.1	0	0	0	112.9	P636 T637 A640 S641 G644 C648	P636-D646 CarbonylContact C-O 3.6Å; P636-D646 WeakPolarHBondContact CA-O 3.34Å; P636-D646 WeakPolarHBondContact CB-O 3.47Å; T637-D646 PolarHBondContact N-O 2.84Å; A640-D646 VanDerWaalsContact CA-OD2 3.27Å; A640-D646 WeakPolarHBondContact CA-OD2 3.3Å; S641-D646 WeakPolarHBondContact CB-OD1 3.1Å; S641-D646 VanDerWaalsContact N-CG 3.27Å; S641-D646 PolarHBondContact N-OD1 2.85Å; S641-D646 PolarHBondContact N-OD2 3.46Å; S641-D646 PolarHBondContact OG-OD1 3.38Å; G644-D646 VanDerWaalsContact C-N 3.33Å; D646-C648 VanDerWaalsContact C-N 3.3Å; D646-C648 PolarHBondContact O-N 3.45Å
647	G	82.6	Confident	80.4	Confident	55 Å²	55	41.4 Å²	41.4	57%	0.567	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-14.4	173.4	0	0	0	0	0	114.6	P636 L645	P636-G647 WeakPolarHBondContact CG-O 3.41Å; L645-G647 PolarHBondContact O-N 3.34Å
648	C	89.1	Confident	80.5	Confident	25 Å²	25	41.1 Å²	41.1	17%	0.169	27%	0.271	C	S	.	.	S	Bend	trans	-91.8	142.6	-172.4	-55.7	0	0	0	0	112.5	R615 L645 D646 Y668	R615-C648 PolarHBondContact NH1-O 3.45Å; L645-C648 WeakPolarHBondContact O-CB 3.3Å; L645-C648 PolarHBondContact O-N 2.97Å; D646-C648 VanDerWaalsContact C-N 3.3Å; D646-C648 PolarHBondContact O-N 3.45Å; C648-Y668 CarbonylContact C-O 3.43Å; C648-Y668 VanDerWaalsContact CA-O 3.24Å; C648-Y668 WeakPolarHBondContact CA-O 3.44Å; C648-Y668 VanDerWaalsContact CB-O 3.31Å; C648-Y668 WeakPolarHBondContact CB-O 3.22Å
649	T	92.9	Very high	81.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.8	163.1	-54.4	0	0	0	0	109.3	V633 I667 Y668 S670 E671 V672	V633-T649 HydrophobicContact CG1-CG2 3.6Å; T649-I667 WeakPolarHBondContact O-CA 3.39Å; T649-Y668 PolarHBondContact N-O 2.87Å; T649-Y668 PolarHBondContact O-N 3.41Å; T649-Y668 VanDerWaalsContact O-N 3.08Å; T649-S670 WeakPolarHBondContact CB-O 3.36Å; T649-S670 PolarHBondContact OG1-O 2.97Å; T649-E671 WeakPolarHBondContact OG1-CA 3.49Å; T649-V672 HydrophobicContact CG2-CB 3.99Å; T649-V672 HydrophobicContact CG2-CG2 3.96Å
650	V	93.5	Very high	82.1	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.3	178.7	179	0	0	0	0	109	L612 H634 I665 I667	L612-V650 HydrophobicContact CD2-CB 4.48Å; L612-V650 HydrophobicContact CD2-CG1 3.9Å; H634-V650 WeakPolarHBondContact CA-O 3.5Å; H634-V650 HydrophobicContact CB-CB 4.3Å; H634-V650 VanDerWaalsContact CB-O 3.29Å; H634-V650 WeakPolarHBondContact CB-O 3.44Å; H634-V650 PolarHBondContact N-O 3.12Å; H634-V650 PolarHBondContact O-N 3.09Å; V650-I665 HydrophobicContact CG1-CG2 3.76Å; V650-I667 HydrophobicContact CG2-CG2 4.16Å
651	I	95.4	Very high	83.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.2	175.7	-50.7	174.5	0	0	0	108	L631 S632 V633 L666 V672 W697	L631-I651 HydrophobicContact CD1-CG2 3.74Å; L631-I651 HydrophobicContact CD2-CG2 3.76Å; L631-I651 HydrophobicContact CG-CG2 3.53Å; S632-I651 WeakPolarHBondContact O-CA 3.38Å; V633-I651 HydrophobicContact CG1-CG1 4.46Å; V633-I651 HydrophobicContact CG2-CG1 4.35Å; V633-I651 HydrophobicContact CG2-CG2 4.45Å; I651-L666 HydrophobicContact CB-CB 4.1Å; I651-L666 HydrophobicContact CB-CD1 4.34Å; I651-L666 HydrophobicContact CB-CG 4.38Å; I651-L666 HydrophobicContact CG2-CD1 4.27Å; I651-L666 PolarHBondContact N-O 2.86Å; I651-L666 PolarHBondContact O-N 2.84Å; I651-V672 HydrophobicContact CD1-CG1 4.43Å; I651-V672 HydrophobicContact CD1-CG2 4.41Å; I651-W697 HydrophobicContact CD1-CH2 3.87Å; I651-W697 HydrophobicContact CD1-CZ2 4.42Å; I651-W697 HydrophobicContact CD1-CZ3 4.15Å
652	C	94.8	Very high	84.6	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.6	175.4	-71.3	0	0	0	0	110.3	L631 S632 W654 P662	L631-C652 WeakPolarHBondContact CA-O 3.45Å; S632-C652 PolarHBondContact N-O 2.83Å; S632-C652 PolarHBondContact O-N 2.74Å; S632-C652 PolarHBondContact OG-O 2.67Å; C652-W654 HydrophobicContact CB-CZ2 4.01Å; C652-P662 HydrophobicContact CB-CB 3.92Å
653	V	95.2	Very high	86.2	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.2	169.3	-174.4	0	0	0	0	107.9	I629 M630 P662 Q663 K664 L666 F677 L699	I629-V653 HydrophobicContact CG2-CG1 3.64Å; M630-V653 WeakPolarHBondContact O-CA 3.17Å; V653-P662 CarbonylContact O-C 3.6Å; V653-Q663 PolarHBondContact O-N 2.65Å; V653-K664 HydrophobicContact CB-CB 4.07Å; V653-K664 HydrophobicContact CB-CG 4.48Å; V653-K664 HydrophobicContact CG2-CB 4.25Å; V653-K664 PolarHBondContact N-O 3.1Å; V653-K664 PolarHBondContact O-N 3.17Å; V653-L666 HydrophobicContact CG2-CD1 4.31Å; V653-F677 HydrophobicContact CG1-CE1 4.42Å; V653-F677 HydrophobicContact CG1-CZ 4.48Å; V653-L699 HydrophobicContact CG1-CD1 4.31Å; V653-L699 HydrophobicContact CG2-CD1 4.21Å; V653-L699 HydrophobicContact CG2-CD2 4.48Å
654	W	93.3	Very high	87.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.8	-177.6	-56.6	89	0	0	0	110.3	L605 N606 T607 L612 I629 M630 S632 C652 P662	L605-W654 HydrophobicContact CB-CE3 4.34Å; L605-W654 HydrophobicContact CB-CZ3 4.28Å; L605-W654 HydrophobicContact CD1-CB 4.29Å; L605-W654 HydrophobicContact CD1-CD2 3.87Å; L605-W654 HydrophobicContact CD1-CE3 4.17Å; L605-W654 HydrophobicContact CD1-CG 3.93Å; N606-W654 WeakPolarHBondContact O-CH2 3.1Å; T607-W654 HydrophobicContact CG2-CH2 4.22Å; T607-W654 HydrophobicContact CG2-CZ2 4.01Å; L612-W654 HydrophobicContact CD1-CZ2 4.25Å; I629-W654 WeakPolarHBondContact CA-O 3.34Å; M630-W654 HydrophobicContact CE-CB 4.39Å; M630-W654 HydrophobicContact CE-CG 4.18Å; M630-W654 PolarHBondContact N-O 3.21Å; M630-W654 PolarHBondContact O-N 3.33Å; S632-W654 PolarHBondContact OG-NE1 2.85Å; C652-W654 HydrophobicContact CB-CZ2 4.01Å; W654-P662 HydrophobicContact CD2-CB 4.07Å; W654-P662 HydrophobicContact CE3-CB 4.06Å; W654-P662 HydrophobicContact CH2-CB 4.18Å; W654-P662 HydrophobicContact CH2-CG 4.24Å; W654-P662 HydrophobicContact CZ2-CB 4.18Å; W654-P662 HydrophobicContact CZ3-CB 4.13Å; W654-P662 HydrophobicContact CZ3-CG 4.41Å
655	N	89.2	Confident	88.7	Confident	10 Å²	10	24.1 Å²	24.1	5%	0.053	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.3	156.5	172.1	18.3	0	0	0	106.9	H628 W657 E658 Q663	H628-N655 WeakPolarHBondContact O-CA 3.23Å; H628-N655 PolarHBondContact O-OD1 2.92Å; N655-W657 PolarHBondContact O-N 3.38Å; N655-W657 PolarHBondContact OD1-N 2.9Å; N655-E658 HydrophobicContact CB-CB 4.24Å; N655-E658 HydrophobicContact CB-CG 4.5Å; N655-E658 PolarHBondContact ND2-OE1 2.97Å; N655-E658 CarbonylContact O-C 3.58Å; N655-E658 PolarHBondContact O-N 3.24Å; N655-Q663 HydrophobicContact CB-CG 4Å
656	I	85.8	Confident	89.4	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-15.2	-176.2	66.5	-168.6	0	0	0	113.2	F622 H628 M630 Y990 L1004	F622-I656 HydrophobicContact CE1-CD1 4.34Å; F622-I656 HydrophobicContact CE1-CG2 3.97Å; H628-I656 HydrophobicContact CB-CD1 4.25Å; H628-I656 HydrophobicContact CB-CG1 4.09Å; H628-I656 WeakPolarHBondContact O-CG1 3.15Å; H628-I656 PolarHBondContact O-N 3.31Å; M630-I656 HydrophobicContact CB-CG2 4.43Å; I656-Y990 HydrophobicContact CD1-CD1 4.44Å; I656-Y990 HydrophobicContact CD1-CE1 3.37Å; I656-Y990 VanDerWaalsContact CD1-OH 3.24Å; I656-Y990 WeakPolarHBondContact CD1-OH 3.42Å; I656-Y990 HydrophobicContact CG1-CE1 4.34Å; I656-Y990 WeakPolarHBondContact CG1-OH 3.4Å; I656-L1004 HydrophobicContact CB-CD2 3.97Å; I656-L1004 HydrophobicContact CG2-CD2 3.63Å
657	W	82.3	Confident	90	Very high	59 Å²	59	22 Å²	22	22%	0.223	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-11.2	168.8	-48.4	117.8	0	0	0	113.5	E577 E578 A581 N655 P659 Y990	E577-W657 CarbonylContact C-O 3.45Å; E577-W657 VanDerWaalsContact C-O 3.25Å; E577-W657 VanDerWaalsContact CB-O 3.3Å; E577-W657 WeakPolarHBondContact CB-O 3.43Å; E578-W657 HydrophobicContact CB-CB 4.24Å; E578-W657 HydrophobicContact CG-CB 4.37Å; E578-W657 HydrophobicContact CG-CD2 4.3Å; E578-W657 HydrophobicContact CG-CE3 4.06Å; E578-W657 HydrophobicContact CG-CG 4.45Å; E578-W657 PolarHBondContact N-O 3.32Å; A581-W657 HydrophobicContact CB-CE3 4.41Å; N655-W657 PolarHBondContact O-N 3.38Å; N655-W657 PolarHBondContact OD1-N 2.9Å; W657-P659 VanDerWaalsContact O-CD 3.3Å; W657-P659 WeakPolarHBondContact O-CD 2.94Å; W657-Y990 HydrophobicContact CE3-CE2 4.45Å; W657-Y990 AromaticContact CH2-CD2 3.39Å; W657-Y990 HydrophobicContact CH2-CD2 3.39Å; W657-Y990 AromaticContact CH2-CE2 3.28Å; W657-Y990 HydrophobicContact CH2-CE2 3.28Å; W657-Y990 HydrophobicContact CH2-CG 4.13Å; W657-Y990 AromaticContact CH2-CZ 3.98Å; W657-Y990 HydrophobicContact CZ2-CD2 4.2Å; W657-Y990 HydrophobicContact CZ2-CE2 4.08Å; W657-Y990 HydrophobicContact CZ3-CD2 4Å; W657-Y990 AromaticContact CZ3-CE2 3.5Å; W657-Y990 HydrophobicContact CZ3-CE2 3.5Å
658	E	85.1	Confident	90.5	Very high	15 Å²	15	20.3 Å²	20.3	7%	0.07	10%	0.096	C	C	.	.			trans	-118	61.6	174.5	-68.4	169.9	-96.8	0	0	111	V574 N655 S660 Q663	V574-E658 HydrophobicContact CG2-CG 4.03Å; N655-E658 HydrophobicContact CB-CB 4.24Å; N655-E658 HydrophobicContact CB-CG 4.5Å; N655-E658 PolarHBondContact ND2-OE1 2.97Å; N655-E658 CarbonylContact O-C 3.58Å; N655-E658 PolarHBondContact O-N 3.24Å; E658-S660 PolarHBondContact O-N 3.2Å; E658-Q663 PolarHBondContact OE1-NE2 2.68Å
659	P	84.5	Confident	90.6	Very high	9 Å²	9	26.3 Å²	26.3	6%	0.058	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-10.6	-173.3	29.4	-38.3	0	0	0	114.3	L603 L605 N606 W657	L603-P659 HydrophobicContact CD1-CB 4.13Å; L603-P659 HydrophobicContact CD1-CG 4.12Å; L603-P659 HydrophobicContact CD2-CB 4.23Å; L603-P659 HydrophobicContact CD2-CG 4.41Å; L603-P659 HydrophobicContact CG-CB 4.26Å; L605-P659 HydrophobicContact CD2-CB 3.82Å; N606-P659 WeakPolarHBondContact CB-O 3.41Å; N606-P659 PolarHBondContact N-O 2.91Å; W657-P659 VanDerWaalsContact O-CD 3.3Å; W657-P659 WeakPolarHBondContact O-CD 2.94Å
660	S	84.3	Confident	90.4	Very high	36 Å²	36	27.6 Å²	27.6	25%	0.252	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-22.2	-175.7	72.7	0	0	0	0	115	E577 N606 E658	E577-S660 PolarHBondContact OE1-OG 2.74Å; E577-S660 WeakPolarHBondContact OE2-CB 3.32Å; E577-S660 PolarHBondContact OE2-N 3.34Å; E577-S660 PolarHBondContact OE2-OG 2.9Å; N606-S660 WeakPolarHBondContact CB-O 3.34Å; N606-S660 PolarHBondContact ND2-O 2.82Å; E658-S660 PolarHBondContact O-N 3.2Å
661	R	86.8	Confident	90.3	Very high	95 Å²	95	30.4 Å²	30.4	36%	0.358	14%	0.143	S	C	.	.	S	Bend	trans	-157.2	145.9	-176.8	68.5	-170.3	74.7	72.9	5.6	111.7	E577	E577-R661 IonicContact OE1-CZ 3.68Å; E577-R661 VanDerWaalsContact OE1-CZ 3.27Å; E577-R661 IonicContact OE1-NH1 3.93Å; E577-R661 PolarHBondContact OE1-NH1 2.84Å; E577-R661 IonicContact OE1-NH2 2.95Å; E577-R661 PolarHBondContact OE1-NH2 3.13Å; E577-R661 IonicContact OE2-NH1 2.68Å
662	P	91.6	Very high	90.2	Very high	10 Å²	10	30.4 Å²	30.4	7%	0.065	14%	0.143	C	C	.	.			trans	-68.7	137.5	170.3	29.6	-34	0	0	0	110.2	L609 C652 V653 W654 K664 I665	L609-P662 HydrophobicContact CD1-CG 4.15Å; C652-P662 HydrophobicContact CB-CB 3.92Å; V653-P662 CarbonylContact O-C 3.6Å; W654-P662 HydrophobicContact CD2-CB 4.07Å; W654-P662 HydrophobicContact CE3-CB 4.06Å; W654-P662 HydrophobicContact CH2-CB 4.18Å; W654-P662 HydrophobicContact CH2-CG 4.24Å; W654-P662 HydrophobicContact CZ2-CB 4.18Å; W654-P662 HydrophobicContact CZ3-CB 4.13Å; W654-P662 HydrophobicContact CZ3-CG 4.41Å; P662-K664 VanDerWaalsContact C-N 3.32Å; P662-K664 PolarHBondContact O-N 2.83Å; P662-I665 HydrophobicContact CB-CG1 4.41Å; P662-I665 HydrophobicContact CG-CD1 4.15Å; P662-I665 HydrophobicContact CG-CG1 3.82Å
663	Q	89.3	Confident	90.1	Very high	75 Å²	75	34.2 Å²	34.2	35%	0.35	16%	0.161	S	C	.	.	S	Bend	trans	-67.1	-33.2	177	-74.8	-168.2	-21.1	0	0	112.5	V653 N655 E658	V653-Q663 PolarHBondContact O-N 2.65Å; N655-Q663 HydrophobicContact CB-CG 4Å; E658-Q663 PolarHBondContact OE1-NE2 2.68Å
664	K	92.8	Very high	90	Very high	58 Å²	58	34.7 Å²	34.7	25%	0.252	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	140.1	179	-48.1	-76	165.1	155.1	0	109.3	V653 P662 L666 L699	V653-K664 HydrophobicContact CB-CB 4.07Å; V653-K664 HydrophobicContact CB-CG 4.48Å; V653-K664 HydrophobicContact CG2-CB 4.25Å; V653-K664 PolarHBondContact N-O 3.1Å; V653-K664 PolarHBondContact O-N 3.17Å; P662-K664 VanDerWaalsContact C-N 3.32Å; P662-K664 PolarHBondContact O-N 2.83Å; K664-L666 HydrophobicContact CB-CD2 4.18Å; K664-L699 HydrophobicContact CB-CD2 4.46Å; K664-L699 HydrophobicContact CG-CD2 4.34Å; K664-L699 PolarHBondContact NZ-O 2.95Å
665	I	94.1	Very high	90.1	Very high	6 Å²	6	35 Å²	35	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.6	171.8	-56.7	162.8	0	0	0	107.2	F611 V650 P662 I667 W716 L718 R719	F611-I665 HydrophobicContact CE1-CD1 4.38Å; F611-I665 HydrophobicContact CE2-CD1 3.73Å; F611-I665 HydrophobicContact CE2-CG1 4.36Å; F611-I665 HydrophobicContact CE2-CG2 4.4Å; F611-I665 HydrophobicContact CZ-CD1 3.45Å; F611-I665 VanDerWaalsContact CZ-CD1 3.45Å; F611-I665 HydrophobicContact CZ-CG1 4.44Å; V650-I665 HydrophobicContact CG1-CG2 3.76Å; P662-I665 HydrophobicContact CB-CG1 4.41Å; P662-I665 HydrophobicContact CG-CD1 4.15Å; P662-I665 HydrophobicContact CG-CG1 3.82Å; I665-I667 HydrophobicContact CG2-CG2 4.47Å; I665-W716 HydrophobicContact CD1-CD2 4.42Å; I665-W716 HydrophobicContact CD1-CE3 3.58Å; I665-W716 HydrophobicContact CD1-CZ3 4.21Å; I665-L718 HydrophobicContact CB-CD2 4.12Å; I665-L718 HydrophobicContact CD1-CD2 4.36Å; I665-L718 HydrophobicContact CG2-CD2 3.65Å; I665-R719 WeakPolarHBondContact O-CB 3.43Å; I665-R719 WeakPolarHBondContact O-CG 3.35Å; I665-R719 PolarHBondContact O-N 3.01Å
666	L	94.9	Very high	90.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.3	176.4	-30.3	175.7	0	0	0	108.5	I651 V653 K664 V685 W697 L699 R719	I651-L666 HydrophobicContact CB-CB 4.1Å; I651-L666 HydrophobicContact CB-CD1 4.34Å; I651-L666 HydrophobicContact CB-CG 4.38Å; I651-L666 HydrophobicContact CG2-CD1 4.27Å; I651-L666 PolarHBondContact N-O 2.86Å; I651-L666 PolarHBondContact O-N 2.84Å; V653-L666 HydrophobicContact CG2-CD1 4.31Å; K664-L666 HydrophobicContact CB-CD2 4.18Å; L666-V685 HydrophobicContact CD1-CB 4.08Å; L666-V685 HydrophobicContact CD1-CG1 4.04Å; L666-V685 HydrophobicContact CD1-CG2 4.23Å; L666-W697 HydrophobicContact CB-CD2 4.23Å; L666-W697 HydrophobicContact CB-CG 4.21Å; L666-W697 HydrophobicContact CB-CZ2 4.43Å; L666-W697 HydrophobicContact CD1-CB 4.11Å; L666-W697 HydrophobicContact CD1-CD2 3.97Å; L666-W697 HydrophobicContact CD1-CE3 4.3Å; L666-W697 HydrophobicContact CD1-CG 3.9Å; L666-W697 HydrophobicContact CD2-CB 4.38Å; L666-W697 HydrophobicContact CD2-CG 4.27Å; L666-W697 HydrophobicContact CG-CG 4.35Å; L666-L699 HydrophobicContact CD1-CD2 4.22Å; L666-L699 HydrophobicContact CD2-CD2 3.69Å; L666-R719 CarbonylContact C-O 3.5Å; L666-R719 VanDerWaalsContact CA-O 3.28Å; L666-R719 WeakPolarHBondContact CA-O 3.29Å; L666-R719 HydrophobicContact CD2-CB 3.89Å; L666-R719 HydrophobicContact CD2-CG 4.31Å
667	I	93.8	Very high	90.7	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.2	-179.5	55.2	168.9	0	0	0	111.6	L645 T649 V650 I665 L718 R719 H720	L645-I667 HydrophobicContact CD2-CD1 4.46Å; T649-I667 WeakPolarHBondContact O-CA 3.39Å; V650-I667 HydrophobicContact CG2-CG2 4.16Å; I665-I667 HydrophobicContact CG2-CG2 4.47Å; I667-L718 HydrophobicContact CD1-CB 3.84Å; I667-L718 HydrophobicContact CD1-CD1 4.35Å; I667-L718 HydrophobicContact CG1-CB 4.32Å; I667-R719 PolarHBondContact N-O 3.36Å; I667-H720 WeakPolarHBondContact CD1-NE2 3.06Å
668	Y	92.9	Very high	91	Very high	21 Å²	21	33 Å²	33	8%	0.082	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151	171.5	-164	-116.6	0	0	0	111.1	C648 T649 V672 T689 V695 P721 D726	C648-Y668 CarbonylContact C-O 3.43Å; C648-Y668 VanDerWaalsContact CA-O 3.24Å; C648-Y668 WeakPolarHBondContact CA-O 3.44Å; C648-Y668 VanDerWaalsContact CB-O 3.31Å; C648-Y668 WeakPolarHBondContact CB-O 3.22Å; T649-Y668 PolarHBondContact N-O 2.87Å; T649-Y668 PolarHBondContact O-N 3.41Å; T649-Y668 VanDerWaalsContact O-N 3.08Å; Y668-V672 HydrophobicContact CD1-CG2 4.49Å; Y668-T689 HydrophobicContact CD1-CG2 3.78Å; Y668-T689 HydrophobicContact CE1-CG2 3.47Å; Y668-T689 VanDerWaalsContact CE1-CG2 3.47Å; Y668-V695 HydrophobicContact CD2-CG1 4.36Å; Y668-V695 HydrophobicContact CE2-CG1 3.77Å; Y668-P721 HydrophobicContact CD2-CG 3.91Å; Y668-P721 HydrophobicContact CE2-CG 4.1Å; Y668-D726 PolarHBondContact OH-OD2 3.02Å
669	E	89.3	Confident	91	Very high	151 Å²	151	34.6 Å²	34.6	71%	0.706	17%	0.172	S	C	*	.	S	Bend	trans	-80.9	-22	-173.1	-65.4	179	-168.7	0	0	113.7
670	S	88.7	Confident	90.8	Very high	27 Å²	27	37.1 Å²	37.1	19%	0.189	20%	0.199	C	C	.	.	S	Bend	trans	-105.6	170.8	176.7	-162	0	0	0	0	112.6	T649 V691	T649-S670 WeakPolarHBondContact CB-O 3.36Å; T649-S670 PolarHBondContact OG1-O 2.97Å; S670-V691 WeakPolarHBondContact OG-CG2 3.33Å
671	E	91.8	Very high	90.6	Very high	58 Å²	58	42 Å²	42	27%	0.271	22%	0.216	S	C	.	.			trans	-70.6	126.9	176.7	-165.9	175.5	114.4	0	0	111.1	M635 T649 Q673 T689 Q690	M635-E671 HydrophobicContact CE-CG 3.39Å; M635-E671 WeakPolarHBondContact CE-OE1 3.27Å; M635-E671 HydrophobicContact SD-CG 4.22Å; T649-E671 WeakPolarHBondContact OG1-CA 3.49Å; E671-Q673 PolarHBondContact OE1-NE2 3.01Å; E671-T689 WeakPolarHBondContact O-CA 3.36Å; E671-Q690 HydrophobicContact CB-CB 4.12Å; E671-Q690 PolarHBondContact O-N 3.41Å; E671-Q690 PolarHBondContact OE1-NE2 2.89Å
672	V	94.1	Very high	90.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.2	178.1	175.8	0	0	0	0	109.5	V633 T649 I651 Y668 A687 T689	V633-V672 HydrophobicContact CG1-CB 4.24Å; V633-V672 HydrophobicContact CG1-CG1 4.48Å; T649-V672 HydrophobicContact CG2-CB 3.99Å; T649-V672 HydrophobicContact CG2-CG2 3.96Å; I651-V672 HydrophobicContact CD1-CG1 4.43Å; I651-V672 HydrophobicContact CD1-CG2 4.41Å; Y668-V672 HydrophobicContact CD1-CG2 4.49Å; V672-A687 HydrophobicContact CG1-CB 3.67Å; V672-T689 HydrophobicContact CG2-CG2 4.48Å
673	Q	92.4	Very high	90.5	Very high	80 Å²	80	39.4 Å²	39.4	37%	0.374	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-41.2	-177.3	-60.8	-58.4	-41.6	0	0	112	E671 G688 Q690	E671-Q673 PolarHBondContact OE1-NE2 3.01Å; Q673-G688 PolarHBondContact N-O 3.07Å; Q673-Q690 HydrophobicContact CG-CB 4.44Å
674	C	93.2	Very high	90.7	Very high	12 Å²	12	36.1 Å²	36.1	8%	0.081	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.7	-173.8	57.6	0	0	0	0	111.7	A687 G688 V738 S740 V741	C674-A687 CarbonylContact O-C 3.52Å; C674-A687 WeakPolarHBondContact O-CA 3.5Å; C674-A687 VanDerWaalsContact O-CB 3.31Å; C674-A687 WeakPolarHBondContact O-CB 3.46Å; C674-G688 PolarHBondContact N-O 2.9Å; C674-G688 PolarHBondContact O-N 3.37Å; C674-G688 VanDerWaalsContact SG-CA 3.59Å; C674-V738 PolarHBondContact SG-O 2.89Å; C674-V738 VanDerWaalsContact SG-O 3.34Å; C674-S740 VanDerWaalsContact SG-C 3.56Å; C674-S740 VanDerWaalsContact SG-CA 3.53Å; C674-V741 PolarHBondContact SG-N 3.39Å; C674-V741 VanDerWaalsContact SG-N 3.41Å
675	C	95.1	Very high	90.8	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.041	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	160.5	176.6	-65.2	0	0	0	0	111.5	L619 Q621 L631 F686	L619-C675 HydrophobicContact CD2-CB 4Å; Q621-C675 PolarHBondContact OE1-O 3.34Å; L631-C675 HydrophobicContact CD1-CB 4.21Å; L631-C675 HydrophobicContact CD2-CB 3.97Å; C675-F686 CarbonylContact C-O 3.57Å; C675-F686 VanDerWaalsContact CA-O 3.24Å; C675-F686 WeakPolarHBondContact CA-O 3.4Å
676	C	93.4	Very high	90.9	Very high	8 Å²	8	33 Å²	33	5%	0.054	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	160	161.8	73.4	0	0	0	0	112.2	F686	C676-F686 PolarHBondContact N-O 3.07Å; C676-F686 PolarHBondContact O-N 2.85Å
677	F	93.4	Very high	90.9	Very high	17 Å²	17	33 Å²	33	8%	0.075	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	159.7	169.9	-73	-78	0	0	0	111.4	I629 L631 V653 V685 V743	I629-F677 HydrophobicContact CG2-CE1 4.05Å; I629-F677 HydrophobicContact CG2-CZ 3.83Å; L631-F677 HydrophobicContact CB-CE2 3.78Å; L631-F677 HydrophobicContact CB-CZ 3.69Å; L631-F677 HydrophobicContact CD1-CZ 4.32Å; V653-F677 HydrophobicContact CG1-CE1 4.42Å; V653-F677 HydrophobicContact CG1-CZ 4.48Å; F677-V685 HydrophobicContact CD1-CG2 3.83Å; F677-V685 HydrophobicContact CE1-CG2 3.82Å; F677-V743 VanDerWaalsContact O-CG2 3.3Å; F677-V743 WeakPolarHBondContact O-CG2 3.44Å
678	S	90.3	Very high	91	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.028	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-63.3	153	167.7	43.3	0	0	0	0	113.7	K681 T683 L684	S678-K681 WeakPolarHBondContact CB-O 3.28Å; S678-K681 PolarHBondContact OG-O 3.29Å; S678-T683 PolarHBondContact OG-N 3.43Å; S678-L684 PolarHBondContact N-O 3.4Å; S678-L684 PolarHBondContact OG-N 2.83Å; S678-L684 PolarHBondContact OG-O 2.92Å
679	P	83.9	Confident	91	Very high	48 Å²	48	31.8 Å²	31.8	31%	0.312	18%	0.177	S	C	.	.	S	Bend	trans	-74.7	161.2	172.5	35.1	-32.7	0	0	0	110.5	K681 V743 F770	P679-K681 PolarHBondContact O-N 2.61Å; P679-V743 HydrophobicContact CB-CG1 3.94Å; P679-V743 HydrophobicContact CG-CG1 3.68Å; P679-F770 HydrophobicContact CG-CB 4.16Å; P679-F770 HydrophobicContact CG-CD1 3.77Å; P679-F770 HydrophobicContact CG-CD2 3.84Å; P679-F770 HydrophobicContact CG-CE1 4.06Å; P679-F770 HydrophobicContact CG-CE2 4.11Å; P679-F770 HydrophobicContact CG-CG 3.65Å; P679-F770 HydrophobicContact CG-CZ 4.21Å
680	G	79.9	Confident	91.2	Very high	61 Å²	61	29.1 Å²	29.1	63%	0.629	16%	0.164	S	C	*	.	S	Bend	trans	70	-35.7	174	0	0	0	0	0	116.3	V625	V625-G680 WeakPolarHBondContact CG1-O 3.14Å
681	K	81.7	Confident	91.2	Very high	140 Å²	140	31.7 Å²	31.7	61%	0.609	18%	0.179	S	C	*	.	S	Bend	trans	-153.1	148.8	171.6	-61.4	-179.1	-175.4	165.6	0	109.3	S678 P679 T683	S678-K681 WeakPolarHBondContact CB-O 3.28Å; S678-K681 PolarHBondContact OG-O 3.29Å; P679-K681 PolarHBondContact O-N 2.61Å; K681-T683 HydrophobicContact CB-CG2 4.07Å; K681-T683 PolarHBondContact O-N 2.8Å
682	S	86.3	Confident	91.2	Very high	7 Å²	7	29 Å²	29	5%	0.049	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	42.2	179.5	-32.3	0	0	0	0	112	S623 Q626	S623-S682 WeakPolarHBondContact CB-OG 3.39Å; S623-S682 PolarHBondContact OG-OG 2.94Å; Q626-S682 WeakPolarHBondContact CB-OG 3.29Å; Q626-S682 VanDerWaalsContact OE1-CB 3.23Å; Q626-S682 PolarHBondContact OE1-OG 3.34Å
683	T	89.8	Confident	91.1	Very high	42 Å²	42	29.2 Å²	29.2	26%	0.258	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-25.5	-174.3	40	0	0	0	0	113.6	S678 K681 L699 R700	S678-T683 PolarHBondContact OG-N 3.43Å; K681-T683 HydrophobicContact CB-CG2 4.07Å; K681-T683 PolarHBondContact O-N 2.8Å; T683-L699 WeakPolarHBondContact O-CB 3.48Å; T683-L699 PolarHBondContact O-N 3.16Å; T683-R700 HydrophobicContact CG2-CG 3.84Å
684	L	92.6	Very high	91.2	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.8	177.1	-45.4	175.9	0	0	0	110.5	S678 F686 W697 D698 F770 V786 V809	S678-L684 PolarHBondContact N-O 3.4Å; S678-L684 PolarHBondContact OG-N 2.83Å; S678-L684 PolarHBondContact OG-O 2.92Å; L684-F686 HydrophobicContact CB-CE2 3.99Å; L684-F686 HydrophobicContact CB-CZ 3.99Å; L684-F686 HydrophobicContact CD1-CZ 3.89Å; L684-W697 WeakPolarHBondContact CA-O 3.4Å; L684-D698 HydrophobicContact CD2-CB 3.81Å; L684-F770 HydrophobicContact CD1-CE1 4.33Å; L684-F770 HydrophobicContact CD1-CZ 4.15Å; L684-V786 HydrophobicContact CD1-CG1 3.92Å; L684-V809 HydrophobicContact CD1-CG1 3.99Å; L684-V809 HydrophobicContact CD2-CG2 4.03Å
685	V	95.3	Very high	91.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.2	168.9	173.3	0	0	0	0	108.3	L631 L666 F677 L696 W697 L699	L631-V685 HydrophobicContact CD1-CG1 3.61Å; L631-V685 HydrophobicContact CD1-CG2 4.17Å; L666-V685 HydrophobicContact CD1-CB 4.08Å; L666-V685 HydrophobicContact CD1-CG1 4.04Å; L666-V685 HydrophobicContact CD1-CG2 4.23Å; F677-V685 HydrophobicContact CD1-CG2 3.83Å; F677-V685 HydrophobicContact CE1-CG2 3.82Å; V685-L696 CarbonylContact O-C 3.58Å; V685-L696 WeakPolarHBondContact O-CA 3.11Å; V685-W697 HydrophobicContact CG1-CE3 4.22Å; V685-W697 PolarHBondContact N-O 3.07Å; V685-W697 PolarHBondContact O-N 3.18Å; V685-L699 HydrophobicContact CG2-CD1 3.99Å; V685-L699 HydrophobicContact CG2-CD2 4.16Å; V685-L699 HydrophobicContact CG2-CG 4.25Å
686	F	95.3	Very high	91.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.7	173.4	-51.6	-90.1	0	0	0	109.3	C675 C676 L684 V695 L696 V741 F770 L772 V786 L811	C675-F686 CarbonylContact C-O 3.57Å; C675-F686 VanDerWaalsContact CA-O 3.24Å; C675-F686 WeakPolarHBondContact CA-O 3.4Å; C676-F686 PolarHBondContact N-O 3.07Å; C676-F686 PolarHBondContact O-N 2.85Å; L684-F686 HydrophobicContact CB-CE2 3.99Å; L684-F686 HydrophobicContact CB-CZ 3.99Å; L684-F686 HydrophobicContact CD1-CZ 3.89Å; F686-V695 CarbonylContact C-O 3.59Å; F686-V695 WeakPolarHBondContact CA-O 3.48Å; F686-L696 HydrophobicContact CD1-CB 4.22Å; F686-L696 HydrophobicContact CD1-CD1 4.05Å; F686-L696 HydrophobicContact CD1-CG 3.97Å; F686-L696 HydrophobicContact CE1-CB 4.46Å; F686-L696 HydrophobicContact CE1-CD1 3.49Å; F686-L696 VanDerWaalsContact CE1-CD1 3.49Å; F686-L696 HydrophobicContact CE1-CG 3.76Å; F686-L696 HydrophobicContact CZ-CD1 4.4Å; F686-V741 HydrophobicContact CB-CG1 3.95Å; F686-F770 AromaticContact CE2-CE2 3.82Å; F686-F770 HydrophobicContact CE2-CE2 3.82Å; F686-F770 AromaticContact CE2-CZ 3.75Å; F686-F770 HydrophobicContact CE2-CZ 3.75Å; F686-F770 AromaticContact CZ-CE2 3.68Å; F686-F770 HydrophobicContact CZ-CE2 3.68Å; F686-F770 AromaticContact CZ-CZ 3.51Å; F686-F770 HydrophobicContact CZ-CZ 3.51Å; F686-L772 HydrophobicContact CB-CD1 4.11Å; F686-L772 HydrophobicContact CB-CD2 4.19Å; F686-L772 HydrophobicContact CD1-CD1 4.03Å; F686-L772 HydrophobicContact CD1-CD2 3.45Å; F686-L772 VanDerWaalsContact CD1-CD2 3.45Å; F686-L772 HydrophobicContact CD1-CG 4.35Å; F686-L772 HydrophobicContact CD2-CD1 3.87Å; F686-L772 HydrophobicContact CE1-CD1 4.43Å; F686-L772 HydrophobicContact CE1-CD2 3.99Å; F686-L772 HydrophobicContact CE2-CD1 4.32Å; F686-L772 HydrophobicContact CG-CD1 3.72Å; F686-L772 HydrophobicContact CG-CD2 3.89Å; F686-L772 HydrophobicContact CG-CG 4.47Å; F686-V786 HydrophobicContact CE1-CG1 4.31Å; F686-V786 HydrophobicContact CE1-CG2 3.75Å; F686-V786 HydrophobicContact CZ-CG1 4.17Å; F686-V786 HydrophobicContact CZ-CG2 3.79Å; F686-L811 HydrophobicContact CD1-CD2 4.42Å; F686-L811 HydrophobicContact CE1-CD2 4.06Å
687	A	95.9	Very high	91.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	151.7	172.1	0	0	0	0	0	113.3	V672 C674 V694 V695 W697	V672-A687 HydrophobicContact CG1-CB 3.67Å; C674-A687 CarbonylContact O-C 3.52Å; C674-A687 WeakPolarHBondContact O-CA 3.5Å; C674-A687 VanDerWaalsContact O-CB 3.31Å; C674-A687 WeakPolarHBondContact O-CB 3.46Å; A687-V694 WeakPolarHBondContact O-CA 3.49Å; A687-V695 HydrophobicContact CB-CG2 3.93Å; A687-V695 PolarHBondContact N-O 2.84Å; A687-V695 WeakPolarHBondContact O-CG2 3.45Å; A687-V695 PolarHBondContact O-N 3.29Å; A687-W697 HydrophobicContact CB-CH2 4.22Å; A687-W697 HydrophobicContact CB-CZ3 3.73Å
688	G	94.9	Very high	91.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.3	171.1	0	0	0	0	0	111	Q673 C674	Q673-G688 PolarHBondContact N-O 3.07Å; C674-G688 PolarHBondContact N-O 2.9Å; C674-G688 PolarHBondContact O-N 3.37Å; C674-G688 VanDerWaalsContact SG-CA 3.59Å
689	T	93.9	Very high	91.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	159	-170.9	69.4	0	0	0	0	112.1	Y668 E671 V672 V691 G692 S693 V695 V738	Y668-T689 HydrophobicContact CD1-CG2 3.78Å; Y668-T689 HydrophobicContact CE1-CG2 3.47Å; Y668-T689 VanDerWaalsContact CE1-CG2 3.47Å; E671-T689 WeakPolarHBondContact O-CA 3.36Å; V672-T689 HydrophobicContact CG2-CG2 4.48Å; T689-V691 PolarHBondContact O-N 3.06Å; T689-G692 PolarHBondContact O-N 3.34Å; T689-S693 WeakPolarHBondContact CB-O 3.18Å; T689-S693 WeakPolarHBondContact CG2-O 3.49Å; T689-S693 PolarHBondContact N-O 3.22Å; T689-S693 VanDerWaalsContact N-O 3.12Å; T689-S693 WeakPolarHBondContact OG1-CB 3.26Å; T689-S693 PolarHBondContact OG1-N 2.71Å; T689-S693 VanDerWaalsContact OG1-N 3.16Å; T689-S693 PolarHBondContact OG1-O 3.39Å; T689-V695 HydrophobicContact CG2-CG2 4.05Å; T689-V738 PolarHBondContact O-N 2.88Å
690	Q	92.5	Very high	91.6	Very high	94 Å²	94	26.4 Å²	26.4	44%	0.439	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.3	177.4	-166.7	178.7	64	0	0	113.4	E671 Q673 P737	E671-Q690 HydrophobicContact CB-CB 4.12Å; E671-Q690 PolarHBondContact O-N 3.41Å; E671-Q690 PolarHBondContact OE1-NE2 2.89Å; Q673-Q690 HydrophobicContact CG-CB 4.44Å; Q690-P737 WeakPolarHBondContact O-CG 3.44Å
691	V	90.2	Very high	92	Very high	82 Å²	82	24.6 Å²	24.6	50%	0.497	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-9	-179.7	174.5	0	0	0	0	112.7	S670 T689	S670-V691 WeakPolarHBondContact OG-CG2 3.33Å; T689-V691 PolarHBondContact O-N 3.06Å
692	G	90.7	Very high	92.1	Very high	1 Å²	1	26 Å²	26	1%	0.01	12%	0.122	C	C	.	.	S	Bend	trans	97.5	-8.2	-175.5	0	0	0	0	0	114.2	T689 H734 S736 V738	T689-G692 PolarHBondContact O-N 3.34Å; G692-H734 WeakPolarHBondContact O-CB 3.42Å; G692-S736 WeakPolarHBondContact CA-O 3.34Å; G692-V738 VanDerWaalsContact C-CG2 3.48Å; G692-V738 VanDerWaalsContact O-CG2 3.26Å; G692-V738 WeakPolarHBondContact O-CG2 3.47Å
693	S	92.4	Very high	92.1	Very high	6 Å²	6	27.7 Å²	27.7	4%	0.042	14%	0.136	C	C	.	.			trans	-74.2	131.2	177.6	-34.2	0	0	0	0	110.9	T689 D726	T689-S693 WeakPolarHBondContact CB-O 3.18Å; T689-S693 WeakPolarHBondContact CG2-O 3.49Å; T689-S693 PolarHBondContact N-O 3.22Å; T689-S693 VanDerWaalsContact N-O 3.12Å; T689-S693 WeakPolarHBondContact OG1-CB 3.26Å; T689-S693 PolarHBondContact OG1-N 2.71Å; T689-S693 VanDerWaalsContact OG1-N 3.16Å; T689-S693 PolarHBondContact OG1-O 3.39Å; S693-D726 WeakPolarHBondContact OG-CB 3.49Å; S693-D726 PolarHBondContact OG-OD1 2.78Å
694	V	94.2	Very high	91.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.1	163.2	-177.2	0	0	0	0	108.7	A687 T725 V738 L772 L811	A687-V694 WeakPolarHBondContact O-CA 3.49Å; V694-T725 HydrophobicContact CB-CG2 4.41Å; V694-T725 PolarHBondContact N-OG1 3.22Å; V694-T725 PolarHBondContact O-N 2.8Å; V694-T725 VanDerWaalsContact O-N 3.1Å; V694-T725 PolarHBondContact O-OG1 3.03Å; V694-V738 HydrophobicContact CG2-CG1 4.4Å; V694-V738 HydrophobicContact CG2-CG2 4.3Å; V694-L772 HydrophobicContact CG1-CD2 4.25Å; V694-L811 HydrophobicContact CG1-CD1 3.88Å
695	V	94.8	Very high	91.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.6	-174.5	-69.3	0	0	0	0	112.1	Y668 F686 A687 T689 W697 P721 S724	Y668-V695 HydrophobicContact CD2-CG1 4.36Å; Y668-V695 HydrophobicContact CE2-CG1 3.77Å; F686-V695 CarbonylContact C-O 3.59Å; F686-V695 WeakPolarHBondContact CA-O 3.48Å; A687-V695 HydrophobicContact CB-CG2 3.93Å; A687-V695 PolarHBondContact N-O 2.84Å; A687-V695 WeakPolarHBondContact O-CG2 3.45Å; A687-V695 PolarHBondContact O-N 3.29Å; T689-V695 HydrophobicContact CG2-CG2 4.05Å; V695-W697 HydrophobicContact CB-CH2 4.27Å; V695-W697 HydrophobicContact CB-CZ3 4.28Å; V695-W697 HydrophobicContact CG2-CH2 3.49Å; V695-W697 VanDerWaalsContact CG2-CH2 3.49Å; V695-W697 HydrophobicContact CG2-CZ2 4.47Å; V695-W697 HydrophobicContact CG2-CZ3 3.59Å; V695-P721 HydrophobicContact CB-CB 4.17Å; V695-S724 WeakPolarHBondContact CG1-OG 3.11Å
696	L	94.5	Very high	91.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	134.4	-171.1	-177.2	166.6	0	0	0	110.6	V685 F686 P721 T722 F723 V786 V809 L811	V685-L696 CarbonylContact O-C 3.58Å; V685-L696 WeakPolarHBondContact O-CA 3.11Å; F686-L696 HydrophobicContact CD1-CB 4.22Å; F686-L696 HydrophobicContact CD1-CD1 4.05Å; F686-L696 HydrophobicContact CD1-CG 3.97Å; F686-L696 HydrophobicContact CE1-CB 4.46Å; F686-L696 HydrophobicContact CE1-CD1 3.49Å; F686-L696 VanDerWaalsContact CE1-CD1 3.49Å; F686-L696 HydrophobicContact CE1-CG 3.76Å; F686-L696 HydrophobicContact CZ-CD1 4.4Å; L696-P721 CarbonylContact O-C 3.59Å; L696-P721 WeakPolarHBondContact O-CA 3.44Å; L696-P721 WeakPolarHBondContact O-CB 3.46Å; L696-T722 HydrophobicContact CD2-CG2 4.35Å; L696-T722 PolarHBondContact O-N 3.15Å; L696-F723 HydrophobicContact CB-CB 4.2Å; L696-F723 PolarHBondContact N-O 3.43Å; L696-F723 PolarHBondContact O-N 3.16Å; L696-F723 VanDerWaalsContact O-N 3.13Å; L696-V786 HydrophobicContact CD1-CG1 4.43Å; L696-V809 HydrophobicContact CD1-CB 4.44Å; L696-V809 HydrophobicContact CD1-CG1 3.74Å; L696-V809 HydrophobicContact CD2-CB 4.04Å; L696-V809 HydrophobicContact CD2-CG1 4.12Å; L696-L811 HydrophobicContact CD1-CD2 3.82Å; L696-L811 HydrophobicContact CD1-CG 3.95Å
697	W	94.9	Very high	90.7	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.5	168.9	-63.8	-102.7	0	0	0	111.4	I651 L666 L684 V685 A687 V695 R719 H720 P721	I651-W697 HydrophobicContact CD1-CH2 3.87Å; I651-W697 HydrophobicContact CD1-CZ2 4.42Å; I651-W697 HydrophobicContact CD1-CZ3 4.15Å; L666-W697 HydrophobicContact CB-CD2 4.23Å; L666-W697 HydrophobicContact CB-CG 4.21Å; L666-W697 HydrophobicContact CB-CZ2 4.43Å; L666-W697 HydrophobicContact CD1-CB 4.11Å; L666-W697 HydrophobicContact CD1-CD2 3.97Å; L666-W697 HydrophobicContact CD1-CE3 4.3Å; L666-W697 HydrophobicContact CD1-CG 3.9Å; L666-W697 HydrophobicContact CD2-CB 4.38Å; L666-W697 HydrophobicContact CD2-CG 4.27Å; L666-W697 HydrophobicContact CG-CG 4.35Å; L684-W697 WeakPolarHBondContact CA-O 3.4Å; V685-W697 HydrophobicContact CG1-CE3 4.22Å; V685-W697 PolarHBondContact N-O 3.07Å; V685-W697 PolarHBondContact O-N 3.18Å; A687-W697 HydrophobicContact CB-CH2 4.22Å; A687-W697 HydrophobicContact CB-CZ3 3.73Å; V695-W697 HydrophobicContact CB-CH2 4.27Å; V695-W697 HydrophobicContact CB-CZ3 4.28Å; V695-W697 HydrophobicContact CG2-CH2 3.49Å; V695-W697 VanDerWaalsContact CG2-CH2 3.49Å; V695-W697 HydrophobicContact CG2-CZ2 4.47Å; V695-W697 HydrophobicContact CG2-CZ3 3.59Å; W697-R719 PolarHBondContact NE1-O 3.14Å; W697-H720 VanDerWaalsContact NE1-C 3.3Å; W697-P721 VanDerWaalsContact CD1-CA 3.47Å; W697-P721 HydrophobicContact CD2-CB 4.16Å; W697-P721 HydrophobicContact CG-CB 4.49Å; W697-P721 HydrophobicContact CZ2-CB 4.13Å; W697-P721 HydrophobicContact CZ2-CG 4.45Å; W697-P721 VanDerWaalsContact NE1-N 3.16Å
698	D	93.1	Very high	90.4	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	113.9	167.3	-169.6	-17.8	0	0	0	110.5	L684 R700 E701 R719 T722	L684-D698 HydrophobicContact CD2-CB 3.81Å; D698-R700 PolarHBondContact O-N 3.09Å; D698-R700 WeakPolarHBondContact OD1-CA 3.49Å; D698-R700 WeakPolarHBondContact OD1-CB 3.36Å; D698-R700 VanDerWaalsContact OD1-CG 3.22Å; D698-R700 WeakPolarHBondContact OD1-CG 3.39Å; D698-R700 IonicContact OD1-CZ 3Å; D698-R700 PolarHBondContact OD1-N 3.31Å; D698-R700 IonicContact OD1-NE 3.19Å; D698-R700 PolarHBondContact OD1-NE 3.18Å; D698-R700 IonicContact OD1-NH2 3.65Å; D698-R700 IonicContact OD2-CZ 2.81Å; D698-R700 VanDerWaalsContact OD2-CZ 3.28Å; D698-R700 IonicContact OD2-NE 2.68Å; D698-R700 PolarHBondContact OD2-NE 2.82Å; D698-R700 IonicContact OD2-NH2 2.76Å; D698-R700 PolarHBondContact OD2-NH2 2.9Å; D698-E701 HydrophobicContact CB-CG 4.12Å; D698-E701 PolarHBondContact O-N 3.04Å; D698-R719 PolarHBondContact O-NH1 3.23Å; D698-T722 HydrophobicContact CB-CG2 4.37Å; D698-T722 PolarHBondContact N-OG1 3.29Å
699	L	91.4	Very high	89.9	Confident	17 Å²	17	46.6 Å²	46.6	9%	0.089	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-13.6	-178.9	-53.8	-169.8	0	0	0	112.6	V653 K664 L666 T683 V685 R719	V653-L699 HydrophobicContact CG1-CD1 4.31Å; V653-L699 HydrophobicContact CG2-CD1 4.21Å; V653-L699 HydrophobicContact CG2-CD2 4.48Å; K664-L699 HydrophobicContact CB-CD2 4.46Å; K664-L699 HydrophobicContact CG-CD2 4.34Å; K664-L699 PolarHBondContact NZ-O 2.95Å; L666-L699 HydrophobicContact CD1-CD2 4.22Å; L666-L699 HydrophobicContact CD2-CD2 3.69Å; T683-L699 WeakPolarHBondContact O-CB 3.48Å; T683-L699 PolarHBondContact O-N 3.16Å; V685-L699 HydrophobicContact CG2-CD1 3.99Å; V685-L699 HydrophobicContact CG2-CD2 4.16Å; V685-L699 HydrophobicContact CG2-CG 4.25Å; L699-R719 PolarHBondContact O-NH1 2.97Å
700	R	89.4	Confident	89.5	Confident	92 Å²	92	53.4 Å²	53.4	35%	0.347	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-19.8	177.2	-53	172	-67.4	-175.6	-1.4	112.8	T683 D698 E788	T683-R700 HydrophobicContact CG2-CG 3.84Å; D698-R700 PolarHBondContact O-N 3.09Å; D698-R700 WeakPolarHBondContact OD1-CA 3.49Å; D698-R700 WeakPolarHBondContact OD1-CB 3.36Å; D698-R700 VanDerWaalsContact OD1-CG 3.22Å; D698-R700 WeakPolarHBondContact OD1-CG 3.39Å; D698-R700 IonicContact OD1-CZ 3Å; D698-R700 PolarHBondContact OD1-N 3.31Å; D698-R700 IonicContact OD1-NE 3.19Å; D698-R700 PolarHBondContact OD1-NE 3.18Å; D698-R700 IonicContact OD1-NH2 3.65Å; D698-R700 IonicContact OD2-CZ 2.81Å; D698-R700 VanDerWaalsContact OD2-CZ 3.28Å; D698-R700 IonicContact OD2-NE 2.68Å; D698-R700 PolarHBondContact OD2-NE 2.82Å; D698-R700 IonicContact OD2-NH2 2.76Å; D698-R700 PolarHBondContact OD2-NH2 2.9Å; R700-E788 IonicContact CZ-OE1 3.51Å; R700-E788 IonicContact CZ-OE2 3.42Å; R700-E788 IonicContact NH1-OE1 2.73Å; R700-E788 PolarHBondContact NH1-OE1 3.17Å; R700-E788 IonicContact NH1-OE2 2.71Å; R700-E788 PolarHBondContact NH1-OE2 3.08Å; R700-E788 IonicContact NH2-OE1 2.95Å; R700-E788 PolarHBondContact NH2-OE1 2.96Å; R700-E788 IonicContact NH2-OE2 2.75Å; R700-E788 PolarHBondContact NH2-OE2 3.29Å
701	E	88.7	Confident	89	Confident	23 Å²	23	50.2 Å²	50.2	11%	0.107	24%	0.238	C	C	.	.	S	Bend	trans	-55.7	141.1	179.2	-75.4	176.8	-165.6	0	0	111.6	D698 H706 R719 T722	D698-E701 HydrophobicContact CB-CG 4.12Å; D698-E701 PolarHBondContact O-N 3.04Å; E701-H706 WeakPolarHBondContact CB-NE2 3.47Å; E701-H706 IonicContact OE2-CE1 3.81Å; E701-H706 PolarHBondContact OE2-CE1 3.13Å; E701-H706 IonicContact OE2-NE2 3.38Å; E701-H706 PolarHBondContact OE2-NE2 2.9Å; E701-R719 VanDerWaalsContact O-CZ 3.23Å; E701-R719 PolarHBondContact O-NH1 3.38Å; E701-R719 PolarHBondContact O-NH2 2.95Å; E701-T722 WeakPolarHBondContact OE1-CB 3.22Å; E701-T722 WeakPolarHBondContact OE1-CG2 3.4Å; E701-T722 PolarHBondContact OE1-OG1 3.41Å
702	Y	84.3	Confident	88.5	Confident	170 Å²	170	49.5 Å²	49.5	67%	0.667	25%	0.248	S	C	*	.			trans	-70.7	147.3	-178.1	-66.5	-72.8	0	0	0	112.1	S704 N705 H706	Y702-S704 VanDerWaalsContact CB-OG 3.26Å; Y702-S704 WeakPolarHBondContact CB-OG 3.4Å; Y702-S704 PolarHBondContact O-N 2.8Å; Y702-N705 PolarHBondContact O-N 3.21Å; Y702-H706 PolarHBondContact O-CD2 3.27Å
703	A	85	Confident	87.9	Confident	41 Å²	41	57.4 Å²	57.4	34%	0.339	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	3.7	176.7	0	0	0	0	0	114.3	R708 T717	A703-R708 PolarHBondContact O-NE 2.72Å; A703-R708 PolarHBondContact O-NH2 3.26Å; A703-T717 HydrophobicContact CB-CG2 4.04Å
704	S	84.3	Confident	87.4	Confident	80 Å²	80	62.8 Å²	62.8	56%	0.559	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-30.2	164.8	41.8	0	0	0	0	112.9	Y702 H706	Y702-S704 VanDerWaalsContact CB-OG 3.26Å; Y702-S704 WeakPolarHBondContact CB-OG 3.4Å; Y702-S704 PolarHBondContact O-N 2.8Å; S704-H706 PolarHBondContact O-N 3.49Å
705	N	84	Confident	87	Confident	61 Å²	61	67.6 Å²	67.6	33%	0.326	34%	0.337	S	S	.	.	S	Bend	trans	-89.2	10.9	-169.4	-60.8	40.5	0	0	0	112.4	Y702	Y702-N705 PolarHBondContact O-N 3.21Å
706	H	88.6	Confident	86.7	Confident	18 Å²	18	69.2 Å²	69.2	8%	0.083	34%	0.343	C	S	.	.	S	Bend	trans	-135.9	152.3	-169.9	-68.3	-61.3	0	0	0	110.8	E701 Y702 S704 T717 R719	E701-H706 WeakPolarHBondContact CB-NE2 3.47Å; E701-H706 IonicContact OE2-CE1 3.81Å; E701-H706 PolarHBondContact OE2-CE1 3.13Å; E701-H706 IonicContact OE2-NE2 3.38Å; E701-H706 PolarHBondContact OE2-NE2 2.9Å; Y702-H706 PolarHBondContact O-CD2 3.27Å; S704-H706 PolarHBondContact O-N 3.49Å; H706-T717 HydrophobicContact CB-CG2 3.55Å; H706-R719 HydrophobicContact CB-CG 4.49Å; H706-R719 VanDerWaalsContact NE2-CZ 3.35Å; H706-R719 PolarHBondContact NE2-NH1 3.15Å; H706-R719 VanDerWaalsContact NE2-NH1 3.2Å
707	Y	86.8	Confident	86.6	Confident	136 Å²	136	71 Å²	71	53%	0.533	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	138.2	179.3	-179.6	-111.7	0	0	0	111.1	L709 L718	Y707-L709 HydrophobicContact CD1-CB 4.41Å; Y707-L709 HydrophobicContact CE1-CB 3.86Å; Y707-L709 HydrophobicContact CE1-CD1 4.16Å; Y707-L709 HydrophobicContact CE1-CG 4.5Å; Y707-L718 HydrophobicContact CD1-CD1 4.26Å; Y707-L718 PolarHBondContact O-N 3.37Å
708	R	88.9	Confident	86.5	Confident	122 Å²	122	71 Å²	71	46%	0.46	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118	176.2	-63.2	-171.6	-170	171	7.9	110.1	A703 W716	A703-R708 PolarHBondContact O-NE 2.72Å; A703-R708 PolarHBondContact O-NH2 3.26Å; R708-W716 CarbonylContact C-O 3.59Å; R708-W716 WeakPolarHBondContact CA-O 3.34Å
709	L	86.4	Confident	86.5	Confident	28 Å²	28	71.3 Å²	71.3	15%	0.147	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.6	177.6	-176.1	59.5	0	0	0	109.1	A643 Y707 I711 W716 L718	A643-L709 HydrophobicContact CB-CD2 4.22Å; Y707-L709 HydrophobicContact CD1-CB 4.41Å; Y707-L709 HydrophobicContact CE1-CB 3.86Å; Y707-L709 HydrophobicContact CE1-CD1 4.16Å; Y707-L709 HydrophobicContact CE1-CG 4.5Å; L709-I711 HydrophobicContact CD2-CD1 3.9Å; L709-I711 HydrophobicContact CD2-CG1 4.06Å; L709-I711 HydrophobicContact CG-CD1 4.24Å; L709-I711 HydrophobicContact CG-CG1 3.88Å; L709-W716 PolarHBondContact N-O 3.13Å; L709-W716 PolarHBondContact O-N 3.02Å; L709-L718 HydrophobicContact CB-CD1 3.95Å; L709-L718 HydrophobicContact CB-CG 4.47Å; L709-L718 HydrophobicContact CD2-CD1 3.9Å
710	K	85.2	Confident	86.5	Confident	144 Å²	144	73.8 Å²	73.8	63%	0.626	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.4	170.8	-49.7	-150	-169.6	-154.2	0	109.2	H714 E715	K710-H714 WeakPolarHBondContact CA-O 3.26Å; K710-E715 HydrophobicContact CD-CG 4.06Å; K710-E715 WeakPolarHBondContact CE-OE1 3.43Å; K710-E715 HydrophobicContact CG-CG 4.14Å; K710-E715 IonicContact NZ-OE1 2.64Å; K710-E715 PolarHBondContact NZ-OE1 3.18Å
711	I	81.4	Confident	86.7	Confident	26 Å²	26	70.1 Å²	70.1	13%	0.133	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	103.2	177.4	-52.8	177.4	0	0	0	107.6	P610 F611 A643 L709 H714	P610-I711 HydrophobicContact CB-CG2 3.84Å; P610-I711 HydrophobicContact CG-CG2 3.94Å; F611-I711 HydrophobicContact CB-CD1 4.26Å; F611-I711 HydrophobicContact CD1-CD1 3.69Å; F611-I711 HydrophobicContact CG-CD1 4.36Å; A643-I711 HydrophobicContact CB-CD1 3.94Å; L709-I711 HydrophobicContact CD2-CD1 3.9Å; L709-I711 HydrophobicContact CD2-CG1 4.06Å; L709-I711 HydrophobicContact CG-CD1 4.24Å; L709-I711 HydrophobicContact CG-CG1 3.88Å; I711-H714 PolarHBondContact N-O 2.92Å; I711-H714 PolarHBondContact O-N 3.11Å
712	G	79	Confident	86.8	Confident	68 Å²	68	69.1 Å²	69.1	70%	0.701	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	-139.7	-162	0	0	0	0	0	110.4	H714	G712-H714 PolarHBondContact O-N 3.37Å
713	D	78.5	Confident	87.2	Confident	166 Å²	166	61.3 Å²	61.3	89%	0.888	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	1.3	-177.1	-48.6	-54.4	0	0	0	114.3
714	H	81.9	Confident	87.5	Confident	120 Å²	120	60.2 Å²	60.2	56%	0.556	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	131.2	-172.2	-65.2	71.2	0	0	0	112.2	K710 I711 G712 W716	K710-H714 WeakPolarHBondContact CA-O 3.26Å; I711-H714 PolarHBondContact N-O 2.92Å; I711-H714 PolarHBondContact O-N 3.11Å; G712-H714 PolarHBondContact O-N 3.37Å; H714-W716 HydrophobicContact CB-CZ2 4.34Å
715	E	87	Confident	87.7	Confident	101 Å²	101	56.7 Å²	56.7	47%	0.472	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127	170.1	-58.7	-162.9	176.8	0	0	111.2	K710	K710-E715 HydrophobicContact CD-CG 4.06Å; K710-E715 WeakPolarHBondContact CE-OE1 3.43Å; K710-E715 HydrophobicContact CG-CG 4.14Å; K710-E715 IonicContact NZ-OE1 2.64Å; K710-E715 PolarHBondContact NZ-OE1 3.18Å
716	W	88.1	Confident	87.6	Confident	34 Å²	34	57.3 Å²	57.3	13%	0.129	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.8	178	-60.8	92.7	0	0	0	110.3	L609 F611 I665 R708 L709 H714	L609-W716 HydrophobicContact CD1-CH2 3.81Å; L609-W716 HydrophobicContact CD1-CZ3 4.07Å; L609-W716 HydrophobicContact CD2-CH2 3.83Å; L609-W716 HydrophobicContact CD2-CZ2 4.14Å; L609-W716 HydrophobicContact CG-CH2 4.39Å; F611-W716 AromaticContact CE1-CD2 3.68Å; F611-W716 HydrophobicContact CE1-CD2 3.68Å; F611-W716 AromaticContact CE1-CE2 3.8Å; F611-W716 AromaticContact CE1-CE3 3.93Å; F611-W716 HydrophobicContact CE1-CE3 3.93Å; F611-W716 HydrophobicContact CE1-CG 4.11Å; F611-W716 HydrophobicContact CE1-CH2 4.36Å; F611-W716 HydrophobicContact CE1-CZ2 4.15Å; F611-W716 HydrophobicContact CE1-CZ3 4.26Å; F611-W716 HydrophobicContact CZ-CD2 4.17Å; F611-W716 AromaticContact CZ-CE3 3.95Å; F611-W716 HydrophobicContact CZ-CE3 3.95Å; F611-W716 HydrophobicContact CZ-CZ3 4.14Å; I665-W716 HydrophobicContact CD1-CD2 4.42Å; I665-W716 HydrophobicContact CD1-CE3 3.58Å; I665-W716 HydrophobicContact CD1-CZ3 4.21Å; R708-W716 CarbonylContact C-O 3.59Å; R708-W716 WeakPolarHBondContact CA-O 3.34Å; L709-W716 PolarHBondContact N-O 3.13Å; L709-W716 PolarHBondContact O-N 3.02Å; H714-W716 HydrophobicContact CB-CZ2 4.34Å
717	T	91.4	Very high	86.6	Confident	38 Å²	38	60.3 Å²	60.3	23%	0.233	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.4	177.3	-58	0	0	0	0	110.1	A703 H706	A703-T717 HydrophobicContact CB-CG2 4.04Å; H706-T717 HydrophobicContact CB-CG2 3.55Å
718	L	92.1	Very high	85.9	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.9	-176	-56.1	-179.2	0	0	0	110.9	L645 I665 I667 Y707 L709	L645-L718 HydrophobicContact CD1-CD1 3.85Å; L645-L718 HydrophobicContact CD1-CD2 4.45Å; L645-L718 HydrophobicContact CD2-CD1 3.92Å; L645-L718 HydrophobicContact CG-CD1 4.44Å; I665-L718 HydrophobicContact CB-CD2 4.12Å; I665-L718 HydrophobicContact CD1-CD2 4.36Å; I665-L718 HydrophobicContact CG2-CD2 3.65Å; I667-L718 HydrophobicContact CD1-CB 3.84Å; I667-L718 HydrophobicContact CD1-CD1 4.35Å; I667-L718 HydrophobicContact CG1-CB 4.32Å; Y707-L718 HydrophobicContact CD1-CD1 4.26Å; Y707-L718 PolarHBondContact O-N 3.37Å; L709-L718 HydrophobicContact CB-CD1 3.95Å; L709-L718 HydrophobicContact CB-CG 4.47Å; L709-L718 HydrophobicContact CD2-CD1 3.9Å
719	R	93.1	Very high	84.9	Confident	10 Å²	10	52.8 Å²	52.8	4%	0.038	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	105.6	-174	-54.6	-169.4	171.1	-130.5	-11	112.4	I665 L666 I667 W697 D698 L699 E701 H706	I665-R719 WeakPolarHBondContact O-CB 3.43Å; I665-R719 WeakPolarHBondContact O-CG 3.35Å; I665-R719 PolarHBondContact O-N 3.01Å; L666-R719 CarbonylContact C-O 3.5Å; L666-R719 VanDerWaalsContact CA-O 3.28Å; L666-R719 WeakPolarHBondContact CA-O 3.29Å; L666-R719 HydrophobicContact CD2-CB 3.89Å; L666-R719 HydrophobicContact CD2-CG 4.31Å; I667-R719 PolarHBondContact N-O 3.36Å; W697-R719 PolarHBondContact NE1-O 3.14Å; D698-R719 PolarHBondContact O-NH1 3.23Å; L699-R719 PolarHBondContact O-NH1 2.97Å; E701-R719 VanDerWaalsContact O-CZ 3.23Å; E701-R719 PolarHBondContact O-NH1 3.38Å; E701-R719 PolarHBondContact O-NH2 2.95Å; H706-R719 HydrophobicContact CB-CG 4.49Å; H706-R719 VanDerWaalsContact NE2-CZ 3.35Å; H706-R719 PolarHBondContact NE2-NH1 3.15Å; H706-R719 VanDerWaalsContact NE2-NH1 3.2Å
720	H	92	Very high	83.8	Confident	69 Å²	69	55.9 Å²	55.9	32%	0.319	32%	0.318	S	S	.	.			trans	-69.2	157.7	162.5	-63.1	-96.6	0	0	0	110.3	I667 W697 R804	I667-H720 WeakPolarHBondContact CD1-NE2 3.06Å; W697-H720 VanDerWaalsContact NE1-C 3.3Å; H720-R804 VanDerWaalsContact C-NH2 3.31Å; H720-R804 PolarHBondContact O-NH1 3.41Å; H720-R804 PolarHBondContact O-NH2 2.98Å
721	P	93.4	Very high	82.9	Confident	16 Å²	16	53 Å²	53	10%	0.104	33%	0.33	C	S	.	.			trans	-62.6	137	-174.8	23.2	-34.8	0	0	0	113.5	Y668 V695 L696 W697 F723 R804	Y668-P721 HydrophobicContact CD2-CG 3.91Å; Y668-P721 HydrophobicContact CE2-CG 4.1Å; V695-P721 HydrophobicContact CB-CB 4.17Å; L696-P721 CarbonylContact O-C 3.59Å; L696-P721 WeakPolarHBondContact O-CA 3.44Å; L696-P721 WeakPolarHBondContact O-CB 3.46Å; W697-P721 VanDerWaalsContact CD1-CA 3.47Å; W697-P721 HydrophobicContact CD2-CB 4.16Å; W697-P721 HydrophobicContact CG-CB 4.49Å; W697-P721 HydrophobicContact CZ2-CB 4.13Å; W697-P721 HydrophobicContact CZ2-CG 4.45Å; W697-P721 VanDerWaalsContact NE1-N 3.16Å; P721-F723 VanDerWaalsContact C-N 3.33Å; P721-R804 VanDerWaalsContact O-CZ 3.25Å; P721-R804 PolarHBondContact O-NH1 3.26Å; P721-R804 PolarHBondContact O-NH2 2.92Å
722	T	91.9	Very high	82.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	34%	0.338	C	S	.	.	S	Bend	trans	-61.1	-41.9	173.6	-58.9	0	0	0	0	111.4	L696 D698 E701 L803 R804	L696-T722 HydrophobicContact CD2-CG2 4.35Å; L696-T722 PolarHBondContact O-N 3.15Å; D698-T722 HydrophobicContact CB-CG2 4.37Å; D698-T722 PolarHBondContact N-OG1 3.29Å; E701-T722 WeakPolarHBondContact OE1-CB 3.22Å; E701-T722 WeakPolarHBondContact OE1-CG2 3.4Å; E701-T722 PolarHBondContact OE1-OG1 3.41Å; T722-L803 HydrophobicContact CG2-CD1 4.32Å; T722-R804 PolarHBondContact O-N 3.06Å
723	F	92	Very high	82.9	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.026	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140	175.4	-173.3	-88.1	0	0	0	111.2	L696 P721 T725 M729 G802 L803 K810 L811	L696-F723 HydrophobicContact CB-CB 4.2Å; L696-F723 PolarHBondContact N-O 3.43Å; L696-F723 PolarHBondContact O-N 3.16Å; L696-F723 VanDerWaalsContact O-N 3.13Å; P721-F723 VanDerWaalsContact C-N 3.33Å; F723-T725 HydrophobicContact CE1-CG2 4.02Å; F723-M729 HydrophobicContact CZ-SD 4.36Å; F723-G802 CarbonylContact C-O 3.56Å; F723-G802 VanDerWaalsContact CA-O 3.27Å; F723-G802 WeakPolarHBondContact CA-O 3.32Å; F723-L803 HydrophobicContact CB-CD1 4.49Å; F723-L803 HydrophobicContact CD2-CB 3.9Å; F723-L803 HydrophobicContact CD2-CD1 4.16Å; F723-L803 HydrophobicContact CE2-CB 4.35Å; F723-K810 HydrophobicContact CD2-CB 3.54Å; F723-K810 HydrophobicContact CE2-CB 3.64Å; F723-K810 HydrophobicContact CG-CB 4.26Å; F723-K810 HydrophobicContact CZ-CB 4.42Å; F723-L811 HydrophobicContact CD1-CB 3.94Å; F723-L811 HydrophobicContact CD1-CD1 4.17Å; F723-L811 HydrophobicContact CD1-CG 3.97Å; F723-L811 HydrophobicContact CE1-CB 3.71Å; F723-L811 HydrophobicContact CE1-CD1 4.45Å; F723-L811 HydrophobicContact CE1-CG 4.24Å; F723-L811 HydrophobicContact CZ-CB 4.49Å
724	S	91.5	Very high	83.4	Confident	19 Å²	19	44.1 Å²	44.1	13%	0.133	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.3	173.3	-172.7	0	0	0	0	110.8	V695 D726 G802	V695-S724 WeakPolarHBondContact CG1-OG 3.11Å; S724-D726 VanDerWaalsContact C-N 3.33Å; S724-D726 WeakPolarHBondContact OG-CB 3.26Å; S724-D726 PolarHBondContact OG-N 2.93Å; S724-D726 VanDerWaalsContact OG-N 3.12Å; S724-G802 PolarHBondContact N-O 3.02Å; S724-G802 VanDerWaalsContact O-CA 3.22Å; S724-G802 WeakPolarHBondContact O-CA 3.27Å
725	T	89.1	Confident	83.7	Confident	6 Å²	6	44.7 Å²	44.7	4%	0.037	29%	0.285	C	S	.	.			trans	-84.6	-10.9	168.8	52.1	0	0	0	0	112.9	V694 F723 M729 W784 L811	V694-T725 HydrophobicContact CB-CG2 4.41Å; V694-T725 PolarHBondContact N-OG1 3.22Å; V694-T725 PolarHBondContact O-N 2.8Å; V694-T725 VanDerWaalsContact O-N 3.1Å; V694-T725 PolarHBondContact O-OG1 3.03Å; F723-T725 HydrophobicContact CE1-CG2 4.02Å; T725-M729 HydrophobicContact CG2-SD 4.01Å; T725-M729 PolarHBondContact O-N 3.15Å; T725-M729 VanDerWaalsContact O-N 3.08Å; T725-W784 HydrophobicContact CG2-CE3 4.49Å; T725-W784 HydrophobicContact CG2-CH2 3.7Å; T725-W784 HydrophobicContact CG2-CZ2 4.28Å; T725-W784 HydrophobicContact CG2-CZ3 3.79Å; T725-L811 HydrophobicContact CG2-CD1 4.44Å
726	D	81.3	Confident	83.9	Confident	73 Å²	73	40.3 Å²	40.3	39%	0.39	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	137.3	-176.6	-168	15.6	0	0	0	112.8	Y668 S693 S724 V728	Y668-D726 PolarHBondContact OH-OD2 3.02Å; S693-D726 WeakPolarHBondContact OG-CB 3.49Å; S693-D726 PolarHBondContact OG-OD1 2.78Å; S724-D726 VanDerWaalsContact C-N 3.33Å; S724-D726 WeakPolarHBondContact OG-CB 3.26Å; S724-D726 PolarHBondContact OG-N 2.93Å; S724-D726 VanDerWaalsContact OG-N 3.12Å; D726-V728 PolarHBondContact O-N 3.33Å
727	A	68.1	Low	84.1	Confident	81 Å²	81	40.5 Å²	40.5	67%	0.669	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	-28.9	-170.8	0	0	0	0	0	117.6	S730	A727-S730 PolarHBondContact O-OG 2.65Å; A727-S730 VanDerWaalsContact O-OG 3.12Å
728	V	70.4	Confident	84.3	Confident	65 Å²	65	38.7 Å²	38.7	39%	0.394	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-35.6	-171.4	174.6	0	0	0	0	111.8	D726 L801	D726-V728 PolarHBondContact O-N 3.33Å; V728-L801 HydrophobicContact CB-CB 4.47Å; V728-L801 HydrophobicContact CG1-CB 3.91Å; V728-L801 HydrophobicContact CG2-CB 3.66Å
729	M	69.8	Low	84.4	Confident	36 Å²	36	40.3 Å²	40.3	18%	0.177	27%	0.27	C	S	.	.			trans	-110	29.7	-175.7	-58.3	-162.7	67.9	0	0	112.9	F723 T725 G731 S732 G733 W784 H813	F723-M729 HydrophobicContact CZ-SD 4.36Å; T725-M729 HydrophobicContact CG2-SD 4.01Å; T725-M729 PolarHBondContact O-N 3.15Å; T725-M729 VanDerWaalsContact O-N 3.08Å; M729-G731 PolarHBondContact O-N 3.28Å; M729-S732 PolarHBondContact O-N 3.28Å; M729-G733 PolarHBondContact O-N 2.97Å; M729-W784 HydrophobicContact CE-CH2 4.27Å; M729-W784 HydrophobicContact CE-CZ3 3.68Å; M729-W784 HydrophobicContact SD-CH2 4.31Å; M729-W784 HydrophobicContact SD-CZ3 3.74Å; M729-H813 HydrophobicContact CE-CB 3.93Å
730	S	62.3	Low	84.5	Confident	92 Å²	92	40.4 Å²	40.4	64%	0.643	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-5.9	-175.7	-55.4	0	0	0	0	116.6	A727	A727-S730 PolarHBondContact O-OG 2.65Å; A727-S730 VanDerWaalsContact O-OG 3.12Å
731	G	66.6	Low	84.6	Confident	85 Å²	85	37.4 Å²	37.4	88%	0.876	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-3	171.9	0	0	0	0	0	115.6	M729	M729-G731 PolarHBondContact O-N 3.28Å
732	S	77.6	Confident	84.6	Confident	41 Å²	41	38.2 Å²	38.2	29%	0.287	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.9	-5.4	-177.4	55	0	0	0	0	115.4	M729 N782 H813	M729-S732 PolarHBondContact O-N 3.28Å; S732-N782 PolarHBondContact O-ND2 3.02Å; S732-H813 PolarHBondContact O-CD2 3.27Å
733	G	82.3	Confident	84.6	Confident	16 Å²	16	39.2 Å²	39.2	17%	0.165	27%	0.267	C	S	.	.	S	Bend	trans	-78.4	-176	160.6	0	0	0	0	0	111.9	M729	M729-G733 PolarHBondContact O-N 2.97Å
734	H	89.4	Confident	84.4	Confident	15 Å²	15	39.2 Å²	39.2	7%	0.069	27%	0.268	C	S	.	.			trans	-82.1	148.2	173.5	-56.4	-69.5	0	0	0	110.8	G692 V738 S774 D776 I780 N782	G692-H734 WeakPolarHBondContact O-CB 3.42Å; H734-V738 HydrophobicContact CB-CG2 4.34Å; H734-S774 PolarHBondContact CE1-O 3Å; H734-S774 VanDerWaalsContact CE1-O 3.31Å; H734-S774 WeakPolarHBondContact NE2-CB 3.16Å; H734-S774 PolarHBondContact NE2-O 3.04Å; H734-S774 PolarHBondContact NE2-OG 3.01Å; H734-D776 HydrophobicContact CB-CB 3.95Å; H734-I780 PolarHBondContact CE1-O 3.05Å; H734-I780 VanDerWaalsContact CE1-O 3.25Å; H734-N782 VanDerWaalsContact CE1-CG 3.49Å; H734-N782 PolarHBondContact CE1-ND2 3.23Å; H734-N782 PolarHBondContact ND1-ND2 3.06Å
735	V	88.3	Confident	83.8	Confident	132 Å²	132	40.1 Å²	40.1	80%	0.8	27%	0.273	S	S	*	.	S	Bend	trans	-104.7	0.8	176.2	-170.1	0	0	0	0	110.6
736	S	90.8	Very high	82.8	Confident	10 Å²	10	44.3 Å²	44.3	7%	0.07	30%	0.303	C	S	.	.	S	Bend	trans	-136.9	159.4	-179.4	81.7	0	0	0	0	110.8	G692 V738 D776 E777 N778	G692-S736 WeakPolarHBondContact CA-O 3.34Å; S736-V738 PolarHBondContact O-N 3.04Å; S736-D776 WeakPolarHBondContact OG-CB 3.47Å; S736-D776 PolarHBondContact OG-OD2 2.97Å; S736-E777 VanDerWaalsContact OG-CG 3.29Å; S736-E777 WeakPolarHBondContact OG-CG 3.48Å; S736-N778 WeakPolarHBondContact CB-ND2 3.45Å; S736-N778 PolarHBondContact OG-ND2 2.71Å
737	P	93.6	Very high	81.5	Confident	38 Å²	38	48.1 Å²	48.1	25%	0.247	32%	0.316	C	S	.	.			trans	-44.9	129.7	-176	-29.6	29.1	0	0	0	114.3	Q690 T739 D776 E777	Q690-P737 WeakPolarHBondContact O-CG 3.44Å; P737-T739 PolarHBondContact O-N 3.4Å; P737-D776 CarbonylContact O-C 3.51Å; P737-D776 VanDerWaalsContact O-CA 3.29Å; P737-D776 WeakPolarHBondContact O-CA 3.34Å; P737-E777 HydrophobicContact CB-CG 4.47Å; P737-E777 HydrophobicContact CG-CG 4.37Å; P737-E777 PolarHBondContact O-N 2.98Å
738	V	95.1	Very high	80.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	102.5	177.8	-166.4	0	0	0	0	109.4	C674 T689 G692 V694 H734 S736 V741 L775	C674-V738 PolarHBondContact SG-O 2.89Å; C674-V738 VanDerWaalsContact SG-O 3.34Å; T689-V738 PolarHBondContact O-N 2.88Å; G692-V738 VanDerWaalsContact C-CG2 3.48Å; G692-V738 VanDerWaalsContact O-CG2 3.26Å; G692-V738 WeakPolarHBondContact O-CG2 3.47Å; V694-V738 HydrophobicContact CG2-CG1 4.4Å; V694-V738 HydrophobicContact CG2-CG2 4.3Å; H734-V738 HydrophobicContact CB-CG2 4.34Å; S736-V738 PolarHBondContact O-N 3.04Å; V738-V741 HydrophobicContact CG1-CG2 3.61Å; V738-L775 CarbonylContact C-O 3.54Å; V738-L775 WeakPolarHBondContact CA-O 3.34Å; V738-L775 WeakPolarHBondContact CG1-O 3.29Å
739	T	93.6	Very high	78.4	Confident	35 Å²	35	49.8 Å²	49.8	22%	0.215	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-28	-174.3	58.1	0	0	0	0	112.7	P737 L775 E777 T836	P737-T739 PolarHBondContact O-N 3.4Å; T739-L775 PolarHBondContact N-O 3.16Å; T739-L775 PolarHBondContact OG1-O 2.89Å; T739-E777 HydrophobicContact CG2-CB 3.94Å; T739-T836 WeakPolarHBondContact CG2-O 3.4Å; T739-T836 PolarHBondContact OG1-O 3.04Å
740	S	94.6	Very high	76.8	Confident	13 Å²	13	52.5 Å²	52.5	9%	0.091	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	142.6	173.7	-159.3	0	0	0	0	113.2	C674 S774 L775 L839	C674-S740 VanDerWaalsContact SG-C 3.56Å; C674-S740 VanDerWaalsContact SG-CA 3.53Å; S740-S774 CarbonylContact O-C 3.59Å; S740-S774 WeakPolarHBondContact O-CA 3.44Å; S740-L775 PolarHBondContact N-O 3.15Å; S740-L775 PolarHBondContact O-N 3.45Å; S740-L839 PolarHBondContact OG-N 2.7Å
741	V	95.1	Very high	75.5	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.03	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.1	170.8	173.7	0	0	0	0	107.2	C674 F686 V738 L772 A773	C674-V741 PolarHBondContact SG-N 3.39Å; C674-V741 VanDerWaalsContact SG-N 3.41Å; F686-V741 HydrophobicContact CB-CG1 3.95Å; V738-V741 HydrophobicContact CG1-CG2 3.61Å; V741-L772 HydrophobicContact CG1-CD1 3.84Å; V741-L772 HydrophobicContact CG1-CD2 4.06Å; V741-L772 HydrophobicContact CG1-CG 4.06Å; V741-A773 WeakPolarHBondContact CA-O 3.4Å
742	E	93.1	Very high	73.8	Confident	33 Å²	33	54.6 Å²	54.6	15%	0.154	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	144.3	-176.3	-169.9	164.8	-113.9	0	0	111	A773 K840 Y841	E742-A773 PolarHBondContact N-O 2.77Å; E742-A773 PolarHBondContact O-N 2.83Å; E742-K840 IonicContact OE1-NZ 2.97Å; E742-K840 PolarHBondContact OE1-NZ 3.38Å; E742-K840 WeakPolarHBondContact OE2-CA 3.38Å; E742-Y841 HydrophobicContact CG-CD2 4.4Å; E742-Y841 WeakPolarHBondContact OE2-CD2 3.46Å; E742-Y841 PolarHBondContact OE2-N 3.02Å
743	V	91.1	Very high	71.4	Confident	22 Å²	22	64.1 Å²	64.1	13%	0.133	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.4	173.1	172.1	0	0	0	0	109.1	F677 P679 P745 F770 L772	F677-V743 VanDerWaalsContact O-CG2 3.3Å; F677-V743 WeakPolarHBondContact O-CG2 3.44Å; P679-V743 HydrophobicContact CB-CG1 3.94Å; P679-V743 HydrophobicContact CG-CG1 3.68Å; V743-P745 WeakPolarHBondContact O-CD 3.48Å; V743-F770 HydrophobicContact CG1-CD2 3.94Å; V743-F770 HydrophobicContact CG1-CE2 4.27Å; V743-F770 HydrophobicContact CG2-CD2 4.43Å; V743-F770 HydrophobicContact CG2-CE2 3.97Å; V743-L772 HydrophobicContact CG2-CD1 3.98Å
744	V	88.4	Confident	69	Low	7 Å²	7	68.4 Å²	68.4	4%	0.042	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-68.1	122.9	169.5	-175.6	0	0	0	0	107.3	Q771 A773 F783 Y841	V744-Q771 HydrophobicContact CB-CB 3.86Å; V744-Q771 HydrophobicContact CG2-CB 3.87Å; V744-Q771 PolarHBondContact N-O 3.17Å; V744-A773 HydrophobicContact CG2-CB 3.92Å; V744-F783 HydrophobicContact CG2-CD1 4.31Å; V744-F783 HydrophobicContact CG2-CE1 4.36Å; V744-Y841 HydrophobicContact CG1-CD1 4.38Å; V744-Y841 HydrophobicContact CG1-CE1 4.11Å; V744-Y841 HydrophobicContact CG2-CE1 4.27Å; V744-Y841 HydrophobicContact CG2-CE2 4.17Å
745	P	80.2	Confident	66.4	Low	37 Å²	37	77.3 Å²	77.3	24%	0.24	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-55	143.7	175.7	-25.5	34.8	0	0	0	110.8	V743 S846	V743-P745 WeakPolarHBondContact O-CD 3.48Å; P745-S846 WeakPolarHBondContact O-CB 3.47Å
746	S	67.1	Low	63.9	Low	95 Å²	95	76 Å²	76	66%	0.664	44%	0.443	S	S	*	.			trans	-124.8	95	170.8	-171.8	0	0	0	0	108.8	V748	S746-V748 PolarHBondContact O-N 2.96Å; S746-V748 VanDerWaalsContact O-N 3.16Å
747	F	53.8	Low	61.1	Low	152 Å²	152	80 Å²	80	67%	0.667	48%	0.477	S	S	*	.			trans	-85.5	83.9	178.9	-169.2	-105.8	0	0	0	110	A749	F747-A749 VanDerWaalsContact C-N 3.29Å; F747-A749 HydrophobicContact CD1-CB 3.93Å; F747-A749 HydrophobicContact CE1-CB 3.61Å; F747-A749 PolarHBondContact O-N 2.81Å
748	V	42.6	Very low	58.6	Low	127 Å²	127	85.2 Å²	85.2	77%	0.77	50%	0.503	S	S	*	.			trans	-67.4	95.6	161.7	-177.5	0	0	0	0	107	S746 G750	S746-V748 PolarHBondContact O-N 2.96Å; S746-V748 VanDerWaalsContact O-N 3.16Å; V748-G750 PolarHBondContact O-N 3.28Å
749	A	32.2	Very low	55.8	Low	54 Å²	54	93.2 Å²	93.2	45%	0.446	54%	0.544	S	S	.	.			trans	-58.2	126.2	-177	0	0	0	0	0	110.7	F747 G751	F747-A749 VanDerWaalsContact C-N 3.29Å; F747-A749 HydrophobicContact CD1-CB 3.93Å; F747-A749 HydrophobicContact CE1-CB 3.61Å; F747-A749 PolarHBondContact O-N 2.81Å; A749-G751 PolarHBondContact O-N 2.78Å
750	G	36.1	Very low	53	Low	93 Å²	93	95.2 Å²	95.2	96%	0.959	56%	0.564	S	S	*	*	S	Bend	trans	-72.3	57.3	174	0	0	0	0	0	112.6	V748	V748-G750 PolarHBondContact O-N 3.28Å
751	G	34.8	Very low	50.2	Low	49 Å²	49	97.3 Å²	97.3	51%	0.505	58%	0.579	S	S	.	*	S	Bend	trans	178.6	132.4	-176.8	0	0	0	0	0	111.2	A749	A749-G751 PolarHBondContact O-N 2.78Å
752	L	29.9	Very low	47.6	Very low	173 Å²	173	105.6 Å²	105.6	91%	0.906	62%	0.617	S	S	*	*			trans	63.6	99.8	-172.1	-54.9	175.7	0	0	0	114.5
753	R	27.8	Very low	45	Very low	240 Å²	240	111.3 Å²	111.3	91%	0.906	64%	0.644	S	S	*	*			trans	-55.4	132	151	-83.3	179.7	161	-174.2	-8.1	108.1	E755	R753-E755 PolarHBondContact O-N 2.77Å
754	P	32.3	Very low	42.7	Very low	107 Å²	107	116.2 Å²	116.2	70%	0.695	67%	0.665	S	S	*	*			trans	-57.6	129.2	163	-22.1	33.6	0	0	0	109.3	V756	P754-V756 PolarHBondContact O-N 2.83Å
755	E	33	Very low	40.4	Very low	201 Å²	201	120.8 Å²	120.8	94%	0.939	70%	0.698	S	S	*	*	S	Bend	trans	-73.2	3.4	-176.9	-156	166.7	-154.5	0	0	113	R753	R753-E755 PolarHBondContact O-N 2.77Å
756	V	36	Very low	38.7	Very low	104 Å²	104	122.5 Å²	122.5	63%	0.63	71%	0.71	S	S	*	*			trans	-119.9	83.9	-179.6	-173.7	0	0	0	0	109.4	P754 L758	P754-V756 PolarHBondContact O-N 2.83Å; V756-L758 HydrophobicContact CG1-CB 4.23Å; V756-L758 HydrophobicContact CG1-CD1 4.3Å; V756-L758 HydrophobicContact CG1-CG 4.38Å; V756-L758 PolarHBondContact O-N 3.35Å
757	A	33.5	Very low	38	Very low	95 Å²	95	120.4 Å²	120.4	79%	0.785	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	48.9	-178.5	0	0	0	0	0	113.5
758	L	39.4	Very low	38.3	Very low	148 Å²	148	117.1 Å²	117.1	78%	0.775	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	-4.7	-174.5	-65.4	177.8	0	0	0	114.9	V756	V756-L758 HydrophobicContact CG1-CB 4.23Å; V756-L758 HydrophobicContact CG1-CD1 4.3Å; V756-L758 HydrophobicContact CG1-CG 4.38Å; V756-L758 PolarHBondContact O-N 3.35Å
759	L	37.9	Very low	39.8	Very low	168 Å²	168	113.7 Å²	113.7	88%	0.88	68%	0.675	S	S	*	*	S	Bend	trans	-136.1	-12.2	-176.6	-70.2	176.3	0	0	0	115.9
760	A	33.3	Very low	42.5	Very low	76 Å²	76	112.1 Å²	112.1	63%	0.628	66%	0.658	S	S	*	*	S	Bend	trans	-89.5	118.8	168.1	0	0	0	0	0	108.4
761	S	37.2	Very low	45.1	Very low	57 Å²	57	112 Å²	112	40%	0.399	63%	0.632	S	S	.	*			trans	-80.8	147.3	177	75.5	0	0	0	0	110.2	E763 E764	S761-E763 PolarHBondContact O-N 3.09Å; S761-E763 VanDerWaalsContact O-N 3.08Å; S761-E764 PolarHBondContact O-N 3.44Å; S761-E764 VanDerWaalsContact O-N 3.16Å
762	E	38.9	Very low	47.8	Very low	179 Å²	179	109.6 Å²	109.6	84%	0.836	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-18.6	180	-63.1	-172.2	131.1	0	0	112.5	S765	E762-S765 VanDerWaalsContact O-CB 3.22Å; E762-S765 WeakPolarHBondContact O-CB 3.47Å; E762-S765 PolarHBondContact O-N 2.8Å; E762-S765 PolarHBondContact O-OG 3.38Å
763	E	39.6	Very low	50.9	Low	154 Å²	154	101.4 Å²	101.4	72%	0.72	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-37	175.6	-61.1	-172.9	130.8	0	0	112.8	S761 S765 S766	S761-E763 PolarHBondContact O-N 3.09Å; S761-E763 VanDerWaalsContact O-N 3.08Å; E763-S765 PolarHBondContact O-N 2.88Å; E763-S766 VanDerWaalsContact O-CB 3.22Å; E763-S766 WeakPolarHBondContact O-CB 3.29Å; E763-S766 PolarHBondContact O-N 3.16Å; E763-S766 PolarHBondContact O-OG 2.84Å
764	E	42.8	Very low	54.1	Low	124 Å²	124	90 Å²	90	58%	0.579	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-61.4	-30	178.7	-64.9	-176.1	134.2	0	0	112	S761 S766 G767	S761-E764 PolarHBondContact O-N 3.44Å; S761-E764 VanDerWaalsContact O-N 3.16Å; E764-S766 PolarHBondContact O-N 3.37Å; E764-G767 PolarHBondContact O-N 3.12Å
765	S	39.3	Very low	57.1	Low	103 Å²	103	84.9 Å²	84.9	72%	0.72	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-58.8	-18	174.4	-26.7	0	0	0	0	114	E762 E763	E762-S765 VanDerWaalsContact O-CB 3.22Å; E762-S765 WeakPolarHBondContact O-CB 3.47Å; E762-S765 PolarHBondContact O-N 2.8Å; E762-S765 PolarHBondContact O-OG 3.38Å; E763-S765 PolarHBondContact O-N 2.88Å
766	S	45.5	Very low	60	Low	73 Å²	73	75.4 Å²	75.4	51%	0.51	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-80.1	-18.1	-173.6	-48.7	0	0	0	0	113.4	E763 E764 L768	E763-S766 VanDerWaalsContact O-CB 3.22Å; E763-S766 WeakPolarHBondContact O-CB 3.29Å; E763-S766 PolarHBondContact O-N 3.16Å; E763-S766 PolarHBondContact O-OG 2.84Å; E764-S766 PolarHBondContact O-N 3.37Å; S766-L768 PolarHBondContact O-N 3.08Å
767	G	52.5	Low	62.6	Low	52 Å²	52	73.1 Å²	73.1	54%	0.536	43%	0.427	S	S	.	.	S	Bend	trans	65.5	21	-174.6	0	0	0	0	0	114.5	E764	E764-G767 PolarHBondContact O-N 3.12Å
768	L	60	Low	65.3	Low	83 Å²	83	72.8 Å²	72.8	44%	0.435	41%	0.412	S	S	.	.			trans	-94.9	-15	-177	-59.9	179.6	0	0	0	113.6	S766 E788	S766-L768 PolarHBondContact O-N 3.08Å; L768-E788 HydrophobicContact CB-CB 4.46Å
769	S	74.4	Confident	67.6	Low	55 Å²	55	65.8 Å²	65.8	39%	0.385	38%	0.375	S	S	.	.			trans	-118.2	139.9	172.4	53.3	0	0	0	0	110.5	V786	S769-V786 VanDerWaalsContact CA-O 3.26Å; S769-V786 WeakPolarHBondContact CA-O 3.26Å; S769-V786 VanDerWaalsContact CB-O 3.3Å; S769-V786 WeakPolarHBondContact CB-O 3.3Å
770	F	87.6	Confident	70.2	Confident	21 Å²	21	60.5 Å²	60.5	9%	0.092	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	168.1	178.5	54	-90	0	0	0	109.8	P679 L684 F686 V743 V786	P679-F770 HydrophobicContact CG-CB 4.16Å; P679-F770 HydrophobicContact CG-CD1 3.77Å; P679-F770 HydrophobicContact CG-CD2 3.84Å; P679-F770 HydrophobicContact CG-CE1 4.06Å; P679-F770 HydrophobicContact CG-CE2 4.11Å; P679-F770 HydrophobicContact CG-CG 3.65Å; P679-F770 HydrophobicContact CG-CZ 4.21Å; L684-F770 HydrophobicContact CD1-CE1 4.33Å; L684-F770 HydrophobicContact CD1-CZ 4.15Å; F686-F770 AromaticContact CE2-CE2 3.82Å; F686-F770 HydrophobicContact CE2-CE2 3.82Å; F686-F770 AromaticContact CE2-CZ 3.75Å; F686-F770 HydrophobicContact CE2-CZ 3.75Å; F686-F770 AromaticContact CZ-CE2 3.68Å; F686-F770 HydrophobicContact CZ-CE2 3.68Å; F686-F770 AromaticContact CZ-CZ 3.51Å; F686-F770 HydrophobicContact CZ-CZ 3.51Å; V743-F770 HydrophobicContact CG1-CD2 3.94Å; V743-F770 HydrophobicContact CG1-CE2 4.27Å; V743-F770 HydrophobicContact CG2-CD2 4.43Å; V743-F770 HydrophobicContact CG2-CE2 3.97Å; F770-V786 HydrophobicContact CD1-CB 4.49Å; F770-V786 HydrophobicContact CD2-CB 4.4Å; F770-V786 HydrophobicContact CD2-CG2 3.9Å; F770-V786 HydrophobicContact CE1-CB 4.3Å; F770-V786 HydrophobicContact CE1-CG1 4.26Å; F770-V786 HydrophobicContact CE2-CB 4.21Å; F770-V786 HydrophobicContact CE2-CG2 3.57Å; F770-V786 HydrophobicContact CZ-CB 4.17Å; F770-V786 HydrophobicContact CZ-CG1 4.15Å; F770-V786 HydrophobicContact CZ-CG2 3.92Å; F770-V786 PolarHBondContact O-N 2.89Å
771	Q	90.5	Very high	73	Confident	89 Å²	89	56.9 Å²	56.9	42%	0.416	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	138.4	177.5	-69.9	-179.3	9.5	0	0	111.5	V744 W784 V785	V744-Q771 HydrophobicContact CB-CB 3.86Å; V744-Q771 HydrophobicContact CG2-CB 3.87Å; V744-Q771 PolarHBondContact N-O 3.17Å; Q771-W784 CarbonylContact C-O 3.59Å; Q771-W784 VanDerWaalsContact CA-O 3.31Å; Q771-W784 WeakPolarHBondContact CA-O 3.31Å; Q771-V785 HydrophobicContact CG-CG2 4.36Å
772	L	92.8	Very high	75.6	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.8	175.1	-178	82.5	0	0	0	108	F686 V694 V741 V743 W784 V786 L811	F686-L772 HydrophobicContact CB-CD1 4.11Å; F686-L772 HydrophobicContact CB-CD2 4.19Å; F686-L772 HydrophobicContact CD1-CD1 4.03Å; F686-L772 HydrophobicContact CD1-CD2 3.45Å; F686-L772 VanDerWaalsContact CD1-CD2 3.45Å; F686-L772 HydrophobicContact CD1-CG 4.35Å; F686-L772 HydrophobicContact CD2-CD1 3.87Å; F686-L772 HydrophobicContact CE1-CD1 4.43Å; F686-L772 HydrophobicContact CE1-CD2 3.99Å; F686-L772 HydrophobicContact CE2-CD1 4.32Å; F686-L772 HydrophobicContact CG-CD1 3.72Å; F686-L772 HydrophobicContact CG-CD2 3.89Å; F686-L772 HydrophobicContact CG-CG 4.47Å; V694-L772 HydrophobicContact CG1-CD2 4.25Å; V741-L772 HydrophobicContact CG1-CD1 3.84Å; V741-L772 HydrophobicContact CG1-CD2 4.06Å; V741-L772 HydrophobicContact CG1-CG 4.06Å; V743-L772 HydrophobicContact CG2-CD1 3.98Å; L772-W784 HydrophobicContact CB-CB 4.33Å; L772-W784 PolarHBondContact N-O 2.72Å; L772-W784 PolarHBondContact O-N 2.86Å; L772-V786 HydrophobicContact CB-CG2 4.12Å; L772-L811 HydrophobicContact CD2-CD1 4.45Å; L772-L811 HydrophobicContact CD2-CD2 4.06Å
773	A	94.3	Very high	78.2	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	148	174.6	0	0	0	0	0	110.6	V741 E742 V744 L781 L839 Y841	V741-A773 WeakPolarHBondContact CA-O 3.4Å; E742-A773 PolarHBondContact N-O 2.77Å; E742-A773 PolarHBondContact O-N 2.83Å; V744-A773 HydrophobicContact CG2-CB 3.92Å; A773-L781 HydrophobicContact CB-CD1 4.21Å; A773-L839 HydrophobicContact CB-CD2 3.8Å; A773-Y841 HydrophobicContact CB-CE2 3.56Å; A773-Y841 WeakPolarHBondContact CB-OH 3.49Å
774	S	95.2	Very high	80.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	132.3	177.3	58.8	0	0	0	0	110.1	H734 S740 L781 N782 W784	H734-S774 PolarHBondContact CE1-O 3Å; H734-S774 VanDerWaalsContact CE1-O 3.31Å; H734-S774 WeakPolarHBondContact NE2-CB 3.16Å; H734-S774 PolarHBondContact NE2-O 3.04Å; H734-S774 PolarHBondContact NE2-OG 3.01Å; S740-S774 CarbonylContact O-C 3.59Å; S740-S774 WeakPolarHBondContact O-CA 3.44Å; S774-L781 CarbonylContact O-C 3.49Å; S774-L781 WeakPolarHBondContact O-CA 3.16Å; S774-N782 PolarHBondContact N-O 2.89Å; S774-N782 PolarHBondContact O-N 2.88Å; S774-N782 PolarHBondContact OG-O 3.16Å; S774-W784 PolarHBondContact OG-NE1 3.16Å
775	L	95.1	Very high	83	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.2	-174.6	-179.6	62.6	0	0	0	109.4	V738 T739 S740 I780 L781 L839 I851	V738-L775 CarbonylContact C-O 3.54Å; V738-L775 WeakPolarHBondContact CA-O 3.34Å; V738-L775 WeakPolarHBondContact CG1-O 3.29Å; T739-L775 PolarHBondContact N-O 3.16Å; T739-L775 PolarHBondContact OG1-O 2.89Å; S740-L775 PolarHBondContact N-O 3.15Å; S740-L775 PolarHBondContact O-N 3.45Å; L775-I780 WeakPolarHBondContact CA-O 3.41Å; L775-L781 HydrophobicContact CB-CD1 4.24Å; L775-L781 HydrophobicContact CD1-CB 4.35Å; L775-L781 HydrophobicContact CD1-CD1 4.5Å; L775-L839 HydrophobicContact CB-CB 4.33Å; L775-L839 HydrophobicContact CB-CD2 4.39Å; L775-L839 HydrophobicContact CD2-CB 3.91Å; L775-L839 HydrophobicContact CD2-CD1 4.43Å; L775-I851 HydrophobicContact CD1-CD1 4.11Å; L775-I851 HydrophobicContact CD2-CD1 3.93Å; L775-I851 HydrophobicContact CD2-CG1 3.91Å; L775-I851 HydrophobicContact CD2-CG2 3.93Å
776	D	93.2	Very high	85.5	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	172.7	171.5	83.2	-9.7	0	0	0	112.7	H734 S736 P737 N778 G779 I780 T836	H734-D776 HydrophobicContact CB-CB 3.95Å; S736-D776 WeakPolarHBondContact OG-CB 3.47Å; S736-D776 PolarHBondContact OG-OD2 2.97Å; P737-D776 CarbonylContact O-C 3.51Å; P737-D776 VanDerWaalsContact O-CA 3.29Å; P737-D776 WeakPolarHBondContact O-CA 3.34Å; D776-N778 PolarHBondContact O-N 2.78Å; D776-N778 WeakPolarHBondContact OD1-CA 3.3Å; D776-N778 PolarHBondContact OD1-N 3.4Å; D776-G779 PolarHBondContact O-N 2.93Å; D776-G779 PolarHBondContact OD1-N 2.82Å; D776-I780 PolarHBondContact N-O 3.37Å; D776-I780 VanDerWaalsContact N-O 3.16Å; D776-I780 WeakPolarHBondContact OD1-CB 3.35Å; D776-I780 PolarHBondContact OD1-N 3.29Å; D776-T836 PolarHBondContact O-OG1 3.4Å
777	E	91.9	Very high	87.5	Confident	56 Å²	56	28.4 Å²	28.4	26%	0.262	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.4	178.4	56.2	153.8	-166.5	0	0	113.9	S736 P737 T739 Q835 T836	S736-E777 VanDerWaalsContact OG-CG 3.29Å; S736-E777 WeakPolarHBondContact OG-CG 3.48Å; P737-E777 HydrophobicContact CB-CG 4.47Å; P737-E777 HydrophobicContact CG-CG 4.37Å; P737-E777 PolarHBondContact O-N 2.98Å; T739-E777 HydrophobicContact CG2-CB 3.94Å; E777-Q835 VanDerWaalsContact O-CA 3.27Å; E777-Q835 WeakPolarHBondContact O-CA 3.37Å; E777-Q835 PolarHBondContact OE2-NE2 2.91Å; E777-Q835 VanDerWaalsContact OE2-NE2 3.15Å; E777-T836 PolarHBondContact O-N 2.83Å; E777-T836 PolarHBondContact O-OG1 2.91Å
778	N	89.6	Confident	89.2	Confident	88 Å²	88	28.5 Å²	28.5	47%	0.471	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-1.8	-179.5	-75	-84.2	0	0	0	113	S736 D776 V820	S736-N778 WeakPolarHBondContact CB-ND2 3.45Å; S736-N778 PolarHBondContact OG-ND2 2.71Å; D776-N778 PolarHBondContact O-N 2.78Å; D776-N778 WeakPolarHBondContact OD1-CA 3.3Å; D776-N778 PolarHBondContact OD1-N 3.4Å; N778-V820 WeakPolarHBondContact O-CG2 3.21Å
779	G	88.2	Confident	90.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.			trans	81.4	25.4	176.6	0	0	0	0	0	114.4	D776 T819 T836	D776-G779 PolarHBondContact O-N 2.93Å; D776-G779 PolarHBondContact OD1-N 2.82Å; G779-T819 WeakPolarHBondContact CA-OG1 3.34Å; G779-T819 WeakPolarHBondContact O-CB 3.27Å; G779-T819 WeakPolarHBondContact O-CG2 3.21Å; G779-T819 PolarHBondContact O-N 3.4Å; G779-T819 PolarHBondContact O-OG1 3.33Å; G779-T836 WeakPolarHBondContact CA-OG1 3.46Å; G779-T836 PolarHBondContact N-OG1 2.82Å
780	I	91.4	Very high	90.6	Very high	58 Å²	58	30 Å²	30	30%	0.297	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.6	166.1	-56.2	179.9	0	0	0	107.9	H734 L775 D776 N782 S816 L818	H734-I780 PolarHBondContact CE1-O 3.05Å; H734-I780 VanDerWaalsContact CE1-O 3.25Å; L775-I780 WeakPolarHBondContact CA-O 3.41Å; D776-I780 PolarHBondContact N-O 3.37Å; D776-I780 VanDerWaalsContact N-O 3.16Å; D776-I780 WeakPolarHBondContact OD1-CB 3.35Å; D776-I780 PolarHBondContact OD1-N 3.29Å; I780-N782 WeakPolarHBondContact CG2-OD1 3.33Å; I780-S816 WeakPolarHBondContact CG2-OG 3.27Å; I780-L818 HydrophobicContact CG1-CD1 4.42Å
781	L	92.9	Very high	90.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	106	175.4	-178.7	66	0	0	0	109.1	A773 S774 L775 F783 S816 L817 T819 L839 F849	A773-L781 HydrophobicContact CB-CD1 4.21Å; S774-L781 CarbonylContact O-C 3.49Å; S774-L781 WeakPolarHBondContact O-CA 3.16Å; L775-L781 HydrophobicContact CB-CD1 4.24Å; L775-L781 HydrophobicContact CD1-CB 4.35Å; L775-L781 HydrophobicContact CD1-CD1 4.5Å; L781-F783 HydrophobicContact CD2-CE2 3.81Å; L781-F783 HydrophobicContact CD2-CZ 3.72Å; L781-F783 HydrophobicContact CG-CE2 3.89Å; L781-F783 HydrophobicContact CG-CZ 4.15Å; L781-S816 WeakPolarHBondContact O-CA 3.22Å; L781-L817 HydrophobicContact CB-CB 4.44Å; L781-L817 WeakPolarHBondContact CB-O 3.21Å; L781-L817 PolarHBondContact N-O 3.31Å; L781-L817 PolarHBondContact O-N 3.17Å; L781-T819 HydrophobicContact CB-CG2 3.82Å; L781-T819 HydrophobicContact CD2-CG2 4.42Å; L781-L839 HydrophobicContact CD1-CD1 4.18Å; L781-L839 HydrophobicContact CD1-CD2 3.61Å; L781-F849 HydrophobicContact CD2-CD1 3.95Å; L781-F849 HydrophobicContact CD2-CD2 4.35Å; L781-F849 HydrophobicContact CD2-CE1 3.55Å; L781-F849 HydrophobicContact CD2-CE2 4.02Å; L781-F849 HydrophobicContact CD2-CG 4.33Å; L781-F849 HydrophobicContact CD2-CZ 3.6Å
782	N	92.9	Very high	89.5	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.1	178.1	-71.7	-19	0	0	0	110.7	S732 H734 S774 I780 W784 S816	S732-N782 PolarHBondContact O-ND2 3.02Å; H734-N782 VanDerWaalsContact CE1-CG 3.49Å; H734-N782 PolarHBondContact CE1-ND2 3.23Å; H734-N782 PolarHBondContact ND1-ND2 3.06Å; S774-N782 PolarHBondContact N-O 2.89Å; S774-N782 PolarHBondContact O-N 2.88Å; S774-N782 PolarHBondContact OG-O 3.16Å; I780-N782 WeakPolarHBondContact CG2-OD1 3.33Å; N782-W784 HydrophobicContact CB-CZ2 4.28Å; N782-S816 WeakPolarHBondContact OD1-CB 3.4Å; N782-S816 PolarHBondContact OD1-OG 3.34Å
783	F	92.2	Very high	88.9	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.6	175.5	-66.4	-95.5	0	0	0	110.1	V744 L781 S814 S815 L817 Y841	V744-F783 HydrophobicContact CG2-CD1 4.31Å; V744-F783 HydrophobicContact CG2-CE1 4.36Å; L781-F783 HydrophobicContact CD2-CE2 3.81Å; L781-F783 HydrophobicContact CD2-CZ 3.72Å; L781-F783 HydrophobicContact CG-CE2 3.89Å; L781-F783 HydrophobicContact CG-CZ 4.15Å; F783-S814 WeakPolarHBondContact O-CB 3.4Å; F783-S814 PolarHBondContact O-N 3.38Å; F783-S815 WeakPolarHBondContact CD2-OG 3.26Å; F783-S815 PolarHBondContact N-O 2.9Å; F783-S815 PolarHBondContact O-N 3.36Å; F783-L817 HydrophobicContact CE2-CB 4.32Å; F783-Y841 VanDerWaalsContact CE1-OH 3.23Å; F783-Y841 WeakPolarHBondContact CE1-OH 3.28Å
784	W	91.9	Very high	88.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.2	178	-50.7	85.6	0	0	0	109.8	T725 M729 Q771 L772 S774 N782 L811 L812 H813	T725-W784 HydrophobicContact CG2-CE3 4.49Å; T725-W784 HydrophobicContact CG2-CH2 3.7Å; T725-W784 HydrophobicContact CG2-CZ2 4.28Å; T725-W784 HydrophobicContact CG2-CZ3 3.79Å; M729-W784 HydrophobicContact CE-CH2 4.27Å; M729-W784 HydrophobicContact CE-CZ3 3.68Å; M729-W784 HydrophobicContact SD-CH2 4.31Å; M729-W784 HydrophobicContact SD-CZ3 3.74Å; Q771-W784 CarbonylContact C-O 3.59Å; Q771-W784 VanDerWaalsContact CA-O 3.31Å; Q771-W784 WeakPolarHBondContact CA-O 3.31Å; L772-W784 HydrophobicContact CB-CB 4.33Å; L772-W784 PolarHBondContact N-O 2.72Å; L772-W784 PolarHBondContact O-N 2.86Å; S774-W784 PolarHBondContact OG-NE1 3.16Å; N782-W784 HydrophobicContact CB-CZ2 4.28Å; W784-L811 HydrophobicContact CB-CB 4.45Å; W784-L811 HydrophobicContact CB-CD2 4.24Å; W784-L811 HydrophobicContact CD2-CB 4.46Å; W784-L811 HydrophobicContact CE3-CB 3.92Å; W784-L812 CarbonylContact C-O 3.58Å; W784-L812 VanDerWaalsContact CA-O 3.26Å; W784-L812 WeakPolarHBondContact CA-O 3.44Å; W784-H813 HydrophobicContact CE3-CB 3.91Å; W784-H813 HydrophobicContact CH2-CB 4.23Å; W784-H813 HydrophobicContact CZ3-CB 3.64Å
785	V	91.7	Very high	87.4	Confident	42 Å²	42	50.1 Å²	50.1	26%	0.255	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.8	163.5	-178.2	0	0	0	0	108	Q771 V787 L812	Q771-V785 HydrophobicContact CG-CG2 4.36Å; V785-V787 HydrophobicContact CG1-CG2 3.87Å; V785-L812 PolarHBondContact N-O 2.92Å; V785-L812 PolarHBondContact O-N 3.19Å
786	V	91.1	Very high	86.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.7	170.1	-172.2	0	0	0	0	107.9	L684 F686 L696 S769 F770 L772 V809 L811	L684-V786 HydrophobicContact CD1-CG1 3.92Å; F686-V786 HydrophobicContact CE1-CG1 4.31Å; F686-V786 HydrophobicContact CE1-CG2 3.75Å; F686-V786 HydrophobicContact CZ-CG1 4.17Å; F686-V786 HydrophobicContact CZ-CG2 3.79Å; L696-V786 HydrophobicContact CD1-CG1 4.43Å; S769-V786 VanDerWaalsContact CA-O 3.26Å; S769-V786 WeakPolarHBondContact CA-O 3.26Å; S769-V786 VanDerWaalsContact CB-O 3.3Å; S769-V786 WeakPolarHBondContact CB-O 3.3Å; F770-V786 HydrophobicContact CD1-CB 4.49Å; F770-V786 HydrophobicContact CD2-CB 4.4Å; F770-V786 HydrophobicContact CD2-CG2 3.9Å; F770-V786 HydrophobicContact CE1-CB 4.3Å; F770-V786 HydrophobicContact CE1-CG1 4.26Å; F770-V786 HydrophobicContact CE2-CB 4.21Å; F770-V786 HydrophobicContact CE2-CG2 3.57Å; F770-V786 HydrophobicContact CZ-CB 4.17Å; F770-V786 HydrophobicContact CZ-CG1 4.15Å; F770-V786 HydrophobicContact CZ-CG2 3.92Å; F770-V786 PolarHBondContact O-N 2.89Å; L772-V786 HydrophobicContact CB-CG2 4.12Å; V786-V809 HydrophobicContact CG1-CG1 3.52Å; V786-L811 HydrophobicContact CG2-CD2 3.84Å
787	V	88.6	Confident	86	Confident	41 Å²	41	51.8 Å²	51.8	25%	0.248	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.4	-179.4	-178.7	0	0	0	0	110.2	V785 V809 K810 L812	V785-V787 HydrophobicContact CG1-CG2 3.87Å; V787-V809 WeakPolarHBondContact O-CA 3.29Å; V787-K810 PolarHBondContact N-O 3.19Å; V787-K810 PolarHBondContact O-N 2.93Å; V787-L812 HydrophobicContact CG2-CD1 3.78Å; V787-L812 HydrophobicContact CG2-CG 4.22Å
788	E	86.9	Confident	85.1	Confident	55 Å²	55	54.5 Å²	54.5	26%	0.257	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.9	169	-174.8	161.8	169.9	0	0	111.3	R700 L768 R808 V809	R700-E788 IonicContact CZ-OE1 3.51Å; R700-E788 IonicContact CZ-OE2 3.42Å; R700-E788 IonicContact NH1-OE1 2.73Å; R700-E788 PolarHBondContact NH1-OE1 3.17Å; R700-E788 IonicContact NH1-OE2 2.71Å; R700-E788 PolarHBondContact NH1-OE2 3.08Å; R700-E788 IonicContact NH2-OE1 2.95Å; R700-E788 PolarHBondContact NH2-OE1 2.96Å; R700-E788 IonicContact NH2-OE2 2.75Å; R700-E788 PolarHBondContact NH2-OE2 3.29Å; L768-E788 HydrophobicContact CB-CB 4.46Å; E788-R808 CarbonylContact C-O 3.57Å; E788-R808 WeakPolarHBondContact CA-O 3.44Å; E788-V809 HydrophobicContact CB-CG2 4.37Å; E788-V809 HydrophobicContact CG-CG2 4.31Å
789	L	84.9	Confident	84.6	Confident	40 Å²	40	55.9 Å²	55.9	21%	0.209	32%	0.318	C	S	.	.			trans	-89.8	136	176.6	-60.2	174.1	0	0	0	109.5	R791 L803 R808	L789-R791 PolarHBondContact O-N 3.49Å; L789-R791 VanDerWaalsContact O-N 3.08Å; L789-L803 HydrophobicContact CD1-CD2 3.73Å; L789-R808 WeakPolarHBondContact CB-O 3.36Å; L789-R808 WeakPolarHBondContact CG-O 3.48Å; L789-R808 PolarHBondContact N-O 2.7Å
790	P	79.2	Confident	84.3	Confident	129 Å²	129	57.5 Å²	57.5	84%	0.838	33%	0.327	S	S	*	.	S	Bend	trans	-64	-20.6	-176.7	25.6	-35.1	0	0	0	113.4
791	R	77.6	Confident	83.7	Confident	214 Å²	214	60.7 Å²	60.7	81%	0.808	34%	0.344	S	S	*	.	S	Bend	trans	-144.1	137.7	170.8	-62.1	-174.4	-178.2	179.7	0.9	109.4	L789	L789-R791 PolarHBondContact O-N 3.49Å; L789-R791 VanDerWaalsContact O-N 3.08Å
792	G	77.2	Confident	83.3	Confident	17 Å²	17	61.2 Å²	61.2	18%	0.175	35%	0.349	C	S	.	.			trans	-76.5	147.7	167.4	0	0	0	0	0	110.3	G807	G792-G807 WeakPolarHBondContact CA-O 3.49Å
793	N	80.7	Confident	83	Confident	81 Å²	81	61.7 Å²	61.7	43%	0.433	35%	0.352	S	S	.	.			trans	-98.8	104.9	176.8	-175.5	-0.8	0	0	0	110	A795 G796 P805 G806	N793-A795 PolarHBondContact O-N 2.88Å; N793-A795 VanDerWaalsContact O-N 3.12Å; N793-A795 PolarHBondContact OD1-N 3.33Å; N793-A795 VanDerWaalsContact OD1-N 3.08Å; N793-G796 PolarHBondContact ND2-O 3.06Å; N793-G796 PolarHBondContact O-N 3.05Å; N793-P805 CarbonylContact O-C 3.58Å; N793-P805 WeakPolarHBondContact O-CA 3.47Å; N793-G806 PolarHBondContact O-N 3.45Å
794	E	81.3	Confident	82.8	Confident	131 Å²	131	64.7 Å²	64.7	61%	0.612	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-16	-179.7	-55.8	-58.8	155.6	0	0	113.7	G806	E794-G806 WeakPolarHBondContact OE2-CA 3.42Å
795	A	77.3	Confident	82.6	Confident	90 Å²	90	68 Å²	68	74%	0.744	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-3.7	172.3	0	0	0	0	0	113.9	N793	N793-A795 PolarHBondContact O-N 2.88Å; N793-A795 VanDerWaalsContact O-N 3.12Å; N793-A795 PolarHBondContact OD1-N 3.33Å; N793-A795 VanDerWaalsContact OD1-N 3.08Å
796	G	78.9	Confident	82.2	Confident	15 Å²	15	66.3 Å²	66.3	16%	0.155	38%	0.375	C	S	.	.			trans	83.8	154.7	-170.6	0	0	0	0	0	113.4	N793	N793-G796 PolarHBondContact ND2-O 3.06Å; N793-G796 PolarHBondContact O-N 3.05Å
797	S	79.9	Confident	82.1	Confident	23 Å²	23	66.3 Å²	66.3	16%	0.161	38%	0.376	C	S	.	.			trans	-87.1	121.8	174.5	-174.5	0	0	0	0	109.9	T799 D800	S797-T799 PolarHBondContact O-N 3.48Å; S797-T799 PolarHBondContact OG-OG1 3.13Å; S797-D800 WeakPolarHBondContact OG-CB 3.43Å; S797-D800 PolarHBondContact OG-N 3.25Å; S797-D800 PolarHBondContact OG-OD2 2.81Å
798	P	73.8	Confident	82.1	Confident	113 Å²	113	69.6 Å²	69.6	73%	0.734	38%	0.383	S	S	*	.	S	Bend	trans	-72.2	-14.6	176	30.8	-35.3	0	0	0	112.6
799	T	79	Confident	82.2	Confident	116 Å²	116	67 Å²	67	71%	0.712	37%	0.371	S	S	*	.	S	Bend	trans	-100.5	-38.5	177	49.2	0	0	0	0	112.5	S797 L801	S797-T799 PolarHBondContact O-N 3.48Å; S797-T799 PolarHBondContact OG-OG1 3.13Å; T799-L801 PolarHBondContact O-N 3.4Å
800	D	81.2	Confident	82.4	Confident	34 Å²	34	66.6 Å²	66.6	18%	0.182	37%	0.368	C	S	.	.			trans	-96.8	67.3	179.5	-49.8	-75.4	0	0	0	110.2	S797 G802 L803 K810	S797-D800 WeakPolarHBondContact OG-CB 3.43Å; S797-D800 PolarHBondContact OG-N 3.25Å; S797-D800 PolarHBondContact OG-OD2 2.81Å; D800-G802 PolarHBondContact O-N 3.34Å; D800-L803 HydrophobicContact CB-CB 4.05Å; D800-L803 WeakPolarHBondContact O-CB 3.22Å; D800-L803 PolarHBondContact O-N 2.68Å; D800-K810 HydrophobicContact CB-CD 4.35Å; D800-K810 WeakPolarHBondContact OD1-CD 3.3Å; D800-K810 IonicContact OD1-NZ 3.81Å; D800-K810 PolarHBondContact OD1-NZ 2.9Å; D800-K810 IonicContact OD2-NZ 2.85Å; D800-K810 PolarHBondContact OD2-NZ 3.41Å
801	L	79.3	Confident	83	Confident	125 Å²	125	60.5 Å²	60.5	65%	0.654	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-19.4	-175.3	-62.5	175.9	0	0	0	114.2	V728 T799 L803	V728-L801 HydrophobicContact CB-CB 4.47Å; V728-L801 HydrophobicContact CG1-CB 3.91Å; V728-L801 HydrophobicContact CG2-CB 3.66Å; T799-L801 PolarHBondContact O-N 3.4Å; L801-L803 VanDerWaalsContact C-N 3.35Å
802	G	82.9	Confident	83.5	Confident	11 Å²	11	53.9 Å²	53.9	11%	0.113	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.9	175.1	0	0	0	0	0	114.8	F723 S724 D800	F723-G802 CarbonylContact C-O 3.56Å; F723-G802 VanDerWaalsContact CA-O 3.27Å; F723-G802 WeakPolarHBondContact CA-O 3.32Å; S724-G802 PolarHBondContact N-O 3.02Å; S724-G802 VanDerWaalsContact O-CA 3.22Å; S724-G802 WeakPolarHBondContact O-CA 3.27Å; D800-G802 PolarHBondContact O-N 3.34Å
803	L	88.4	Confident	84.2	Confident	15 Å²	15	56 Å²	56	8%	0.079	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-94.2	126.6	-176.8	-175.6	65.6	0	0	0	111.2	T722 F723 L789 D800 L801 V809 K810	T722-L803 HydrophobicContact CG2-CD1 4.32Å; F723-L803 HydrophobicContact CB-CD1 4.49Å; F723-L803 HydrophobicContact CD2-CB 3.9Å; F723-L803 HydrophobicContact CD2-CD1 4.16Å; F723-L803 HydrophobicContact CE2-CB 4.35Å; L789-L803 HydrophobicContact CD1-CD2 3.73Å; D800-L803 HydrophobicContact CB-CB 4.05Å; D800-L803 WeakPolarHBondContact O-CB 3.22Å; D800-L803 PolarHBondContact O-N 2.68Å; L801-L803 VanDerWaalsContact C-N 3.35Å; L803-V809 WeakPolarHBondContact CD1-O 3.45Å; L803-K810 HydrophobicContact CD1-CB 4.48Å
804	R	87.8	Confident	84.6	Confident	66 Å²	66	55.5 Å²	55.5	25%	0.249	32%	0.316	C	S	.	.			trans	-61.6	142.4	172.8	-173.6	-173.3	-78.5	95.9	37.1	110.7	H720 P721 T722 G806 G807	H720-R804 VanDerWaalsContact C-NH2 3.31Å; H720-R804 PolarHBondContact O-NH1 3.41Å; H720-R804 PolarHBondContact O-NH2 2.98Å; P721-R804 VanDerWaalsContact O-CZ 3.25Å; P721-R804 PolarHBondContact O-NH1 3.26Å; P721-R804 PolarHBondContact O-NH2 2.92Å; T722-R804 PolarHBondContact O-N 3.06Å; R804-G806 PolarHBondContact O-N 2.9Å; R804-G807 WeakPolarHBondContact O-CA 3.45Å; R804-G807 PolarHBondContact O-N 2.64Å
805	P	86.3	Confident	84.9	Confident	70 Å²	70	51.7 Å²	51.7	46%	0.455	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.3	132.7	158.5	-29.8	34.4	0	0	0	113.9	N793 G807	N793-P805 CarbonylContact O-C 3.58Å; N793-P805 WeakPolarHBondContact O-CA 3.47Å; P805-G807 PolarHBondContact O-N 3.17Å; P805-G807 VanDerWaalsContact O-N 3.15Å
806	G	84.4	Confident	85.5	Confident	6 Å²	6	50.7 Å²	50.7	6%	0.062	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	-14.5	-174.6	0	0	0	0	0	115.1	N793 E794 R804	N793-G806 PolarHBondContact O-N 3.45Å; E794-G806 WeakPolarHBondContact OE2-CA 3.42Å; R804-G806 PolarHBondContact O-N 2.9Å
807	G	87.9	Confident	86	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.01	29%	0.292	C	S	.	.			trans	-62.2	145.3	177.3	0	0	0	0	0	112.6	G792 R804 P805	G792-G807 WeakPolarHBondContact CA-O 3.49Å; R804-G807 WeakPolarHBondContact O-CA 3.45Å; R804-G807 PolarHBondContact O-N 2.64Å; P805-G807 PolarHBondContact O-N 3.17Å; P805-G807 VanDerWaalsContact O-N 3.15Å
808	R	88.6	Confident	86.3	Confident	109 Å²	109	55.5 Å²	55.5	41%	0.411	31%	0.311	S	S	.	.			trans	-115.9	-18.1	-174.5	-60.3	-170.7	-174.2	-169.7	1	115	E788 L789	E788-R808 CarbonylContact C-O 3.57Å; E788-R808 WeakPolarHBondContact CA-O 3.44Å; L789-R808 WeakPolarHBondContact CB-O 3.36Å; L789-R808 WeakPolarHBondContact CG-O 3.48Å; L789-R808 PolarHBondContact N-O 2.7Å
809	V	90.2	Very high	86.6	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130	-174.4	-172.2	0	0	0	0	109.9	L684 L696 V786 V787 E788 L803	L684-V809 HydrophobicContact CD1-CG1 3.99Å; L684-V809 HydrophobicContact CD2-CG2 4.03Å; L696-V809 HydrophobicContact CD1-CB 4.44Å; L696-V809 HydrophobicContact CD1-CG1 3.74Å; L696-V809 HydrophobicContact CD2-CB 4.04Å; L696-V809 HydrophobicContact CD2-CG1 4.12Å; V786-V809 HydrophobicContact CG1-CG1 3.52Å; V787-V809 WeakPolarHBondContact O-CA 3.29Å; E788-V809 HydrophobicContact CB-CG2 4.37Å; E788-V809 HydrophobicContact CG-CG2 4.31Å; L803-V809 WeakPolarHBondContact CD1-O 3.45Å
810	K	89.5	Confident	86.1	Confident	31 Å²	31	46.6 Å²	46.6	14%	0.135	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	156.9	176.1	65.2	179.2	-177.5	-179.9	0	112.4	F723 V787 D800 L803 L812	F723-K810 HydrophobicContact CD2-CB 3.54Å; F723-K810 HydrophobicContact CE2-CB 3.64Å; F723-K810 HydrophobicContact CG-CB 4.26Å; F723-K810 HydrophobicContact CZ-CB 4.42Å; V787-K810 PolarHBondContact N-O 3.19Å; V787-K810 PolarHBondContact O-N 2.93Å; D800-K810 HydrophobicContact CB-CD 4.35Å; D800-K810 WeakPolarHBondContact OD1-CD 3.3Å; D800-K810 IonicContact OD1-NZ 3.81Å; D800-K810 PolarHBondContact OD1-NZ 2.9Å; D800-K810 IonicContact OD2-NZ 2.85Å; D800-K810 PolarHBondContact OD2-NZ 3.41Å; L803-K810 HydrophobicContact CD1-CB 4.48Å; K810-L812 HydrophobicContact CD-CD2 4.37Å
811	L	90.2	Very high	85	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.3	171.4	-61.8	175.8	0	0	0	109.4	F686 V694 L696 F723 T725 L772 W784 V786	F686-L811 HydrophobicContact CD1-CD2 4.42Å; F686-L811 HydrophobicContact CE1-CD2 4.06Å; V694-L811 HydrophobicContact CG1-CD1 3.88Å; L696-L811 HydrophobicContact CD1-CD2 3.82Å; L696-L811 HydrophobicContact CD1-CG 3.95Å; F723-L811 HydrophobicContact CD1-CB 3.94Å; F723-L811 HydrophobicContact CD1-CD1 4.17Å; F723-L811 HydrophobicContact CD1-CG 3.97Å; F723-L811 HydrophobicContact CE1-CB 3.71Å; F723-L811 HydrophobicContact CE1-CD1 4.45Å; F723-L811 HydrophobicContact CE1-CG 4.24Å; F723-L811 HydrophobicContact CZ-CB 4.49Å; T725-L811 HydrophobicContact CG2-CD1 4.44Å; L772-L811 HydrophobicContact CD2-CD1 4.45Å; L772-L811 HydrophobicContact CD2-CD2 4.06Å; W784-L811 HydrophobicContact CB-CB 4.45Å; W784-L811 HydrophobicContact CB-CD2 4.24Å; W784-L811 HydrophobicContact CD2-CB 4.46Å; W784-L811 HydrophobicContact CE3-CB 3.92Å; V786-L811 HydrophobicContact CG2-CD2 3.84Å
812	L	89.7	Confident	83.7	Confident	75 Å²	75	52.7 Å²	52.7	39%	0.393	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.9	169.8	-61.9	-178.3	0	0	0	109.1	W784 V785 V787 K810 S814	W784-L812 CarbonylContact C-O 3.58Å; W784-L812 VanDerWaalsContact CA-O 3.26Å; W784-L812 WeakPolarHBondContact CA-O 3.44Å; V785-L812 PolarHBondContact N-O 2.92Å; V785-L812 PolarHBondContact O-N 3.19Å; V787-L812 HydrophobicContact CG2-CD1 3.78Å; V787-L812 HydrophobicContact CG2-CG 4.22Å; K810-L812 HydrophobicContact CD-CD2 4.37Å; L812-S814 PolarHBondContact O-N 3.46Å
813	H	90.1	Very high	81.9	Confident	62 Å²	62	56.4 Å²	56.4	29%	0.287	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	122.4	173.9	175.4	-78.4	0	0	0	109.9	M729 S732 W784	M729-H813 HydrophobicContact CE-CB 3.93Å; S732-H813 PolarHBondContact O-CD2 3.27Å; W784-H813 HydrophobicContact CE3-CB 3.91Å; W784-H813 HydrophobicContact CH2-CB 4.23Å; W784-H813 HydrophobicContact CZ3-CB 3.64Å
814	S	89.5	Confident	80	Confident	69 Å²	69	61.7 Å²	61.7	48%	0.483	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-55.8	-179.7	-175.6	0	0	0	0	111.8	F783 L812	F783-S814 WeakPolarHBondContact O-CB 3.4Å; F783-S814 PolarHBondContact O-N 3.38Å; L812-S814 PolarHBondContact O-N 3.46Å
815	S	88.8	Confident	78.2	Confident	51 Å²	51	60.4 Å²	60.4	36%	0.357	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	160.1	-176.7	64.8	0	0	0	0	111.9	F783	F783-S815 WeakPolarHBondContact CD2-OG 3.26Å; F783-S815 PolarHBondContact N-O 2.9Å; F783-S815 PolarHBondContact O-N 3.36Å
816	S	89.6	Confident	76.4	Confident	69 Å²	69	65.1 Å²	65.1	48%	0.483	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.2	177.8	-174	0	0	0	0	109.7	I780 L781 N782	I780-S816 WeakPolarHBondContact CG2-OG 3.27Å; L781-S816 WeakPolarHBondContact O-CA 3.22Å; N782-S816 WeakPolarHBondContact OD1-CB 3.4Å; N782-S816 PolarHBondContact OD1-OG 3.34Å
817	L	88.1	Confident	74.6	Confident	31 Å²	31	70.9 Å²	70.9	16%	0.162	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	118	-177.1	-175.8	152.9	0	0	0	110.1	L781 F783 T819 F849	L781-L817 HydrophobicContact CB-CB 4.44Å; L781-L817 WeakPolarHBondContact CB-O 3.21Å; L781-L817 PolarHBondContact N-O 3.31Å; L781-L817 PolarHBondContact O-N 3.17Å; F783-L817 HydrophobicContact CE2-CB 4.32Å; L817-T819 HydrophobicContact CD2-CG2 3.66Å; L817-T819 PolarHBondContact O-N 2.89Å; L817-F849 HydrophobicContact CD2-CZ 4Å
818	L	87.4	Confident	72.6	Confident	108 Å²	108	71.9 Å²	71.9	57%	0.565	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	113.4	172.9	-179.7	63.9	0	0	0	110.1	I780 V820	I780-L818 HydrophobicContact CG1-CD1 4.42Å; L818-V820 HydrophobicContact CD1-CB 4.45Å
819	T	80.1	Confident	70.6	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.006	37%	0.369	C	S	.	.			trans	-82	-28.3	-175.7	66.2	0	0	0	0	112.4	G779 L781 L817 Q821 F849 I851 R859	G779-T819 WeakPolarHBondContact CA-OG1 3.34Å; G779-T819 WeakPolarHBondContact O-CB 3.27Å; G779-T819 WeakPolarHBondContact O-CG2 3.21Å; G779-T819 PolarHBondContact O-N 3.4Å; G779-T819 PolarHBondContact O-OG1 3.33Å; L781-T819 HydrophobicContact CB-CG2 3.82Å; L781-T819 HydrophobicContact CD2-CG2 4.42Å; L817-T819 HydrophobicContact CD2-CG2 3.66Å; L817-T819 PolarHBondContact O-N 2.89Å; T819-Q821 PolarHBondContact O-N 3.16Å; T819-F849 HydrophobicContact CG2-CE2 4.27Å; T819-F849 HydrophobicContact CG2-CZ 4.38Å; T819-I851 HydrophobicContact CG2-CD1 3.53Å; T819-R859 PolarHBondContact O-NE 2.83Å; T819-R859 PolarHBondContact O-NH2 3.21Å
820	V	68.2	Low	68.8	Low	41 Å²	41	76.7 Å²	76.7	25%	0.248	40%	0.4	C	S	.	.			trans	-74.1	115.5	-176.7	-174.8	0	0	0	0	111.7	N778 L818 L825	N778-V820 WeakPolarHBondContact O-CG2 3.21Å; L818-V820 HydrophobicContact CD1-CB 4.45Å; V820-L825 HydrophobicContact CG1-CD1 3.94Å
821	Q	59.1	Low	67.2	Low	76 Å²	76	80.6 Å²	80.6	36%	0.355	43%	0.426	S	S	.	.			trans	-97.4	114.4	173.7	-74.4	-173	12.8	0	0	112	T819 P823	T819-Q821 PolarHBondContact O-N 3.16Å; Q821-P823 WeakPolarHBondContact O-CD 3.4Å
822	R	51.3	Low	66.1	Low	212 Å²	212	84.8 Å²	84.8	80%	0.8	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.3	-179.6	-64	178.9	178.4	164.3	-0.2	118.3
823	P	45	Very low	65.3	Low	88 Å²	88	85.8 Å²	85.8	57%	0.571	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-43	-170.6	-26.1	36.7	0	0	0	117	Q821	Q821-P823 WeakPolarHBondContact O-CD 3.4Å
824	L	48.7	Very low	64.8	Low	127 Å²	127	84.3 Å²	84.3	67%	0.665	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-77	-22.2	-174.1	-88.6	74.9	0	0	0	113.2	K826 F872	L824-K826 PolarHBondContact O-N 3.1Å; L824-F872 HydrophobicContact CD2-CE2 4.27Å
825	L	50.4	Low	64.8	Low	38 Å²	38	83.5 Å²	83.5	20%	0.199	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-73.1	4.8	-170.4	-65.5	172.8	0	0	0	115.1	V820 E827 A829 S834 L855	V820-L825 HydrophobicContact CG1-CD1 3.94Å; L825-E827 VanDerWaalsContact C-N 3.32Å; L825-E827 PolarHBondContact O-N 3.17Å; L825-A829 HydrophobicContact CB-CB 4.44Å; L825-A829 WeakPolarHBondContact O-CB 3.32Å; L825-A829 PolarHBondContact O-N 2.86Å; L825-S834 VanDerWaalsContact CD1-OG 3.32Å; L825-S834 WeakPolarHBondContact CD1-OG 3.38Å; L825-S834 WeakPolarHBondContact CD2-OG 3.28Å; L825-L855 HydrophobicContact CD2-CD1 3.64Å
826	K	48	Very low	64.9	Low	169 Å²	169	81.3 Å²	81.3	74%	0.735	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-68.2	-26.4	-174.4	-71.7	-175.3	174.3	-176.8	0	114.6	L824	L824-K826 PolarHBondContact O-N 3.1Å
827	E	45.8	Very low	65.1	Low	128 Å²	128	80.4 Å²	80.4	60%	0.598	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-53.9	174.2	-122.3	56.6	-108.2	0	0	111	L825 A829 K830	L825-E827 VanDerWaalsContact C-N 3.32Å; L825-E827 PolarHBondContact O-N 3.17Å; E827-A829 PolarHBondContact O-N 3.02Å; E827-K830 WeakPolarHBondContact O-CD 3.39Å; E827-K830 WeakPolarHBondContact O-CG 3.48Å; E827-K830 IonicContact OE1-NZ 3.64Å; E827-K830 PolarHBondContact OE1-NZ 3.35Å
828	A	46	Very low	65.3	Low	22 Å²	22	79.9 Å²	79.9	18%	0.182	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-71.7	-26.8	-172.9	0	0	0	0	0	115.5	K830 T831	A828-K830 PolarHBondContact O-N 3.37Å; A828-T831 PolarHBondContact O-N 3.25Å; A828-T831 PolarHBondContact O-OG1 3.15Å
829	A	46.2	Very low	65.7	Low	62 Å²	62	74.7 Å²	74.7	51%	0.512	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-69.9	10.1	-177.7	0	0	0	0	0	115	L825 E827	L825-A829 HydrophobicContact CB-CB 4.44Å; L825-A829 WeakPolarHBondContact O-CB 3.32Å; L825-A829 PolarHBondContact O-N 2.86Å; E827-A829 PolarHBondContact O-N 3.02Å
830	K	52.7	Low	66.4	Low	149 Å²	149	77.2 Å²	77.2	65%	0.648	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-82.9	-14.4	174.8	-63.4	170.1	-164.4	160	0	113.1	E827 A828	E827-K830 WeakPolarHBondContact O-CD 3.39Å; E827-K830 WeakPolarHBondContact O-CG 3.48Å; E827-K830 IonicContact OE1-NZ 3.64Å; E827-K830 PolarHBondContact OE1-NZ 3.35Å; A828-K830 PolarHBondContact O-N 3.37Å
831	T	56.7	Low	67.6	Low	113 Å²	113	75.8 Å²	75.8	69%	0.693	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.5	-40.8	-173.3	51.5	0	0	0	0	114.9	A828	A828-T831 PolarHBondContact O-N 3.25Å; A828-T831 PolarHBondContact O-OG1 3.15Å
832	R	66.1	Low	69.1	Low	89 Å²	89	73 Å²	73	34%	0.336	37%	0.371	S	S	.	.			trans	-147.2	141.6	177.5	-165.7	176	176.8	-175.1	-7.1	110.9	N854 D884	R832-N854 PolarHBondContact NE-ND2 2.82Å; R832-D884 IonicContact CZ-OD1 2.78Å; R832-D884 IonicContact CZ-OD2 2.65Å; R832-D884 IonicContact NH1-OD1 3.4Å; R832-D884 PolarHBondContact NH1-OD1 3.38Å; R832-D884 IonicContact NH1-OD2 3.66Å; R832-D884 PolarHBondContact NH1-OD2 3.07Å; R832-D884 IonicContact NH2-OD1 2.71Å; R832-D884 IonicContact NH2-OD2 3.27Å; R832-D884 PolarHBondContact NH2-OD2 3.05Å
833	P	74.6	Confident	70.8	Confident	96 Å²	96	66 Å²	66	62%	0.623	35%	0.353	S	S	*	.			trans	-65.2	143.6	169.6	28.4	-35.3	0	0	0	110.4	Q835 N854	P833-Q835 PolarHBondContact O-N 3.24Å; P833-N854 PolarHBondContact O-ND2 2.85Å
834	S	79.1	Confident	72.8	Confident	32 Å²	32	65.8 Å²	65.8	22%	0.224	35%	0.349	C	S	.	.			trans	-70.8	125.5	178.8	-46.9	0	0	0	0	111	L825 N854	L825-S834 VanDerWaalsContact CD1-OG 3.32Å; L825-S834 WeakPolarHBondContact CD1-OG 3.38Å; L825-S834 WeakPolarHBondContact CD2-OG 3.28Å; S834-N854 WeakPolarHBondContact CA-OD1 3.19Å
835	Q	88.3	Confident	74.6	Confident	52 Å²	52	62.3 Å²	62.3	24%	0.243	33%	0.331	C	S	.	.			trans	-126.2	147.6	177.5	-63.6	172.2	-73.5	0	0	110.5	E777 P833 T853 N854	E777-Q835 VanDerWaalsContact O-CA 3.27Å; E777-Q835 WeakPolarHBondContact O-CA 3.37Å; E777-Q835 PolarHBondContact OE2-NE2 2.91Å; E777-Q835 VanDerWaalsContact OE2-NE2 3.15Å; P833-Q835 PolarHBondContact O-N 3.24Å; Q835-T853 WeakPolarHBondContact O-CA 3.34Å; Q835-N854 HydrophobicContact CB-CB 4.44Å; Q835-N854 WeakPolarHBondContact CB-ND2 3.49Å; Q835-N854 VanDerWaalsContact N-CG 3.31Å; Q835-N854 PolarHBondContact N-ND2 2.91Å; Q835-N854 PolarHBondContact N-OD1 3.12Å; Q835-N854 PolarHBondContact O-N 3.41Å; Q835-N854 VanDerWaalsContact O-N 3.12Å; Q835-N854 PolarHBondContact O-OD1 2.89Å; Q835-N854 PolarHBondContact OE1-ND2 3.4Å
836	T	92.3	Very high	76.2	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116.9	179.7	39.7	0	0	0	0	111	T739 D776 E777 G779 I851 T853	T739-T836 WeakPolarHBondContact CG2-O 3.4Å; T739-T836 PolarHBondContact OG1-O 3.04Å; D776-T836 PolarHBondContact O-OG1 3.4Å; E777-T836 PolarHBondContact O-N 2.83Å; E777-T836 PolarHBondContact O-OG1 2.91Å; G779-T836 WeakPolarHBondContact CA-OG1 3.46Å; G779-T836 PolarHBondContact N-OG1 2.82Å; T836-I851 HydrophobicContact CG2-CG2 3.51Å; T836-T853 HydrophobicContact CG2-CG2 4.45Å
837	L	92.3	Very high	78.1	Confident	49 Å²	49	56.9 Å²	56.9	26%	0.257	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-31.9	-165	-59.8	177.4	0	0	0	113.5	G852 N854 D884 I885	L837-G852 PolarHBondContact N-O 2.59Å; L837-N854 HydrophobicContact CD1-CB 4.17Å; L837-N854 HydrophobicContact CG-CB 4.49Å; L837-D884 HydrophobicContact CD1-CB 3.75Å; L837-I885 WeakPolarHBondContact CD1-O 3.48Å
838	L	93.7	Very high	80.3	Confident	20 Å²	20	53.1 Å²	53.1	11%	0.105	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	161.1	177	68.9	155.5	0	0	0	113.1	I851 G852 I885 I888	L838-I851 VanDerWaalsContact O-CA 3.3Å; L838-I851 WeakPolarHBondContact O-CA 3.5Å; L838-G852 PolarHBondContact O-N 2.93Å; L838-I885 HydrophobicContact CD2-CB 4.43Å; L838-I885 HydrophobicContact CD2-CG2 3.98Å; L838-I885 VanDerWaalsContact CD2-O 3.24Å; L838-I885 WeakPolarHBondContact CD2-O 3.46Å; L838-I888 HydrophobicContact CD1-CB 3.83Å; L838-I888 HydrophobicContact CD1-CD1 4.06Å; L838-I888 HydrophobicContact CD1-CG1 3.88Å; L838-I888 HydrophobicContact CD2-CD1 4.37Å; L838-I888 HydrophobicContact CG-CD1 4.16Å; L838-I888 HydrophobicContact CG-CG1 4.46Å
839	L	94.9	Very high	82.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.6	174.6	-175.2	64.8	0	0	0	110	S740 A773 L775 L781 Y841 F849 F850 I851	S740-L839 PolarHBondContact OG-N 2.7Å; A773-L839 HydrophobicContact CB-CD2 3.8Å; L775-L839 HydrophobicContact CB-CB 4.33Å; L775-L839 HydrophobicContact CB-CD2 4.39Å; L775-L839 HydrophobicContact CD2-CB 3.91Å; L775-L839 HydrophobicContact CD2-CD1 4.43Å; L781-L839 HydrophobicContact CD1-CD1 4.18Å; L781-L839 HydrophobicContact CD1-CD2 3.61Å; L839-Y841 HydrophobicContact CD1-CE2 4.5Å; L839-Y841 HydrophobicContact CD2-CE2 3.87Å; L839-Y841 HydrophobicContact CG-CE2 4.19Å; L839-F849 HydrophobicContact CD1-CB 4.11Å; L839-F849 HydrophobicContact CD1-CD2 4.18Å; L839-F849 HydrophobicContact CD1-CG 4.36Å; L839-F850 CarbonylContact C-O 3.55Å; L839-I851 HydrophobicContact CD1-CD1 4.05Å; L839-I851 HydrophobicContact CD1-CG1 3.61Å
840	K	94.5	Very high	84.9	Confident	54 Å²	54	49.3 Å²	49.3	24%	0.235	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	130.2	166	-73	-67.8	136.4	-154.8	0	111.1	E742 F849 F850 I888 F890	E742-K840 IonicContact OE1-NZ 2.97Å; E742-K840 PolarHBondContact OE1-NZ 3.38Å; E742-K840 WeakPolarHBondContact OE2-CA 3.38Å; K840-F849 CarbonylContact O-C 3.54Å; K840-F849 WeakPolarHBondContact O-CA 3.4Å; K840-F850 HydrophobicContact CB-CB 4.42Å; K840-F850 PolarHBondContact N-O 2.65Å; K840-F850 WeakPolarHBondContact O-CB 3.22Å; K840-F850 PolarHBondContact O-N 3.46Å; K840-I888 HydrophobicContact CB-CG2 4.25Å; K840-I888 HydrophobicContact CG-CB 3.91Å; K840-I888 HydrophobicContact CG-CG2 3.91Å; K840-F890 HydrophobicContact CB-CD2 4.35Å; K840-F890 HydrophobicContact CB-CE2 3.93Å
841	Y	93.3	Very high	86.8	Confident	10 Å²	10	42.2 Å²	42.2	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	153.1	165.7	-79.5	-91.6	0	0	0	112.3	E742 V744 A773 F783 L839 S846 F849 F890	E742-Y841 HydrophobicContact CG-CD2 4.4Å; E742-Y841 WeakPolarHBondContact OE2-CD2 3.46Å; E742-Y841 PolarHBondContact OE2-N 3.02Å; V744-Y841 HydrophobicContact CG1-CD1 4.38Å; V744-Y841 HydrophobicContact CG1-CE1 4.11Å; V744-Y841 HydrophobicContact CG2-CE1 4.27Å; V744-Y841 HydrophobicContact CG2-CE2 4.17Å; A773-Y841 HydrophobicContact CB-CE2 3.56Å; A773-Y841 WeakPolarHBondContact CB-OH 3.49Å; F783-Y841 VanDerWaalsContact CE1-OH 3.23Å; F783-Y841 WeakPolarHBondContact CE1-OH 3.28Å; L839-Y841 HydrophobicContact CD1-CE2 4.5Å; L839-Y841 HydrophobicContact CD2-CE2 3.87Å; L839-Y841 HydrophobicContact CG-CE2 4.19Å; Y841-S846 WeakPolarHBondContact CD1-O 3.43Å; Y841-S846 WeakPolarHBondContact CE1-O 3.37Å; Y841-F849 HydrophobicContact CD1-CB 4.06Å; Y841-F849 HydrophobicContact CE1-CB 3.81Å; Y841-F849 HydrophobicContact CE1-CD1 4.42Å; Y841-F849 HydrophobicContact CE2-CB 4.45Å; Y841-F849 HydrophobicContact CG-CB 4.47Å; Y841-F890 WeakPolarHBondContact O-CE2 3.44Å
842	H	91.8	Very high	88.6	Confident	19 Å²	19	36.8 Å²	36.8	9%	0.088	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.2	169.1	-176.9	-119	0	0	0	110	T844 D845 H848 F850 F890 P895	H842-T844 PolarHBondContact O-N 2.92Å; H842-D845 HydrophobicContact CB-CB 4.44Å; H842-D845 WeakPolarHBondContact ND1-CB 3.36Å; H842-D845 PolarHBondContact ND1-N 2.95Å; H842-D845 PolarHBondContact O-N 3.22Å; H842-H848 HydrophobicContact CB-CB 3.99Å; H842-H848 PolarHBondContact N-O 3.38Å; H842-F850 HydrophobicContact CB-CE2 4.09Å; H842-F890 AromaticContact CD2-CE1 3.95Å; H842-P895 PolarHBondContact CD2-O 3.07Å; H842-P895 PolarHBondContact NE2-O 2.89Å
843	P	86.9	Confident	89.8	Confident	65 Å²	65	33.5 Å²	33.5	42%	0.422	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-26.7	-173.2	-26.9	34	0	0	0	115.3	F890 P895	P843-F890 HydrophobicContact CG-CB 3.55Å; P843-F890 HydrophobicContact CG-CD1 4.24Å; P843-F890 HydrophobicContact CG-CD2 4.31Å; P843-F890 HydrophobicContact CG-CG 3.78Å; P843-P895 HydrophobicContact CB-CB 4.17Å; P843-P895 HydrophobicContact CB-CG 4.32Å; P843-P895 HydrophobicContact CG-CB 4.19Å
844	T	86.2	Confident	90.6	Very high	82 Å²	82	28.9 Å²	28.9	50%	0.503	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-15.4	-175.8	-40.3	0	0	0	0	113.4	H842 P895	H842-T844 PolarHBondContact O-N 2.92Å; T844-P895 WeakPolarHBondContact OG1-CB 3.1Å; T844-P895 WeakPolarHBondContact OG1-CG 3.13Å
845	D	86.6	Confident	90.9	Very high	54 Å²	54	28.4 Å²	28.4	29%	0.289	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	106.8	-175.7	-167.2	-25.3	0	0	0	111.1	H842 N847 H848	H842-D845 HydrophobicContact CB-CB 4.44Å; H842-D845 WeakPolarHBondContact ND1-CB 3.36Å; H842-D845 PolarHBondContact ND1-N 2.95Å; H842-D845 PolarHBondContact O-N 3.22Å; D845-N847 PolarHBondContact O-N 3.17Å; D845-N847 VanDerWaalsContact O-N 3.15Å; D845-N847 VanDerWaalsContact OD1-CB 3.26Å; D845-N847 WeakPolarHBondContact OD1-CB 3.31Å; D845-N847 PolarHBondContact OD1-N 3.25Å; D845-N847 PolarHBondContact OD1-ND2 2.79Å; D845-H848 PolarHBondContact O-N 3.5Å; D845-H848 IonicContact OD1-CD2 3.15Å; D845-H848 IonicContact OD2-CD2 2.8Å; D845-H848 PolarHBondContact OD2-CD2 2.95Å
846	S	84.9	Confident	90.9	Very high	38 Å²	38	26.4 Å²	26.4	27%	0.266	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	-19.8	179.8	60.2	0	0	0	0	114.4	P745 Y841	P745-S846 WeakPolarHBondContact O-CB 3.47Å; Y841-S846 WeakPolarHBondContact CD1-O 3.43Å; Y841-S846 WeakPolarHBondContact CE1-O 3.37Å
847	N	88.1	Confident	90.8	Very high	55 Å²	55	28.5 Å²	28.5	29%	0.294	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-28.5	-179.2	-56.2	-72.9	0	0	0	111.9	D845 T862 S863 H864	D845-N847 PolarHBondContact O-N 3.17Å; D845-N847 VanDerWaalsContact O-N 3.15Å; D845-N847 VanDerWaalsContact OD1-CB 3.26Å; D845-N847 WeakPolarHBondContact OD1-CB 3.31Å; D845-N847 PolarHBondContact OD1-N 3.25Å; D845-N847 PolarHBondContact OD1-ND2 2.79Å; N847-T862 CarbonylContact O-C 3.58Å; N847-T862 WeakPolarHBondContact O-CA 3.33Å; N847-T862 WeakPolarHBondContact O-CB 3.44Å; N847-S863 WeakPolarHBondContact CA-OG 3.3Å; N847-S863 PolarHBondContact O-N 3.16Å; N847-S863 PolarHBondContact OD1-OG 3.27Å; N847-H864 PolarHBondContact OD1-NE2 2.93Å
848	H	91.5	Very high	90.8	Very high	50 Å²	50	26.2 Å²	26.2	23%	0.231	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.2	-170.5	-78.7	-100.3	0	0	0	112.1	H842 D845 F850 H860	H842-H848 HydrophobicContact CB-CB 3.99Å; H842-H848 PolarHBondContact N-O 3.38Å; D845-H848 PolarHBondContact O-N 3.5Å; D845-H848 IonicContact OD1-CD2 3.15Å; D845-H848 IonicContact OD2-CD2 2.8Å; D845-H848 PolarHBondContact OD2-CD2 2.95Å; H848-F850 HydrophobicContact CB-CE2 4.29Å; H848-H860 AromaticContact CE1-NE2 3.86Å; H848-H860 AromaticContact CG-NE2 3.88Å; H848-H860 AromaticContact ND1-CD2 3.89Å; H848-H860 AromaticContact ND1-CE1 3.66Å; H848-H860 AromaticContact ND1-NE2 2.91Å; H848-H860 PolarHBondContact ND1-NE2 2.94Å
849	F	93.4	Very high	90.6	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.013	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.8	178.2	69	-108.9	0	0	0	113	L781 L817 T819 L839 K840 Y841 I851 G861 T862	L781-F849 HydrophobicContact CD2-CD1 3.95Å; L781-F849 HydrophobicContact CD2-CD2 4.35Å; L781-F849 HydrophobicContact CD2-CE1 3.55Å; L781-F849 HydrophobicContact CD2-CE2 4.02Å; L781-F849 HydrophobicContact CD2-CG 4.33Å; L781-F849 HydrophobicContact CD2-CZ 3.6Å; L817-F849 HydrophobicContact CD2-CZ 4Å; T819-F849 HydrophobicContact CG2-CE2 4.27Å; T819-F849 HydrophobicContact CG2-CZ 4.38Å; L839-F849 HydrophobicContact CD1-CB 4.11Å; L839-F849 HydrophobicContact CD1-CD2 4.18Å; L839-F849 HydrophobicContact CD1-CG 4.36Å; K840-F849 CarbonylContact O-C 3.54Å; K840-F849 WeakPolarHBondContact O-CA 3.4Å; Y841-F849 HydrophobicContact CD1-CB 4.06Å; Y841-F849 HydrophobicContact CE1-CB 3.81Å; Y841-F849 HydrophobicContact CE1-CD1 4.42Å; Y841-F849 HydrophobicContact CE2-CB 4.45Å; Y841-F849 HydrophobicContact CG-CB 4.47Å; F849-I851 HydrophobicContact CD2-CD1 3.87Å; F849-I851 HydrophobicContact CD2-CG1 4.01Å; F849-I851 HydrophobicContact CE2-CD1 3.64Å; F849-I851 HydrophobicContact CE2-CG1 4.25Å; F849-G861 PolarHBondContact N-O 3.08Å; F849-G861 PolarHBondContact O-N 2.96Å; F849-T862 VanDerWaalsContact CE1-O 3.3Å; F849-T862 WeakPolarHBondContact CE1-O 3.47Å
850	F	94.3	Very high	90.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.4	-170.4	-63.3	-109.3	0	0	0	108.1	L839 K840 H842 H848 V858 R859 H860 Y873 F890 F898 V912	L839-F850 CarbonylContact C-O 3.55Å; K840-F850 HydrophobicContact CB-CB 4.42Å; K840-F850 PolarHBondContact N-O 2.65Å; K840-F850 WeakPolarHBondContact O-CB 3.22Å; K840-F850 PolarHBondContact O-N 3.46Å; H842-F850 HydrophobicContact CB-CE2 4.09Å; H848-F850 HydrophobicContact CB-CE2 4.29Å; F850-V858 HydrophobicContact CB-CG1 4.1Å; F850-V858 HydrophobicContact CD1-CG1 4.3Å; F850-R859 CarbonylContact C-O 3.51Å; F850-R859 WeakPolarHBondContact CA-O 3.38Å; F850-H860 AromaticContact CE2-NE2 4Å; F850-H860 AromaticContact CZ-CD2 3.75Å; F850-H860 AromaticContact CZ-NE2 3.58Å; F850-Y873 HydrophobicContact CD1-CD2 4.49Å; F850-Y873 AromaticContact CD1-CE2 3.75Å; F850-Y873 HydrophobicContact CD1-CE2 3.75Å; F850-Y873 AromaticContact CE1-CE2 3.55Å; F850-Y873 HydrophobicContact CE1-CE2 3.55Å; F850-Y873 AromaticContact CE1-CZ 3.7Å; F850-Y873 WeakPolarHBondContact CE1-OH 3.41Å; F850-F890 HydrophobicContact CD1-CZ 4.07Å; F850-F890 HydrophobicContact CD2-CE2 4.06Å; F850-F890 AromaticContact CD2-CZ 3.58Å; F850-F890 HydrophobicContact CD2-CZ 3.58Å; F850-F890 HydrophobicContact CE1-CZ 4.07Å; F850-F890 HydrophobicContact CE2-CE1 4.47Å; F850-F890 AromaticContact CE2-CZ 3.67Å; F850-F890 HydrophobicContact CE2-CZ 3.67Å; F850-F890 HydrophobicContact CG-CE2 4.31Å; F850-F890 AromaticContact CG-CZ 3.85Å; F850-F890 HydrophobicContact CG-CZ 3.85Å; F850-F890 HydrophobicContact CZ-CE1 4.41Å; F850-F890 AromaticContact CZ-CZ 3.91Å; F850-F890 HydrophobicContact CZ-CZ 3.91Å; F850-F898 HydrophobicContact CD1-CE1 4.08Å; F850-F898 HydrophobicContact CD1-CZ 4.04Å; F850-F898 HydrophobicContact CE1-CD1 4.33Å; F850-F898 AromaticContact CE1-CE1 3.73Å; F850-F898 HydrophobicContact CE1-CE1 3.73Å; F850-F898 HydrophobicContact CE1-CZ 4.08Å; F850-V912 HydrophobicContact CE1-CG2 4.19Å; F850-V912 HydrophobicContact CZ-CG1 3.94Å; F850-V912 HydrophobicContact CZ-CG2 3.93Å
851	I	94.3	Very high	90.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.8	-175.9	-68.6	175.4	0	0	0	110	L775 T819 T836 L838 L839 F849 T853 V858 R859	L775-I851 HydrophobicContact CD1-CD1 4.11Å; L775-I851 HydrophobicContact CD2-CD1 3.93Å; L775-I851 HydrophobicContact CD2-CG1 3.91Å; L775-I851 HydrophobicContact CD2-CG2 3.93Å; T819-I851 HydrophobicContact CG2-CD1 3.53Å; T836-I851 HydrophobicContact CG2-CG2 3.51Å; L838-I851 VanDerWaalsContact O-CA 3.3Å; L838-I851 WeakPolarHBondContact O-CA 3.5Å; L839-I851 HydrophobicContact CD1-CD1 4.05Å; L839-I851 HydrophobicContact CD1-CG1 3.61Å; F849-I851 HydrophobicContact CD2-CD1 3.87Å; F849-I851 HydrophobicContact CD2-CG1 4.01Å; F849-I851 HydrophobicContact CE2-CD1 3.64Å; F849-I851 HydrophobicContact CE2-CG1 4.25Å; I851-T853 HydrophobicContact CG2-CG2 4.46Å; I851-V858 CarbonylContact O-C 3.56Å; I851-V858 WeakPolarHBondContact O-CA 3.12Å; I851-R859 HydrophobicContact CB-CB 4.42Å; I851-R859 PolarHBondContact N-O 3.46Å; I851-R859 PolarHBondContact O-N 3.08Å
852	G	93.8	Very high	90.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	140.5	170.6	0	0	0	0	0	110.9	L837 L838	L837-G852 PolarHBondContact N-O 2.59Å; L838-G852 PolarHBondContact O-N 2.93Å
853	T	91.7	Very high	89.8	Confident	19 Å²	19	24.7 Å²	24.7	12%	0.117	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	164.9	-178.5	66.3	0	0	0	0	111.9	Q835 T836 I851 L855 L857 I885	Q835-T853 WeakPolarHBondContact O-CA 3.34Å; T836-T853 HydrophobicContact CG2-CG2 4.45Å; I851-T853 HydrophobicContact CG2-CG2 4.46Å; T853-L855 PolarHBondContact O-N 3.35Å; T853-L855 VanDerWaalsContact O-N 3.17Å; T853-L855 PolarHBondContact OG1-N 2.9Å; T853-L857 PolarHBondContact N-O 2.98Å; T853-L857 PolarHBondContact OG1-O 2.84Å; T853-I885 PolarHBondContact O-N 3.44Å
854	N	89.9	Confident	89.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	18	172.1	71.1	-15.1	0	0	0	114.8	R832 P833 S834 Q835 L837 D884	R832-N854 PolarHBondContact NE-ND2 2.82Å; P833-N854 PolarHBondContact O-ND2 2.85Å; S834-N854 WeakPolarHBondContact CA-OD1 3.19Å; Q835-N854 HydrophobicContact CB-CB 4.44Å; Q835-N854 WeakPolarHBondContact CB-ND2 3.49Å; Q835-N854 VanDerWaalsContact N-CG 3.31Å; Q835-N854 PolarHBondContact N-ND2 2.91Å; Q835-N854 PolarHBondContact N-OD1 3.12Å; Q835-N854 PolarHBondContact O-N 3.41Å; Q835-N854 VanDerWaalsContact O-N 3.12Å; Q835-N854 PolarHBondContact O-OD1 2.89Å; Q835-N854 PolarHBondContact OE1-ND2 3.4Å; L837-N854 HydrophobicContact CD1-CB 4.17Å; L837-N854 HydrophobicContact CG-CB 4.49Å; N854-D884 VanDerWaalsContact CA-OD1 3.28Å; N854-D884 WeakPolarHBondContact CA-OD1 3.48Å; N854-D884 WeakPolarHBondContact CB-OD1 3.33Å
855	L	87.1	Confident	88.7	Confident	22 Å²	22	27.2 Å²	27.2	12%	0.115	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	16.9	-176.3	-58.9	-179.8	0	0	0	112.9	L825 T853 L857 T882	L825-L855 HydrophobicContact CD2-CD1 3.64Å; T853-L855 PolarHBondContact O-N 3.35Å; T853-L855 VanDerWaalsContact O-N 3.17Å; T853-L855 PolarHBondContact OG1-N 2.9Å; L855-L857 PolarHBondContact O-N 2.64Å; L855-L857 VanDerWaalsContact O-N 3.13Å; L855-T882 HydrophobicContact CD2-CG2 3.98Å
856	G	87.1	Confident	88.3	Confident	9 Å²	9	30.6 Å²	30.6	9%	0.093	18%	0.176	C	C	.	.	S	Bend	trans	72.7	-2.7	-177	0	0	0	0	0	115	V883 R908	G856-V883 VanDerWaalsContact CA-O 3.31Å; G856-V883 WeakPolarHBondContact CA-O 3.26Å; G856-V883 PolarHBondContact N-O 3.47Å; G856-R908 PolarHBondContact O-NH1 3.2Å; G856-R908 PolarHBondContact O-NH2 2.85Å
857	L	89.6	Confident	88	Confident	50 Å²	50	35.9 Å²	35.9	26%	0.262	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-100	132.9	-176.6	-59.7	176.8	0	0	0	112.2	T853 L855 F872 R874 I885	T853-L857 PolarHBondContact N-O 2.98Å; T853-L857 PolarHBondContact OG1-O 2.84Å; L855-L857 PolarHBondContact O-N 2.64Å; L855-L857 VanDerWaalsContact O-N 3.13Å; L857-F872 HydrophobicContact CB-CD1 4.48Å; L857-F872 HydrophobicContact CD1-CD1 4.4Å; L857-R874 HydrophobicContact CD2-CB 3.68Å; L857-I885 VanDerWaalsContact C-CD1 3.44Å; L857-I885 WeakPolarHBondContact O-CD1 3.47Å
858	V	93	Very high	87.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.7	161.7	-178.4	0	0	0	0	107.9	F850 I851 F872 Y873 I885 I888 F898 V900	F850-V858 HydrophobicContact CB-CG1 4.1Å; F850-V858 HydrophobicContact CD1-CG1 4.3Å; I851-V858 CarbonylContact O-C 3.56Å; I851-V858 WeakPolarHBondContact O-CA 3.12Å; V858-F872 CarbonylContact O-C 3.38Å; V858-F872 VanDerWaalsContact O-CA 3.27Å; V858-F872 WeakPolarHBondContact O-CA 3.42Å; V858-Y873 HydrophobicContact CB-CD2 4.06Å; V858-Y873 HydrophobicContact CG1-CD2 4.08Å; V858-Y873 PolarHBondContact N-O 3.23Å; V858-Y873 VanDerWaalsContact N-O 3.11Å; V858-Y873 PolarHBondContact O-N 2.74Å; V858-I885 HydrophobicContact CG2-CD1 3.69Å; V858-I888 HydrophobicContact CB-CD1 4.49Å; V858-I888 HydrophobicContact CG1-CD1 3.83Å; V858-I888 HydrophobicContact CG2-CD1 3.83Å; V858-I888 HydrophobicContact CG2-CG1 4.34Å; V858-F898 HydrophobicContact CG1-CE2 4.4Å; V858-F898 HydrophobicContact CG2-CE2 4.49Å; V858-V900 HydrophobicContact CG2-CG1 3.96Å; V858-V900 HydrophobicContact CG2-CG2 3.89Å
859	R	90.5	Very high	87.3	Confident	27 Å²	27	36.4 Å²	36.4	10%	0.102	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.7	174.5	175.9	178.4	176.8	77.6	-1.7	110.6	T819 F850 I851 F872	T819-R859 PolarHBondContact O-NE 2.83Å; T819-R859 PolarHBondContact O-NH2 3.21Å; F850-R859 CarbonylContact C-O 3.51Å; F850-R859 WeakPolarHBondContact CA-O 3.38Å; I851-R859 HydrophobicContact CB-CB 4.42Å; I851-R859 PolarHBondContact N-O 3.46Å; I851-R859 PolarHBondContact O-N 3.08Å; R859-F872 HydrophobicContact CB-CD1 4.07Å; R859-F872 HydrophobicContact CB-CE1 4.07Å; R859-F872 HydrophobicContact CG-CD1 4.35Å; R859-F872 HydrophobicContact CG-CE1 4.06Å
860	H	92.6	Very high	87.1	Confident	5 Å²	5	37.2 Å²	37.2	2%	0.023	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	137.7	167.9	-159.5	179.3	0	0	0	109.5	H848 F850 P870 Q871 Y873	H848-H860 AromaticContact CE1-NE2 3.86Å; H848-H860 AromaticContact CG-NE2 3.88Å; H848-H860 AromaticContact ND1-CD2 3.89Å; H848-H860 AromaticContact ND1-CE1 3.66Å; H848-H860 AromaticContact ND1-NE2 2.91Å; H848-H860 PolarHBondContact ND1-NE2 2.94Å; F850-H860 AromaticContact CE2-NE2 4Å; F850-H860 AromaticContact CZ-CD2 3.75Å; F850-H860 AromaticContact CZ-NE2 3.58Å; H860-P870 WeakPolarHBondContact CB-O 3.34Å; H860-P870 PolarHBondContact ND1-O 3.39Å; H860-Q871 PolarHBondContact N-O 2.88Å; H860-Y873 HydrophobicContact CB-CE2 3.88Å; H860-Y873 PolarHBondContact CE1-OH 2.86Å; H860-Y873 PolarHBondContact ND1-OH 3.16Å
861	G	90.4	Very high	86.8	Confident	6 Å²	6	40.8 Å²	40.8	6%	0.062	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	169.1	173.9	0	0	0	0	0	112	F849	F849-G861 PolarHBondContact N-O 3.08Å; F849-G861 PolarHBondContact O-N 2.96Å
862	T	89.5	Confident	86.5	Confident	13 Å²	13	43.4 Å²	43.4	8%	0.08	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	149.3	170	73.8	0	0	0	0	112.7	N847 F849 H864 G865 L866 A868	N847-T862 CarbonylContact O-C 3.58Å; N847-T862 WeakPolarHBondContact O-CA 3.33Å; N847-T862 WeakPolarHBondContact O-CB 3.44Å; F849-T862 VanDerWaalsContact CE1-O 3.3Å; F849-T862 WeakPolarHBondContact CE1-O 3.47Å; T862-H864 PolarHBondContact O-N 3.01Å; T862-G865 PolarHBondContact O-N 2.95Å; T862-L866 WeakPolarHBondContact OG1-CB 3.42Å; T862-L866 PolarHBondContact OG1-N 2.72Å; T862-L866 VanDerWaalsContact OG1-N 3.07Å; T862-L866 PolarHBondContact OG1-O 3.47Å; T862-L866 VanDerWaalsContact OG1-O 3.12Å; T862-A868 HydrophobicContact CG2-CB 3.9Å
863	S	83.7	Confident	86.4	Confident	21 Å²	21	43.4 Å²	43.4	15%	0.147	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-42.6	175.9	54.1	0	0	0	0	113.1	N847 G865	N847-S863 WeakPolarHBondContact CA-OG 3.3Å; N847-S863 PolarHBondContact O-N 3.16Å; N847-S863 PolarHBondContact OD1-OG 3.27Å; S863-G865 VanDerWaalsContact C-N 3.3Å; S863-G865 PolarHBondContact O-N 3.41Å
864	H	78.3	Confident	86.3	Confident	145 Å²	145	48.4 Å²	48.4	67%	0.671	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	8.8	-178.5	-58.2	-59	0	0	0	114.3	N847 T862 L866	N847-H864 PolarHBondContact OD1-NE2 2.93Å; T862-H864 PolarHBondContact O-N 3.01Å; H864-L866 HydrophobicContact CB-CG 4.38Å; H864-L866 PolarHBondContact O-N 3.1Å
865	G	72.6	Confident	86.1	Confident	54 Å²	54	49.8 Å²	49.8	56%	0.557	27%	0.265	S	S	*	.	S	Bend	trans	72.3	10.3	179	0	0	0	0	0	115.1	T862 S863	T862-G865 PolarHBondContact O-N 2.95Å; S863-G865 VanDerWaalsContact C-N 3.3Å; S863-G865 PolarHBondContact O-N 3.41Å
866	L	77.3	Confident	85.7	Confident	126 Å²	126	54.6 Å²	54.6	66%	0.66	29%	0.287	S	S	*	.			trans	-74.5	154.9	174.5	-56.1	177.6	0	0	0	110.4	T862 H864 A868	T862-L866 WeakPolarHBondContact OG1-CB 3.42Å; T862-L866 PolarHBondContact OG1-N 2.72Å; T862-L866 VanDerWaalsContact OG1-N 3.07Å; T862-L866 PolarHBondContact OG1-O 3.47Å; T862-L866 VanDerWaalsContact OG1-O 3.12Å; H864-L866 HydrophobicContact CB-CG 4.38Å; H864-L866 PolarHBondContact O-N 3.1Å; L866-A868 PolarHBondContact O-N 3.01Å
867	K	79.4	Confident	84.8	Confident	149 Å²	149	57.1 Å²	57.1	65%	0.648	30%	0.297	S	S	*	.			trans	-85	107.7	178.7	-63.5	-175.8	-177.5	-176.6	0	110.3
868	A	82.4	Confident	83	Confident	5 Å²	5	64.3 Å²	64.3	4%	0.041	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-77.2	133.2	166.3	0	0	0	0	0	110.8	T862 L866 P870 Q871	T862-A868 HydrophobicContact CG2-CB 3.9Å; L866-A868 PolarHBondContact O-N 3.01Å; A868-P870 CarbonylContact O-C 3.59Å; A868-Q871 WeakPolarHBondContact O-CA 3.48Å; A868-Q871 WeakPolarHBondContact O-CG 3.33Å; A868-Q871 PolarHBondContact O-N 3.01Å
869	P	82.9	Confident	81.4	Confident	110 Å²	110	71.6 Å²	71.6	71%	0.714	37%	0.365	S	S	*	.	S	Bend	trans	-86.7	145.7	161.5	34.2	-30.7	0	0	0	110.6
870	P	88.8	Confident	79.9	Confident	21 Å²	21	78 Å²	78	14%	0.136	40%	0.396	C	S	.	.	S	Bend	cis	-65.2	147.9	-19.5	32.5	-36.2	0	0	0	110.2	H860 A868 Y873 V912 D915	H860-P870 WeakPolarHBondContact CB-O 3.34Å; H860-P870 PolarHBondContact ND1-O 3.39Å; A868-P870 CarbonylContact O-C 3.59Å; P870-Y873 HydrophobicContact CG-CD1 4.1Å; P870-Y873 HydrophobicContact CG-CE1 3.44Å; P870-Y873 VanDerWaalsContact CG-CE1 3.44Å; P870-Y873 HydrophobicContact CG-CE2 4.46Å; P870-V912 WeakPolarHBondContact CD-O 3.23Å; P870-D915 HydrophobicContact CB-CB 3.78Å; P870-D915 HydrophobicContact CG-CB 4.45Å
871	Q	87.7	Confident	78.7	Confident	75 Å²	75	83 Å²	83	35%	0.35	42%	0.415	S	S	.	.	S	Bend	trans	-80.1	-22.4	-177.7	-74.8	172.4	59	0	0	113.4	H860 A868	H860-Q871 PolarHBondContact N-O 2.88Å; A868-Q871 WeakPolarHBondContact O-CA 3.48Å; A868-Q871 WeakPolarHBondContact O-CG 3.33Å; A868-Q871 PolarHBondContact O-N 3.01Å
872	F	89.1	Confident	78.2	Confident	55 Å²	55	86.1 Å²	86.1	24%	0.241	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	144.6	179.7	-60.1	-85.5	0	0	0	109.3	L824 L857 V858 R859 D915	L824-F872 HydrophobicContact CD2-CE2 4.27Å; L857-F872 HydrophobicContact CB-CD1 4.48Å; L857-F872 HydrophobicContact CD1-CD1 4.4Å; V858-F872 CarbonylContact O-C 3.38Å; V858-F872 VanDerWaalsContact O-CA 3.27Å; V858-F872 WeakPolarHBondContact O-CA 3.42Å; R859-F872 HydrophobicContact CB-CD1 4.07Å; R859-F872 HydrophobicContact CB-CE1 4.07Å; R859-F872 HydrophobicContact CG-CD1 4.35Å; R859-F872 HydrophobicContact CG-CE1 4.06Å; F872-D915 WeakPolarHBondContact O-CB 3.37Å
873	Y	91.2	Very high	78.2	Confident	0 Å²	0	86.6 Å²	86.6	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.7	168.6	-50.4	-95.6	0	0	0	108.8	F850 V858 H860 P870 F898 H910 V912 H914 D915	F850-Y873 HydrophobicContact CD1-CD2 4.49Å; F850-Y873 AromaticContact CD1-CE2 3.75Å; F850-Y873 HydrophobicContact CD1-CE2 3.75Å; F850-Y873 AromaticContact CE1-CE2 3.55Å; F850-Y873 HydrophobicContact CE1-CE2 3.55Å; F850-Y873 AromaticContact CE1-CZ 3.7Å; F850-Y873 WeakPolarHBondContact CE1-OH 3.41Å; V858-Y873 HydrophobicContact CB-CD2 4.06Å; V858-Y873 HydrophobicContact CG1-CD2 4.08Å; V858-Y873 PolarHBondContact N-O 3.23Å; V858-Y873 VanDerWaalsContact N-O 3.11Å; V858-Y873 PolarHBondContact O-N 2.74Å; H860-Y873 HydrophobicContact CB-CE2 3.88Å; H860-Y873 PolarHBondContact CE1-OH 2.86Å; H860-Y873 PolarHBondContact ND1-OH 3.16Å; P870-Y873 HydrophobicContact CG-CD1 4.1Å; P870-Y873 HydrophobicContact CG-CE1 3.44Å; P870-Y873 VanDerWaalsContact CG-CE1 3.44Å; P870-Y873 HydrophobicContact CG-CE2 4.46Å; Y873-F898 HydrophobicContact CD1-CE1 4.34Å; Y873-F898 AromaticContact CD1-CZ 3.79Å; Y873-F898 HydrophobicContact CD1-CZ 3.79Å; Y873-F898 AromaticContact CD2-CZ 3.75Å; Y873-F898 HydrophobicContact CD2-CZ 3.75Å; Y873-F898 HydrophobicContact CE1-CE1 4.03Å; Y873-F898 AromaticContact CE1-CZ 3.89Å; Y873-F898 HydrophobicContact CE1-CZ 3.89Å; Y873-F898 HydrophobicContact CE2-CE1 4.34Å; Y873-F898 AromaticContact CE2-CZ 3.85Å; Y873-F898 HydrophobicContact CE2-CZ 3.85Å; Y873-F898 AromaticContact CG-CZ 3.73Å; Y873-F898 HydrophobicContact CG-CZ 3.73Å; Y873-F898 AromaticContact CZ-CZ 3.94Å; Y873-H910 HydrophobicContact CD1-CB 4.2Å; Y873-V912 PolarHBondContact OH-O 3.32Å; Y873-H914 WeakPolarHBondContact CD1-O 3.49Å; Y873-H914 WeakPolarHBondContact CE1-O 3.22Å; Y873-D915 WeakPolarHBondContact CA-O 3.49Å
874	R	88.9	Confident	78.5	Confident	124 Å²	124	87.2 Å²	87.2	47%	0.468	44%	0.437	S	S	.	.			trans	-139.1	162.8	-168.2	56.7	-177.6	170.2	126.8	5.1	111.6	L857 H910 D915 Q916	L857-R874 HydrophobicContact CD2-CB 3.68Å; R874-H910 PolarHBondContact O-CE1 2.9Å; R874-H910 VanDerWaalsContact O-CE1 3.29Å; R874-D915 IonicContact CZ-OD2 2.74Å; R874-D915 PolarHBondContact N-O 3.43Å; R874-D915 VanDerWaalsContact N-O 3.12Å; R874-D915 IonicContact NE-OD2 2.78Å; R874-D915 PolarHBondContact NE-OD2 2.95Å; R874-D915 IonicContact NH2-OD2 2.86Å; R874-D915 PolarHBondContact NH2-OD2 3.35Å; R874-Q916 VanDerWaalsContact NE-NE2 3.15Å
875	S	85.3	Confident	79.3	Confident	29 Å²	29	80.3 Å²	80.3	20%	0.203	41%	0.405	C	S	.	.			trans	-61.7	159.4	168.5	-178.3	0	0	0	0	110.5	E877 E920	S875-E877 VanDerWaalsContact C-N 3.34Å; S875-E877 PolarHBondContact OG-N 2.85Å; S875-E920 VanDerWaalsContact CB-OE1 3.24Å; S875-E920 WeakPolarHBondContact CB-OE1 3.33Å; S875-E920 PolarHBondContact OG-OE1 3.14Å; S875-E920 PolarHBondContact OG-OE2 3.17Å; S875-E920 VanDerWaalsContact OG-OE2 3.1Å
876	Q	80	Confident	80.3	Confident	122 Å²	122	81 Å²	81	57%	0.57	40%	0.397	S	S	*	.	S	Bend	trans	-81.8	-11.7	176.6	-162.6	158	17.3	0	0	113.2	P917 E920	Q876-P917 HydrophobicContact CB-CG 3.88Å; Q876-E920 WeakPolarHBondContact CB-OE2 3.3Å; Q876-E920 PolarHBondContact N-OE2 3.12Å
877	E	68.6	Low	81.1	Confident	63 Å²	63	75.8 Å²	75.8	29%	0.294	37%	0.37	S	S	.	.	S	Bend	trans	-69.8	151.9	168.7	-73.3	-171	172.1	0	0	112.7	S875 R881 M922	S875-E877 VanDerWaalsContact C-N 3.34Å; S875-E877 PolarHBondContact OG-N 2.85Å; E877-R881 IonicContact OE1-CZ 3.66Å; E877-R881 IonicContact OE1-NH2 2.78Å; E877-R881 PolarHBondContact OE1-NH2 3.3Å; E877-R881 IonicContact OE2-CZ 2.67Å; E877-R881 IonicContact OE2-NE 3.5Å; E877-R881 PolarHBondContact OE2-NE 3.1Å; E877-R881 IonicContact OE2-NH2 3.66Å; E877-R881 PolarHBondContact OE2-NH2 3Å; E877-M922 HydrophobicContact CG-CE 3.62Å; E877-M922 WeakPolarHBondContact OE1-CE 3.47Å
878	M	51.7	Low	81.9	Confident	200 Å²	200	68.9 Å²	68.9	99%	0.985	34%	0.34	S	S	*	.	S	Bend	trans	-84	-7.9	175.7	-68.1	-162.4	-177.9	0	0	114.3
879	E	58.4	Low	82.5	Confident	154 Å²	154	70.3 Å²	70.3	72%	0.72	35%	0.346	S	S	*	.	S	Bend	trans	-87.3	126.6	175.5	-65.2	-162.6	154	0	0	110.8	R881	E879-R881 PolarHBondContact O-N 2.87Å
880	E	60.1	Low	83	Confident	160 Å²	160	65.8 Å²	65.8	75%	0.748	32%	0.315	S	S	*	.			trans	-72.8	75.2	177.3	-66.9	-169.2	151.1	0	0	111.3	T882	E880-T882 PolarHBondContact O-N 2.92Å; E880-T882 VanDerWaalsContact O-N 3.16Å
881	R	67.1	Low	83.2	Confident	112 Å²	112	64.9 Å²	64.9	42%	0.423	31%	0.309	S	S	.	.			trans	-65.4	109.6	174	-59.3	-172.6	-174.6	-159.8	4.5	110.5	E877 E879 V883	E877-R881 IonicContact OE1-CZ 3.66Å; E877-R881 IonicContact OE1-NH2 2.78Å; E877-R881 PolarHBondContact OE1-NH2 3.3Å; E877-R881 IonicContact OE2-CZ 2.67Å; E877-R881 IonicContact OE2-NE 3.5Å; E877-R881 PolarHBondContact OE2-NE 3.1Å; E877-R881 IonicContact OE2-NH2 3.66Å; E877-R881 PolarHBondContact OE2-NH2 3Å; E879-R881 PolarHBondContact O-N 2.87Å; R881-V883 HydrophobicContact CB-CG2 3.97Å; R881-V883 PolarHBondContact O-N 3.11Å
882	T	80.4	Confident	83.2	Confident	71 Å²	71	64.1 Å²	64.1	44%	0.436	31%	0.311	S	S	.	.			trans	-76.6	93.3	174.4	54.6	0	0	0	0	110.7	L855 E880	L855-T882 HydrophobicContact CD2-CG2 3.98Å; E880-T882 PolarHBondContact O-N 2.92Å; E880-T882 VanDerWaalsContact O-N 3.16Å
883	V	88.1	Confident	83	Confident	22 Å²	22	64.4 Å²	64.4	13%	0.133	31%	0.312	C	S	.	.			trans	-121.6	140.5	-176.9	-176	0	0	0	0	110.7	G856 R881 I885 C902 A903 D904	G856-V883 VanDerWaalsContact CA-O 3.31Å; G856-V883 WeakPolarHBondContact CA-O 3.26Å; G856-V883 PolarHBondContact N-O 3.47Å; R881-V883 HydrophobicContact CB-CG2 3.97Å; R881-V883 PolarHBondContact O-N 3.11Å; V883-I885 PolarHBondContact O-N 3.05Å; V883-C902 HydrophobicContact CG1-CB 3.9Å; V883-A903 HydrophobicContact CG1-CB 4.08Å; V883-D904 HydrophobicContact CG1-CB 3.9Å; V883-D904 HydrophobicContact CG2-CB 4.21Å
884	D	91.3	Very high	82.9	Confident	34 Å²	34	67.5 Å²	67.5	18%	0.182	32%	0.324	C	S	.	.			trans	-74.6	127.4	177.4	-69.2	0.9	0	0	0	110.3	R832 L837 N854 A903	R832-D884 IonicContact CZ-OD1 2.78Å; R832-D884 IonicContact CZ-OD2 2.65Å; R832-D884 IonicContact NH1-OD1 3.4Å; R832-D884 PolarHBondContact NH1-OD1 3.38Å; R832-D884 IonicContact NH1-OD2 3.66Å; R832-D884 PolarHBondContact NH1-OD2 3.07Å; R832-D884 IonicContact NH2-OD1 2.71Å; R832-D884 IonicContact NH2-OD2 3.27Å; R832-D884 PolarHBondContact NH2-OD2 3.05Å; L837-D884 HydrophobicContact CD1-CB 3.75Å; N854-D884 VanDerWaalsContact CA-OD1 3.28Å; N854-D884 WeakPolarHBondContact CA-OD1 3.48Å; N854-D884 WeakPolarHBondContact CB-OD1 3.33Å; D884-A903 HydrophobicContact CB-CB 3.9Å; D884-A903 VanDerWaalsContact O-CB 3.29Å; D884-A903 WeakPolarHBondContact O-CB 3.34Å; D884-A903 PolarHBondContact O-N 3.49Å
885	I	94	Very high	82.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	116.7	173.3	-60.6	172.7	0	0	0	108.5	L837 L838 T853 L857 V858 V883 I888 V900	L837-I885 WeakPolarHBondContact CD1-O 3.48Å; L838-I885 HydrophobicContact CD2-CB 4.43Å; L838-I885 HydrophobicContact CD2-CG2 3.98Å; L838-I885 VanDerWaalsContact CD2-O 3.24Å; L838-I885 WeakPolarHBondContact CD2-O 3.46Å; T853-I885 PolarHBondContact O-N 3.44Å; L857-I885 VanDerWaalsContact C-CD1 3.44Å; L857-I885 WeakPolarHBondContact O-CD1 3.47Å; V858-I885 HydrophobicContact CG2-CD1 3.69Å; V883-I885 PolarHBondContact O-N 3.05Å; I885-I888 HydrophobicContact CG2-CD1 4.44Å; I885-I888 HydrophobicContact CG2-CG1 4.09Å; I885-V900 HydrophobicContact CD1-CG1 4.21Å; I885-V900 HydrophobicContact CG1-CG1 4.29Å; I885-V900 HydrophobicContact CG2-CG1 3.53Å
886	N	93.6	Very high	82.9	Confident	70 Å²	70	65.9 Å²	65.9	37%	0.374	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-23.8	-174.2	-65.5	-15.3	0	0	0	112.7	G901 V930	N886-G901 PolarHBondContact N-O 3.2Å; N886-V930 WeakPolarHBondContact CB-O 3.36Å; N886-V930 PolarHBondContact ND2-O 2.79Å
887	S	94.2	Very high	83.5	Confident	16 Å²	16	60.1 Å²	60.1	11%	0.112	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	144.5	179.6	-166.6	0	0	0	0	112.8	V900 G901 L933	S887-V900 WeakPolarHBondContact O-CA 3.04Å; S887-G901 PolarHBondContact N-O 3.35Å; S887-G901 PolarHBondContact O-N 3.49Å; S887-L933 PolarHBondContact OG-N 3.34Å; S887-L933 PolarHBondContact OG-O 3.16Å
888	I	95.9	Very high	84.8	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.015	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.1	167.4	-63.9	166.8	0	0	0	106.7	L838 K840 V858 I885 F898 L899 V900	L838-I888 HydrophobicContact CD1-CB 3.83Å; L838-I888 HydrophobicContact CD1-CD1 4.06Å; L838-I888 HydrophobicContact CD1-CG1 3.88Å; L838-I888 HydrophobicContact CD2-CD1 4.37Å; L838-I888 HydrophobicContact CG-CD1 4.16Å; L838-I888 HydrophobicContact CG-CG1 4.46Å; K840-I888 HydrophobicContact CB-CG2 4.25Å; K840-I888 HydrophobicContact CG-CB 3.91Å; K840-I888 HydrophobicContact CG-CG2 3.91Å; V858-I888 HydrophobicContact CB-CD1 4.49Å; V858-I888 HydrophobicContact CG1-CD1 3.83Å; V858-I888 HydrophobicContact CG2-CD1 3.83Å; V858-I888 HydrophobicContact CG2-CG1 4.34Å; I885-I888 HydrophobicContact CG2-CD1 4.44Å; I885-I888 HydrophobicContact CG2-CG1 4.09Å; I888-F898 HydrophobicContact CG2-CB 4.4Å; I888-F898 HydrophobicContact CG2-CD2 3.94Å; I888-F898 HydrophobicContact CG2-CG 4.5Å; I888-L899 VanDerWaalsContact CA-O 3.29Å; I888-L899 WeakPolarHBondContact CA-O 3.5Å; I888-V900 HydrophobicContact CG1-CG1 4.33Å; I888-V900 HydrophobicContact CG1-CG2 4.39Å
889	H	95.1	Very high	86.9	Confident	36 Å²	36	47.6 Å²	47.6	17%	0.167	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	120.4	177.3	-156	-72.7	0	0	0	111.6	F898 L899 L933 W935	H889-F898 WeakPolarHBondContact O-CA 3.29Å; H889-L899 PolarHBondContact N-O 3.08Å; H889-L899 PolarHBondContact O-N 3.45Å; H889-L933 HydrophobicContact CB-CD2 4.19Å; H889-W935 AromaticContact ND1-CD1 3.56Å; H889-W935 PolarHBondContact O-NE1 3.03Å
890	F	94.2	Very high	88.6	Confident	15 Å²	15	40.3 Å²	40.3	7%	0.066	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	149.7	171.6	-77	-82.4	0	0	0	111.6	K840 Y841 H842 P843 F850 P892 P895 L897 F898 V912	K840-F890 HydrophobicContact CB-CD2 4.35Å; K840-F890 HydrophobicContact CB-CE2 3.93Å; Y841-F890 WeakPolarHBondContact O-CE2 3.44Å; H842-F890 AromaticContact CD2-CE1 3.95Å; P843-F890 HydrophobicContact CG-CB 3.55Å; P843-F890 HydrophobicContact CG-CD1 4.24Å; P843-F890 HydrophobicContact CG-CD2 4.31Å; P843-F890 HydrophobicContact CG-CG 3.78Å; F850-F890 HydrophobicContact CD1-CZ 4.07Å; F850-F890 HydrophobicContact CD2-CE2 4.06Å; F850-F890 AromaticContact CD2-CZ 3.58Å; F850-F890 HydrophobicContact CD2-CZ 3.58Å; F850-F890 HydrophobicContact CE1-CZ 4.07Å; F850-F890 HydrophobicContact CE2-CE1 4.47Å; F850-F890 AromaticContact CE2-CZ 3.67Å; F850-F890 HydrophobicContact CE2-CZ 3.67Å; F850-F890 HydrophobicContact CG-CE2 4.31Å; F850-F890 AromaticContact CG-CZ 3.85Å; F850-F890 HydrophobicContact CG-CZ 3.85Å; F850-F890 HydrophobicContact CZ-CE1 4.41Å; F850-F890 AromaticContact CZ-CZ 3.91Å; F850-F890 HydrophobicContact CZ-CZ 3.91Å; F890-P892 WeakPolarHBondContact O-CD 3.47Å; F890-P895 WeakPolarHBondContact CD1-O 3.5Å; F890-L897 WeakPolarHBondContact CA-O 3.42Å; F890-L897 WeakPolarHBondContact CD1-O 3.41Å; F890-F898 HydrophobicContact CD1-CB 3.7Å; F890-F898 HydrophobicContact CD1-CD1 4.4Å; F890-F898 HydrophobicContact CD1-CG 4.45Å; F890-F898 HydrophobicContact CD2-CB 4.47Å; F890-F898 HydrophobicContact CE1-CB 3.78Å; F890-F898 AromaticContact CE1-CD1 3.72Å; F890-F898 HydrophobicContact CE1-CD1 3.72Å; F890-F898 HydrophobicContact CE1-CG 4.05Å; F890-F898 HydrophobicContact CG-CB 4.05Å; F890-F898 HydrophobicContact CZ-CB 4.19Å; F890-F898 HydrophobicContact CZ-CD1 4.13Å; F890-F898 HydrophobicContact CZ-CG 4.28Å; F890-V912 HydrophobicContact CE1-CG2 3.9Å
891	S	91.9	Very high	90.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	17%	0.166	C	C	.	.			trans	-73.4	125.6	173.4	176.6	0	0	0	0	110.2	F893 R894 L897	S891-F893 PolarHBondContact O-N 2.9Å; S891-F893 VanDerWaalsContact O-N 3.12Å; S891-F893 PolarHBondContact OG-N 2.93Å; S891-R894 CarbonylContact O-C 3.6Å; S891-R894 PolarHBondContact O-N 2.84Å; S891-R894 PolarHBondContact OG-N 3.02Å; S891-L897 PolarHBondContact N-O 2.92Å
892	P	87.4	Confident	91.6	Very high	59 Å²	59	27.4 Å²	27.4	38%	0.383	15%	0.146	S	C	.	.	S	Bend	trans	-59.8	-22.2	177.7	-24.6	34.3	0	0	0	114.1	F890 W935	F890-P892 WeakPolarHBondContact O-CD 3.47Å; P892-W935 HydrophobicContact CG-CB 4.3Å
893	F	86.8	Confident	92.1	Very high	61 Å²	61	25.7 Å²	25.7	27%	0.268	14%	0.139	S	C	.	.	S	Bend	trans	-100.6	-25.5	-176.8	-56.7	-89.6	0	0	0	112.6	S891 P940	S891-F893 PolarHBondContact O-N 2.9Å; S891-F893 VanDerWaalsContact O-N 3.12Å; S891-F893 PolarHBondContact OG-N 2.93Å; F893-P940 HydrophobicContact CB-CB 4.07Å; F893-P940 HydrophobicContact CB-CG 4.18Å; F893-P940 HydrophobicContact CD1-CG 3.8Å; F893-P940 HydrophobicContact CD2-CB 3.92Å; F893-P940 HydrophobicContact CD2-CG 3.93Å; F893-P940 HydrophobicContact CE1-CG 4.12Å; F893-P940 HydrophobicContact CE2-CG 4.25Å; F893-P940 HydrophobicContact CG-CB 3.92Å; F893-P940 HydrophobicContact CG-CG 3.7Å; F893-P940 HydrophobicContact CZ-CG 4.34Å
894	R	87.1	Confident	92.2	Very high	66 Å²	66	26.7 Å²	26.7	25%	0.249	14%	0.144	C	C	.	.			trans	-136.4	82.6	-176.4	-69.5	-66.6	-65	-150.7	-11.3	110.2	S891 N896 L897 L1022 E1023	S891-R894 CarbonylContact O-C 3.6Å; S891-R894 PolarHBondContact O-N 2.84Å; S891-R894 PolarHBondContact OG-N 3.02Å; R894-N896 PolarHBondContact O-N 3.18Å; R894-L897 HydrophobicContact CB-CD1 4.29Å; R894-L897 PolarHBondContact O-N 2.88Å; R894-L1022 HydrophobicContact CG-CD1 4.31Å; R894-E1023 IonicContact CZ-OE1 3.87Å; R894-E1023 IonicContact CZ-OE2 2.7Å; R894-E1023 IonicContact NH1-OE1 2.87Å; R894-E1023 PolarHBondContact NH1-OE1 3.05Å; R894-E1023 IonicContact NH1-OE2 2.65Å; R894-E1023 IonicContact NH2-OE1 3.06Å; R894-E1023 PolarHBondContact NH2-OE1 3.49Å; R894-E1023 IonicContact NH2-OE2 3.42Å; R894-E1023 PolarHBondContact NH2-OE2 3.39Å
895	P	86.1	Confident	92.1	Very high	31 Å²	31	25 Å²	25	20%	0.201	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-26.3	-178.4	-30.7	37.9	0	0	0	115.1	H842 P843 T844 F890 L897	H842-P895 PolarHBondContact CD2-O 3.07Å; H842-P895 PolarHBondContact NE2-O 2.89Å; P843-P895 HydrophobicContact CB-CB 4.17Å; P843-P895 HydrophobicContact CB-CG 4.32Å; P843-P895 HydrophobicContact CG-CB 4.19Å; T844-P895 WeakPolarHBondContact OG1-CB 3.1Å; T844-P895 WeakPolarHBondContact OG1-CG 3.13Å; F890-P895 WeakPolarHBondContact CD1-O 3.5Å; P895-L897 PolarHBondContact O-N 3.47Å
896	N	89.1	Confident	92	Very high	88 Å²	88	25.4 Å²	25.4	47%	0.471	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.6	174.8	-63	-0.4	0	0	0	114.2	R894 A911 V912 M1026	R894-N896 PolarHBondContact O-N 3.18Å; N896-A911 CarbonylContact O-C 3.59Å; N896-A911 WeakPolarHBondContact O-CA 3.31Å; N896-V912 PolarHBondContact O-N 3.28Å; N896-M1026 HydrophobicContact CB-CE 4.26Å
897	L	92.6	Very high	92.1	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.3	174.5	-71.2	173.6	0	0	0	111.8	F890 S891 R894 P895 M909 H910 A911 V918 L1022 M1026	F890-L897 WeakPolarHBondContact CA-O 3.42Å; F890-L897 WeakPolarHBondContact CD1-O 3.41Å; S891-L897 PolarHBondContact N-O 2.92Å; R894-L897 HydrophobicContact CB-CD1 4.29Å; R894-L897 PolarHBondContact O-N 2.88Å; P895-L897 PolarHBondContact O-N 3.47Å; L897-M909 HydrophobicContact CD1-SD 4.34Å; L897-M909 HydrophobicContact CD2-CG 4.21Å; L897-M909 HydrophobicContact CD2-SD 4.39Å; L897-H910 WeakPolarHBondContact CA-O 3.47Å; L897-A911 HydrophobicContact CD2-CB 4.36Å; L897-V918 HydrophobicContact CD2-CG2 4.29Å; L897-L1022 HydrophobicContact CD1-CD2 4.13Å; L897-M1026 HydrophobicContact CD1-CE 3.86Å; L897-M1026 HydrophobicContact CD2-CE 3.57Å; L897-M1026 HydrophobicContact CD2-CG 4.38Å; L897-M1026 HydrophobicContact CG-CE 3.39Å
898	F	95.4	Very high	92	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.2	164.8	61.1	-81	0	0	0	111.7	F850 V858 Y873 I888 H889 F890 V900 H910 V912	F850-F898 HydrophobicContact CD1-CE1 4.08Å; F850-F898 HydrophobicContact CD1-CZ 4.04Å; F850-F898 HydrophobicContact CE1-CD1 4.33Å; F850-F898 AromaticContact CE1-CE1 3.73Å; F850-F898 HydrophobicContact CE1-CE1 3.73Å; F850-F898 HydrophobicContact CE1-CZ 4.08Å; V858-F898 HydrophobicContact CG1-CE2 4.4Å; V858-F898 HydrophobicContact CG2-CE2 4.49Å; Y873-F898 HydrophobicContact CD1-CE1 4.34Å; Y873-F898 AromaticContact CD1-CZ 3.79Å; Y873-F898 HydrophobicContact CD1-CZ 3.79Å; Y873-F898 AromaticContact CD2-CZ 3.75Å; Y873-F898 HydrophobicContact CD2-CZ 3.75Å; Y873-F898 HydrophobicContact CE1-CE1 4.03Å; Y873-F898 AromaticContact CE1-CZ 3.89Å; Y873-F898 HydrophobicContact CE1-CZ 3.89Å; Y873-F898 HydrophobicContact CE2-CE1 4.34Å; Y873-F898 AromaticContact CE2-CZ 3.85Å; Y873-F898 HydrophobicContact CE2-CZ 3.85Å; Y873-F898 AromaticContact CG-CZ 3.73Å; Y873-F898 HydrophobicContact CG-CZ 3.73Å; Y873-F898 AromaticContact CZ-CZ 3.94Å; I888-F898 HydrophobicContact CG2-CB 4.4Å; I888-F898 HydrophobicContact CG2-CD2 3.94Å; I888-F898 HydrophobicContact CG2-CG 4.5Å; H889-F898 WeakPolarHBondContact O-CA 3.29Å; F890-F898 HydrophobicContact CD1-CB 3.7Å; F890-F898 HydrophobicContact CD1-CD1 4.4Å; F890-F898 HydrophobicContact CD1-CG 4.45Å; F890-F898 HydrophobicContact CD2-CB 4.47Å; F890-F898 HydrophobicContact CE1-CB 3.78Å; F890-F898 AromaticContact CE1-CD1 3.72Å; F890-F898 HydrophobicContact CE1-CD1 3.72Å; F890-F898 HydrophobicContact CE1-CG 4.05Å; F890-F898 HydrophobicContact CG-CB 4.05Å; F890-F898 HydrophobicContact CZ-CB 4.19Å; F890-F898 HydrophobicContact CZ-CD1 4.13Å; F890-F898 HydrophobicContact CZ-CG 4.28Å; F898-V900 HydrophobicContact CD2-CG2 3.62Å; F898-V900 HydrophobicContact CE2-CG2 3.59Å; F898-H910 HydrophobicContact CD1-CB 4.24Å; F898-H910 HydrophobicContact CD2-CB 4.25Å; F898-H910 HydrophobicContact CE1-CB 3.68Å; F898-H910 HydrophobicContact CE2-CB 3.71Å; F898-H910 HydrophobicContact CG-CB 4.5Å; F898-H910 HydrophobicContact CZ-CB 3.4Å; F898-H910 VanDerWaalsContact CZ-CB 3.4Å; F898-H910 PolarHBondContact N-O 3.26Å; F898-H910 PolarHBondContact O-N 2.89Å; F898-V912 HydrophobicContact CD1-CG2 3.98Å; F898-V912 HydrophobicContact CE1-CG2 4.04Å
899	L	95.6	Very high	91.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	150.2	168.3	-73.6	168.4	0	0	0	109.8	I888 H889 I907 R908 M909 W921 L933 W935 F943	I888-L899 VanDerWaalsContact CA-O 3.29Å; I888-L899 WeakPolarHBondContact CA-O 3.5Å; H889-L899 PolarHBondContact N-O 3.08Å; H889-L899 PolarHBondContact O-N 3.45Å; L899-I907 HydrophobicContact CD2-CG2 4.2Å; L899-R908 CarbonylContact C-O 3.54Å; L899-R908 WeakPolarHBondContact CA-O 3.37Å; L899-M909 HydrophobicContact CD2-CB 3.65Å; L899-M909 HydrophobicContact CD2-CG 4.03Å; L899-M909 HydrophobicContact CD2-SD 4.4Å; L899-W921 HydrophobicContact CD2-CH2 4.4Å; L899-W921 HydrophobicContact CD2-CZ3 3.86Å; L899-L933 HydrophobicContact CB-CD1 4.24Å; L899-L933 HydrophobicContact CB-CD2 3.3Å; L899-L933 HydrophobicContact CB-CG 4.42Å; L899-L933 HydrophobicContact CD1-CD2 3.81Å; L899-L933 HydrophobicContact CG-CD2 4.18Å; L899-W935 HydrophobicContact CD1-CD2 3.89Å; L899-W935 HydrophobicContact CD1-CE3 4.44Å; L899-W935 HydrophobicContact CD1-CG 4.4Å; L899-W935 HydrophobicContact CD1-CH2 4.07Å; L899-W935 HydrophobicContact CD1-CZ2 3.48Å; L899-W935 VanDerWaalsContact CD1-CZ2 3.48Å; L899-W935 HydrophobicContact CD2-CZ2 4.31Å; L899-W935 HydrophobicContact CG-CH2 4.43Å; L899-W935 HydrophobicContact CG-CZ2 3.56Å; L899-F943 HydrophobicContact CD1-CB 3.71Å; L899-F943 HydrophobicContact CD1-CD1 3.74Å; L899-F943 HydrophobicContact CD1-CD2 3.77Å; L899-F943 HydrophobicContact CD1-CE1 4.25Å; L899-F943 HydrophobicContact CD1-CE2 4.27Å; L899-F943 HydrophobicContact CD1-CG 3.47Å; L899-F943 VanDerWaalsContact CD1-CG 3.47Å; L899-F943 HydrophobicContact CD1-CZ 4.49Å
900	V	95.8	Very high	91.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.7	178.5	-172.8	0	0	0	0	108.2	V858 I885 S887 I888 F898 I907 R908	V858-V900 HydrophobicContact CG2-CG1 3.96Å; V858-V900 HydrophobicContact CG2-CG2 3.89Å; I885-V900 HydrophobicContact CD1-CG1 4.21Å; I885-V900 HydrophobicContact CG1-CG1 4.29Å; I885-V900 HydrophobicContact CG2-CG1 3.53Å; S887-V900 WeakPolarHBondContact O-CA 3.04Å; I888-V900 HydrophobicContact CG1-CG1 4.33Å; I888-V900 HydrophobicContact CG1-CG2 4.39Å; F898-V900 HydrophobicContact CD2-CG2 3.62Å; F898-V900 HydrophobicContact CE2-CG2 3.59Å; V900-I907 WeakPolarHBondContact O-CA 3.49Å; V900-R908 HydrophobicContact CB-CB 4.35Å; V900-R908 PolarHBondContact N-O 2.79Å; V900-R908 PolarHBondContact O-N 2.86Å
901	G	94.8	Very high	91.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.1	176.8	0	0	0	0	0	111.7	N886 S887	N886-G901 PolarHBondContact N-O 3.2Å; S887-G901 PolarHBondContact N-O 3.35Å; S887-G901 PolarHBondContact O-N 3.49Å
902	C	93.8	Very high	91.8	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	155.1	-171.2	-67.6	0	0	0	0	113.5	V883 D904 G905 S906 R908 V930	V883-C902 HydrophobicContact CG1-CB 3.9Å; C902-D904 VanDerWaalsContact CB-OD1 3.22Å; C902-D904 WeakPolarHBondContact CB-OD1 3.39Å; C902-D904 PolarHBondContact O-N 2.76Å; C902-G905 PolarHBondContact O-N 3.26Å; C902-S906 WeakPolarHBondContact CB-O 3.4Å; C902-S906 VanDerWaalsContact CB-OG 3.26Å; C902-S906 WeakPolarHBondContact CB-OG 3.45Å; C902-S906 PolarHBondContact N-O 2.8Å; C902-R908 PolarHBondContact SG-NH2 2.91Å; C902-V930 WeakPolarHBondContact O-CB 3.48Å; C902-V930 PolarHBondContact O-N 3.36Å
903	A	92.1	Very high	91.9	Very high	35 Å²	35	21.5 Å²	21.5	29%	0.289	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-4.5	-178.7	0	0	0	0	0	114.9	V883 D884 A929	V883-A903 HydrophobicContact CG1-CB 4.08Å; D884-A903 HydrophobicContact CB-CB 3.9Å; D884-A903 VanDerWaalsContact O-CB 3.29Å; D884-A903 WeakPolarHBondContact O-CB 3.34Å; D884-A903 PolarHBondContact O-N 3.49Å; A903-A929 HydrophobicContact CB-CB 4.39Å; A903-A929 WeakPolarHBondContact O-CA 3.47Å; A903-A929 WeakPolarHBondContact O-CB 3.45Å
904	D	89.6	Confident	92	Very high	43 Å²	43	21.9 Å²	21.9	23%	0.23	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	3	171.4	67.9	-18	0	0	0	113.2	V883 C902 S906	V883-D904 HydrophobicContact CG1-CB 3.9Å; V883-D904 HydrophobicContact CG2-CB 4.21Å; C902-D904 VanDerWaalsContact CB-OD1 3.22Å; C902-D904 WeakPolarHBondContact CB-OD1 3.39Å; C902-D904 PolarHBondContact O-N 2.76Å; D904-S906 VanDerWaalsContact C-N 3.32Å; D904-S906 VanDerWaalsContact OD1-CB 3.27Å; D904-S906 WeakPolarHBondContact OD1-CB 3.32Å; D904-S906 PolarHBondContact OD1-N 2.84Å; D904-S906 PolarHBondContact OD1-OG 3.07Å; D904-S906 PolarHBondContact OD2-OG 3.05Å
905	G	89.4	Confident	92.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	84.3	2.3	-175.7	0	0	0	0	0	114.6	C902 G924 T925 E928	C902-G905 PolarHBondContact O-N 3.26Å; G905-G924 PolarHBondContact O-N 2.81Å; G905-T925 WeakPolarHBondContact CA-OG1 3.5Å; G905-T925 PolarHBondContact O-OG1 3.16Å; G905-E928 VanDerWaalsContact CA-O 3.25Å; G905-E928 WeakPolarHBondContact CA-O 3.45Å
906	S	91.9	Very high	92.3	Very high	7 Å²	7	21.3 Å²	21.3	5%	0.049	12%	0.123	C	C	.	.			trans	-75.1	144.5	172	68.8	0	0	0	0	112	C902 D904 W921	C902-S906 WeakPolarHBondContact CB-O 3.4Å; C902-S906 VanDerWaalsContact CB-OG 3.26Å; C902-S906 WeakPolarHBondContact CB-OG 3.45Å; C902-S906 PolarHBondContact N-O 2.8Å; D904-S906 VanDerWaalsContact C-N 3.32Å; D904-S906 VanDerWaalsContact OD1-CB 3.27Å; D904-S906 WeakPolarHBondContact OD1-CB 3.32Å; D904-S906 PolarHBondContact OD1-N 2.84Å; D904-S906 PolarHBondContact OD1-OG 3.07Å; D904-S906 PolarHBondContact OD2-OG 3.05Å; S906-W921 WeakPolarHBondContact CA-O 3.45Å
907	I	94.6	Very high	92.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.2	172.3	-55.5	157.8	0	0	0	107.4	L899 V900 W921 V930 L933 F943 V945 W955	L899-I907 HydrophobicContact CD2-CG2 4.2Å; V900-I907 WeakPolarHBondContact O-CA 3.49Å; I907-W921 HydrophobicContact CB-CB 4.37Å; I907-W921 HydrophobicContact CB-CE3 3.92Å; I907-W921 HydrophobicContact CG2-CE3 3.72Å; I907-W921 HydrophobicContact CG2-CZ3 4.02Å; I907-W921 PolarHBondContact N-O 2.92Å; I907-W921 VanDerWaalsContact N-O 3.1Å; I907-W921 PolarHBondContact O-N 3.45Å; I907-V930 HydrophobicContact CG1-CG2 4.32Å; I907-L933 HydrophobicContact CG1-CD1 4.32Å; I907-L933 HydrophobicContact CG2-CD1 3.61Å; I907-F943 HydrophobicContact CG2-CE2 4.39Å; I907-V945 HydrophobicContact CD1-CG1 4.32Å; I907-V945 HydrophobicContact CD1-CG2 3.89Å; I907-W955 HydrophobicContact CD1-CZ2 4.01Å
908	R	93.2	Very high	92.4	Very high	6 Å²	6	18 Å²	18	2%	0.023	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.7	176.2	-66.6	173.5	-72	172.6	-5.8	110.7	G856 L899 V900 C902 P917 E920	G856-R908 PolarHBondContact O-NH1 3.2Å; G856-R908 PolarHBondContact O-NH2 2.85Å; L899-R908 CarbonylContact C-O 3.54Å; L899-R908 WeakPolarHBondContact CA-O 3.37Å; V900-R908 HydrophobicContact CB-CB 4.35Å; V900-R908 PolarHBondContact N-O 2.79Å; V900-R908 PolarHBondContact O-N 2.86Å; C902-R908 PolarHBondContact SG-NH2 2.91Å; R908-P917 HydrophobicContact CB-CB 4.46Å; R908-E920 VanDerWaalsContact CD-OE1 3.25Å; R908-E920 WeakPolarHBondContact CD-OE1 3.14Å; R908-E920 HydrophobicContact CG-CB 4.31Å; R908-E920 HydrophobicContact CG-CG 3.85Å; R908-E920 WeakPolarHBondContact CG-OE1 3.17Å
909	M	94	Very high	92.1	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.3	166.1	-172.3	162	59.7	0	0	109.2	L897 L899 P917 V918 A919 W921 W935 M957 I1025	L897-M909 HydrophobicContact CD1-SD 4.34Å; L897-M909 HydrophobicContact CD2-CG 4.21Å; L897-M909 HydrophobicContact CD2-SD 4.39Å; L899-M909 HydrophobicContact CD2-CB 3.65Å; L899-M909 HydrophobicContact CD2-CG 4.03Å; L899-M909 HydrophobicContact CD2-SD 4.4Å; M909-P917 CarbonylContact O-C 3.49Å; M909-P917 VanDerWaalsContact O-CA 3.26Å; M909-P917 WeakPolarHBondContact O-CA 3.33Å; M909-P917 WeakPolarHBondContact O-CB 3.48Å; M909-V918 HydrophobicContact CE-CB 4.46Å; M909-V918 PolarHBondContact O-N 2.59Å; M909-A919 HydrophobicContact CB-CB 4.35Å; M909-A919 HydrophobicContact CE-CB 4.17Å; M909-A919 PolarHBondContact N-O 2.94Å; M909-A919 PolarHBondContact O-N 3.33Å; M909-W921 HydrophobicContact CB-CH2 4.12Å; M909-W921 HydrophobicContact CB-CZ3 3.98Å; M909-W921 HydrophobicContact CE-CH2 4.37Å; M909-W935 HydrophobicContact SD-CH2 3.99Å; M909-W935 HydrophobicContact SD-CZ2 4.04Å; M909-M957 HydrophobicContact CE-SD 4.48Å; M909-I1025 HydrophobicContact CE-CG2 3.61Å
910	H	93.8	Very high	91.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.2	178.7	-73.8	-80.2	0	0	0	111.3	Y873 R874 L897 F898 Q916 P917	Y873-H910 HydrophobicContact CD1-CB 4.2Å; R874-H910 PolarHBondContact O-CE1 2.9Å; R874-H910 VanDerWaalsContact O-CE1 3.29Å; L897-H910 WeakPolarHBondContact CA-O 3.47Å; F898-H910 HydrophobicContact CD1-CB 4.24Å; F898-H910 HydrophobicContact CD2-CB 4.25Å; F898-H910 HydrophobicContact CE1-CB 3.68Å; F898-H910 HydrophobicContact CE2-CB 3.71Å; F898-H910 HydrophobicContact CG-CB 4.5Å; F898-H910 HydrophobicContact CZ-CB 3.4Å; F898-H910 VanDerWaalsContact CZ-CB 3.4Å; F898-H910 PolarHBondContact N-O 3.26Å; F898-H910 PolarHBondContact O-N 2.89Å; H910-Q916 VanDerWaalsContact ND1-C 3.33Å; H910-Q916 PolarHBondContact ND1-O 2.75Å; H910-P917 WeakPolarHBondContact ND1-CA 3.34Å
911	A	93	Very high	91.7	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.033	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	135	165.4	0	0	0	0	0	109.1	N896 L897 S913 H914 V918	N896-A911 CarbonylContact O-C 3.59Å; N896-A911 WeakPolarHBondContact O-CA 3.31Å; L897-A911 HydrophobicContact CD2-CB 4.36Å; A911-S913 PolarHBondContact O-N 2.97Å; A911-H914 PolarHBondContact O-N 2.86Å; A911-H914 VanDerWaalsContact O-O 3.12Å; A911-V918 HydrophobicContact CB-CG2 3.82Å
912	V	92.2	Very high	91.2	Very high	24 Å²	24	26 Å²	26	15%	0.145	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-22	-177.8	171.7	0	0	0	0	113.2	F850 P870 Y873 F890 N896 F898	F850-V912 HydrophobicContact CE1-CG2 4.19Å; F850-V912 HydrophobicContact CZ-CG1 3.94Å; F850-V912 HydrophobicContact CZ-CG2 3.93Å; P870-V912 WeakPolarHBondContact CD-O 3.23Å; Y873-V912 PolarHBondContact OH-O 3.32Å; F890-V912 HydrophobicContact CE1-CG2 3.9Å; N896-V912 PolarHBondContact O-N 3.28Å; F898-V912 HydrophobicContact CD1-CG2 3.98Å; F898-V912 HydrophobicContact CE1-CG2 4.04Å
913	S	90	Very high	90.5	Very high	83 Å²	83	31.3 Å²	31.3	58%	0.58	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.4	178.7	52.3	0	0	0	0	115.6	A911	A911-S913 PolarHBondContact O-N 2.97Å
914	H	88.6	Confident	89.9	Confident	68 Å²	68	30 Å²	30	32%	0.315	17%	0.166	S	C	.	.			trans	-132.3	140.5	-167.5	-58.9	124.4	0	0	0	112	Y873 A911 F1030	Y873-H914 WeakPolarHBondContact CD1-O 3.49Å; Y873-H914 WeakPolarHBondContact CE1-O 3.22Å; A911-H914 PolarHBondContact O-N 2.86Å; A911-H914 VanDerWaalsContact O-O 3.12Å; H914-F1030 HydrophobicContact CB-CE1 3.69Å; H914-F1030 HydrophobicContact CB-CE2 4.09Å; H914-F1030 HydrophobicContact CB-CZ 3.45Å; H914-F1030 VanDerWaalsContact CB-CZ 3.45Å; H914-F1030 AromaticContact CE1-CD2 3.54Å; H914-F1030 AromaticContact CE1-CE2 3.88Å; H914-F1030 AromaticContact CE1-CG 3.7Å; H914-F1030 AromaticContact CG-CE1 3.68Å; H914-F1030 AromaticContact CG-CE2 3.8Å; H914-F1030 AromaticContact CG-CZ 3.57Å; H914-F1030 AromaticContact ND1-CD2 3.35Å; H914-F1030 WeakPolarHBondContact ND1-CD2 3.22Å; H914-F1030 AromaticContact ND1-CE1 3.89Å; H914-F1030 AromaticContact ND1-CE2 3.19Å; H914-F1030 WeakPolarHBondContact ND1-CE2 3.37Å; H914-F1030 AromaticContact ND1-CG 3.78Å; H914-F1030 AromaticContact ND1-CZ 3.48Å; H914-F1030 WeakPolarHBondContact ND1-CZ 3.49Å
915	D	88.6	Confident	89.7	Confident	51 Å²	51	28.4 Å²	28.4	27%	0.273	16%	0.158	S	C	.	.	S	Bend	trans	-78	-24.1	-177.1	73.2	-60.1	0	0	0	113.7	P870 F872 Y873 R874	P870-D915 HydrophobicContact CB-CB 3.78Å; P870-D915 HydrophobicContact CG-CB 4.45Å; F872-D915 WeakPolarHBondContact O-CB 3.37Å; Y873-D915 WeakPolarHBondContact CA-O 3.49Å; R874-D915 IonicContact CZ-OD2 2.74Å; R874-D915 PolarHBondContact N-O 3.43Å; R874-D915 VanDerWaalsContact N-O 3.12Å; R874-D915 IonicContact NE-OD2 2.78Å; R874-D915 PolarHBondContact NE-OD2 2.95Å; R874-D915 IonicContact NH2-OD2 2.86Å; R874-D915 PolarHBondContact NH2-OD2 3.35Å
916	Q	90.1	Very high	89.4	Confident	34 Å²	34	31.1 Å²	31.1	16%	0.159	19%	0.185	C	C	.	.	S	Bend	trans	-81.4	158.7	176.7	-63.4	-55.4	-74.5	0	0	111.7	R874 H910 F1030	R874-Q916 VanDerWaalsContact NE-NE2 3.15Å; H910-Q916 VanDerWaalsContact ND1-C 3.33Å; H910-Q916 PolarHBondContact ND1-O 2.75Å; Q916-F1030 HydrophobicContact CB-CE1 4.46Å
917	P	91.6	Very high	89	Confident	4 Å²	4	32.7 Å²	32.7	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	150.1	168.8	31	-32.4	0	0	0	110.8	Q876 R908 M909 H910 E920	Q876-P917 HydrophobicContact CB-CG 3.88Å; R908-P917 HydrophobicContact CB-CB 4.46Å; M909-P917 CarbonylContact O-C 3.49Å; M909-P917 VanDerWaalsContact O-CA 3.26Å; M909-P917 WeakPolarHBondContact O-CA 3.33Å; M909-P917 WeakPolarHBondContact O-CB 3.48Å; H910-P917 WeakPolarHBondContact ND1-CA 3.34Å; P917-E920 HydrophobicContact CB-CB 4.21Å; P917-E920 HydrophobicContact CG-CB 3.99Å
918	V	91.4	Very high	88.9	Confident	16 Å²	16	37 Å²	37	10%	0.097	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-30.8	166.8	-156	0	0	0	0	110.3	L897 M909 A911 I1025 A1029 F1030	L897-V918 HydrophobicContact CD2-CG2 4.29Å; M909-V918 HydrophobicContact CE-CB 4.46Å; M909-V918 PolarHBondContact O-N 2.59Å; A911-V918 HydrophobicContact CB-CG2 3.82Å; V918-I1025 HydrophobicContact CG1-CG2 3.73Å; V918-I1025 VanDerWaalsContact CG1-O 3.22Å; V918-I1025 WeakPolarHBondContact CG1-O 3.38Å; V918-A1029 HydrophobicContact CB-CB 4.44Å; V918-A1029 HydrophobicContact CG1-CB 3.62Å; V918-F1030 HydrophobicContact CG1-CE2 4.33Å; V918-F1030 HydrophobicContact CG2-CE2 4.16Å
919	A	90.2	Very high	88.9	Confident	23 Å²	23	38 Å²	38	19%	0.19	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	142.9	171.5	0	0	0	0	0	109.8	M909 W921	M909-A919 HydrophobicContact CB-CB 4.35Å; M909-A919 HydrophobicContact CE-CB 4.17Å; M909-A919 PolarHBondContact N-O 2.94Å; M909-A919 PolarHBondContact O-N 3.33Å; A919-W921 HydrophobicContact CB-CH2 3.68Å; A919-W921 HydrophobicContact CB-CZ2 3.71Å; A919-W921 HydrophobicContact CB-CZ3 4.14Å
920	E	90.8	Very high	89	Confident	38 Å²	38	37.9 Å²	37.9	18%	0.178	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	114.7	-178.8	179	157.5	-141.7	0	0	110.8	S875 Q876 R908 P917 M922	S875-E920 VanDerWaalsContact CB-OE1 3.24Å; S875-E920 WeakPolarHBondContact CB-OE1 3.33Å; S875-E920 PolarHBondContact OG-OE1 3.14Å; S875-E920 PolarHBondContact OG-OE2 3.17Å; S875-E920 VanDerWaalsContact OG-OE2 3.1Å; Q876-E920 WeakPolarHBondContact CB-OE2 3.3Å; Q876-E920 PolarHBondContact N-OE2 3.12Å; R908-E920 VanDerWaalsContact CD-OE1 3.25Å; R908-E920 WeakPolarHBondContact CD-OE1 3.14Å; R908-E920 HydrophobicContact CG-CB 4.31Å; R908-E920 HydrophobicContact CG-CG 3.85Å; R908-E920 WeakPolarHBondContact CG-OE1 3.17Å; P917-E920 HydrophobicContact CB-CB 4.21Å; P917-E920 HydrophobicContact CG-CB 3.99Å; E920-M922 HydrophobicContact CG-CE 4.49Å; E920-M922 HydrophobicContact CG-CG 4.11Å
921	W	91.9	Very high	88.9	Confident	25 Å²	25	40.8 Å²	40.8	10%	0.095	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	81.7	-178.6	-55.4	-85.9	0	0	0	109.4	L899 S906 I907 M909 A919 N923 G924 F943 W955 M957 D961	L899-W921 HydrophobicContact CD2-CH2 4.4Å; L899-W921 HydrophobicContact CD2-CZ3 3.86Å; S906-W921 WeakPolarHBondContact CA-O 3.45Å; I907-W921 HydrophobicContact CB-CB 4.37Å; I907-W921 HydrophobicContact CB-CE3 3.92Å; I907-W921 HydrophobicContact CG2-CE3 3.72Å; I907-W921 HydrophobicContact CG2-CZ3 4.02Å; I907-W921 PolarHBondContact N-O 2.92Å; I907-W921 VanDerWaalsContact N-O 3.1Å; I907-W921 PolarHBondContact O-N 3.45Å; M909-W921 HydrophobicContact CB-CH2 4.12Å; M909-W921 HydrophobicContact CB-CZ3 3.98Å; M909-W921 HydrophobicContact CE-CH2 4.37Å; A919-W921 HydrophobicContact CB-CH2 3.68Å; A919-W921 HydrophobicContact CB-CZ2 3.71Å; A919-W921 HydrophobicContact CB-CZ3 4.14Å; W921-N923 PolarHBondContact O-N 3.09Å; W921-N923 VanDerWaalsContact O-N 3.13Å; W921-G924 PolarHBondContact O-N 3.13Å; W921-F943 HydrophobicContact CH2-CE1 4.22Å; W921-F943 HydrophobicContact CH2-CZ 4.13Å; W921-F943 HydrophobicContact CZ3-CZ 4.19Å; W921-W955 HydrophobicContact CB-CH2 4.06Å; W921-W955 AromaticContact CD1-CH2 3.56Å; W921-W955 AromaticContact CD1-CZ3 3.49Å; W921-W955 VanDerWaalsContact CD1-CZ3 3.49Å; W921-W955 HydrophobicContact CD2-CH2 4.43Å; W921-W955 HydrophobicContact CD2-CZ3 4.33Å; W921-W955 AromaticContact CG-CH2 3.77Å; W921-W955 HydrophobicContact CG-CH2 3.77Å; W921-W955 AromaticContact CG-CZ3 3.99Å; W921-W955 HydrophobicContact CG-CZ3 3.99Å; W921-W955 AromaticContact NE1-CZ3 3.53Å; W921-M957 HydrophobicContact CH2-SD 4.35Å; W921-M957 HydrophobicContact CZ2-SD 4.35Å; W921-D961 PolarHBondContact NE1-O 2.95Å
922	M	84.3	Confident	89	Confident	82 Å²	82	41.3 Å²	41.3	40%	0.404	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.8	-172.3	-65	176.5	176.1	0	0	114.8	E877 E920	E877-M922 HydrophobicContact CG-CE 3.62Å; E877-M922 WeakPolarHBondContact OE1-CE 3.47Å; E920-M922 HydrophobicContact CG-CE 4.49Å; E920-M922 HydrophobicContact CG-CG 4.11Å
923	N	80.2	Confident	89.1	Confident	113 Å²	113	40.1 Å²	40.1	60%	0.604	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.9	32.7	-178.8	-164.1	48.1	0	0	0	111.4	W921 T925 G926 G927	W921-N923 PolarHBondContact O-N 3.09Å; W921-N923 VanDerWaalsContact O-N 3.13Å; N923-T925 PolarHBondContact O-N 2.91Å; N923-T925 VanDerWaalsContact O-N 3.17Å; N923-G926 PolarHBondContact O-N 2.95Å; N923-G926 VanDerWaalsContact OD1-CA 3.3Å; N923-G926 WeakPolarHBondContact OD1-CA 3.29Å; N923-G927 PolarHBondContact OD1-N 3.28Å
924	G	79.8	Confident	89.4	Confident	7 Å²	7	37.8 Å²	37.8	7%	0.072	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.1	-170.2	0	0	0	0	0	115.1	G905 W921	G905-G924 PolarHBondContact O-N 2.81Å; W921-G924 PolarHBondContact O-N 3.13Å
925	T	85.3	Confident	89.6	Confident	9 Å²	9	34.6 Å²	34.6	6%	0.055	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	10.1	174.4	57.9	0	0	0	0	113.2	G905 N923 G927 E928 V930 V945 D947	G905-T925 WeakPolarHBondContact CA-OG1 3.5Å; G905-T925 PolarHBondContact O-OG1 3.16Å; N923-T925 PolarHBondContact O-N 2.91Å; N923-T925 VanDerWaalsContact O-N 3.17Å; T925-G927 VanDerWaalsContact C-N 3.3Å; T925-G927 PolarHBondContact O-N 2.71Å; T925-E928 WeakPolarHBondContact CB-O 3.45Å; T925-E928 PolarHBondContact OG1-N 3.24Å; T925-E928 PolarHBondContact OG1-O 3.05Å; T925-V930 HydrophobicContact CG2-CG2 4Å; T925-V945 HydrophobicContact CG2-CG1 4.09Å; T925-D947 HydrophobicContact CG2-CB 3.93Å
926	G	81.9	Confident	89.8	Confident	57 Å²	57	32.2 Å²	32.2	59%	0.588	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.4	14	-172.9	0	0	0	0	0	115.3	N923	N923-G926 PolarHBondContact O-N 2.95Å; N923-G926 VanDerWaalsContact OD1-CA 3.3Å; N923-G926 WeakPolarHBondContact OD1-CA 3.29Å
927	G	84.3	Confident	89.7	Confident	41 Å²	41	31.6 Å²	31.6	42%	0.423	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.5	0.3	179	0	0	0	0	0	114.7	N923 T925	N923-G927 PolarHBondContact OD1-N 3.28Å; T925-G927 VanDerWaalsContact C-N 3.3Å; T925-G927 PolarHBondContact O-N 2.71Å
928	E	92.3	Very high	89.4	Confident	91 Å²	91	31.8 Å²	31.8	43%	0.425	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-82.8	133.1	175.3	-73.4	-69.9	161.4	0	0	111.1	G905 T925 V930 D947 A949	G905-E928 VanDerWaalsContact CA-O 3.25Å; G905-E928 WeakPolarHBondContact CA-O 3.45Å; T925-E928 WeakPolarHBondContact CB-O 3.45Å; T925-E928 PolarHBondContact OG1-N 3.24Å; T925-E928 PolarHBondContact OG1-O 3.05Å; E928-V930 PolarHBondContact O-N 3.02Å; E928-D947 HydrophobicContact CB-CB 3.98Å; E928-D947 WeakPolarHBondContact CB-OD2 3.46Å; E928-A949 HydrophobicContact CB-CB 4.4Å; E928-A949 HydrophobicContact CG-CB 3.79Å
929	A	92.9	Very high	89.3	Confident	26 Å²	26	31.6 Å²	31.6	22%	0.215	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-55.7	131.5	-173.3	0	0	0	0	0	112.9	A903 V931 D947 A948	A903-A929 HydrophobicContact CB-CB 4.39Å; A903-A929 WeakPolarHBondContact O-CA 3.47Å; A903-A929 WeakPolarHBondContact O-CB 3.45Å; A929-V931 PolarHBondContact O-N 3.48Å; A929-D947 CarbonylContact O-C 3.6Å; A929-D947 WeakPolarHBondContact O-CA 3.3Å; A929-A948 HydrophobicContact CB-CB 4.11Å; A929-A948 PolarHBondContact O-N 3.01Å
930	V	94.9	Very high	89.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	124.9	175	178.2	0	0	0	0	109.8	N886 C902 I907 T925 E928 L933 V945	N886-V930 WeakPolarHBondContact CB-O 3.36Å; N886-V930 PolarHBondContact ND2-O 2.79Å; C902-V930 WeakPolarHBondContact O-CB 3.48Å; C902-V930 PolarHBondContact O-N 3.36Å; I907-V930 HydrophobicContact CG1-CG2 4.32Å; T925-V930 HydrophobicContact CG2-CG2 4Å; E928-V930 PolarHBondContact O-N 3.02Å; V930-L933 HydrophobicContact CG1-CB 4.1Å; V930-V945 HydrophobicContact CB-CG1 4.43Å; V930-V945 HydrophobicContact CG1-CG1 3.7Å; V930-V945 HydrophobicContact CG2-CG1 3.99Å
931	V	93.4	Very high	89.1	Confident	61 Å²	61	29 Å²	29	37%	0.37	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-44	178.6	174	0	0	0	0	111.6	A929 L946 A948	A929-V931 PolarHBondContact O-N 3.48Å; V931-L946 HydrophobicContact CB-CD2 4.35Å; V931-L946 HydrophobicContact CB-CG 4.31Å; V931-L946 HydrophobicContact CG1-CD2 4.13Å; V931-L946 PolarHBondContact N-O 2.9Å; V931-A948 HydrophobicContact CG2-CB 4.2Å
932	S	93.9	Very high	89.1	Confident	14 Å²	14	27.8 Å²	27.8	10%	0.098	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	137.1	176.1	-178.9	0	0	0	0	109.4	Q934 V945 L946 M978	S932-Q934 PolarHBondContact OG-NE2 3.32Å; S932-V945 WeakPolarHBondContact O-CA 3.38Å; S932-L946 PolarHBondContact N-O 3.07Å; S932-L946 PolarHBondContact O-N 2.96Å; S932-M978 PolarHBondContact OG-O 3.17Å
933	L	95.4	Very high	89.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.2	174.7	179.2	153.4	0	0	0	108.6	S887 H889 L899 I907 V930 C944 V945	S887-L933 PolarHBondContact OG-N 3.34Å; S887-L933 PolarHBondContact OG-O 3.16Å; H889-L933 HydrophobicContact CB-CD2 4.19Å; L899-L933 HydrophobicContact CB-CD1 4.24Å; L899-L933 HydrophobicContact CB-CD2 3.3Å; L899-L933 HydrophobicContact CB-CG 4.42Å; L899-L933 HydrophobicContact CD1-CD2 3.81Å; L899-L933 HydrophobicContact CG-CD2 4.18Å; I907-L933 HydrophobicContact CG1-CD1 4.32Å; I907-L933 HydrophobicContact CG2-CD1 3.61Å; V930-L933 HydrophobicContact CG1-CB 4.1Å; L933-C944 WeakPolarHBondContact CA-O 3.46Å; L933-V945 HydrophobicContact CD1-CG2 3.89Å; L933-V945 HydrophobicContact CG-CG2 4.08Å
934	Q	95.4	Very high	90.4	Very high	34 Å²	34	18.5 Å²	18.5	16%	0.159	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	140.4	-179.7	-58.2	-173.6	9.5	0	0	111.6	S932 F943 C944 M978 A980	S932-Q934 PolarHBondContact OG-NE2 3.32Å; Q934-F943 WeakPolarHBondContact O-CA 3.41Å; Q934-C944 PolarHBondContact N-O 2.93Å; Q934-C944 PolarHBondContact O-N 3.22Å; Q934-M978 HydrophobicContact CG-CE 4.49Å; Q934-M978 PolarHBondContact NE2-O 3.49Å; Q934-A980 HydrophobicContact CB-CB 4.26Å
935	W	93.8	Very high	91.1	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	148.8	166.8	-71.5	96.5	0	0	0	110.5	H889 P892 L899 M909 P940 F943 M957 L1022	H889-W935 AromaticContact ND1-CD1 3.56Å; H889-W935 PolarHBondContact O-NE1 3.03Å; P892-W935 HydrophobicContact CG-CB 4.3Å; L899-W935 HydrophobicContact CD1-CD2 3.89Å; L899-W935 HydrophobicContact CD1-CE3 4.44Å; L899-W935 HydrophobicContact CD1-CG 4.4Å; L899-W935 HydrophobicContact CD1-CH2 4.07Å; L899-W935 HydrophobicContact CD1-CZ2 3.48Å; L899-W935 VanDerWaalsContact CD1-CZ2 3.48Å; L899-W935 HydrophobicContact CD2-CZ2 4.31Å; L899-W935 HydrophobicContact CG-CH2 4.43Å; L899-W935 HydrophobicContact CG-CZ2 3.56Å; M909-W935 HydrophobicContact SD-CH2 3.99Å; M909-W935 HydrophobicContact SD-CZ2 4.04Å; W935-P940 WeakPolarHBondContact CZ3-O 3.48Å; W935-F943 HydrophobicContact CD2-CB 4.21Å; W935-F943 HydrophobicContact CE3-CB 3.94Å; W935-F943 HydrophobicContact CE3-CD1 4.46Å; W935-F943 HydrophobicContact CH2-CD1 4.38Å; W935-F943 HydrophobicContact CZ3-CB 4.4Å; W935-F943 HydrophobicContact CZ3-CD1 4.08Å; W935-M957 HydrophobicContact CH2-CE 3.74Å; W935-M957 HydrophobicContact CZ3-CE 3.82Å; W935-L1022 HydrophobicContact CH2-CD2 4.3Å
936	T	91.4	Very high	91.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.12	C	C	.	.			trans	-71.5	154.3	169.7	76.1	0	0	0	0	111	R939 V942 F1007	T936-R939 PolarHBondContact OG1-N 2.88Å; T936-R939 PolarHBondContact OG1-O 2.97Å; T936-V942 HydrophobicContact CG2-CB 3.92Å; T936-V942 HydrophobicContact CG2-CG1 3.54Å; T936-V942 PolarHBondContact N-O 3.48Å; T936-V942 PolarHBondContact OG1-O 2.92Å; T936-F1007 HydrophobicContact CG2-CE2 3.78Å; T936-F1007 HydrophobicContact CG2-CZ 3.89Å
937	Q	87.6	Confident	92.2	Very high	22 Å²	22	15 Å²	15	10%	0.103	9%	0.092	C	C	.	.	S	Bend	trans	-90.8	0.2	-177.1	-56.5	-61.4	-29.2	0	0	113.3	G982	Q937-G982 VanDerWaalsContact CB-O 3.26Å; Q937-G982 WeakPolarHBondContact CB-O 3.45Å
938	T	87.2	Confident	92.6	Very high	8 Å²	8	14 Å²	14	5%	0.049	8%	0.079	C	C	.	.	S	Bend	trans	-126.5	-22.9	-176.4	51.9	0	0	0	0	114.8	D983 S991 T1012	T938-D983 WeakPolarHBondContact CG2-O 3.34Å; T938-S991 WeakPolarHBondContact CG2-OG 3.39Å; T938-S991 PolarHBondContact OG1-OG 2.95Å; T938-T1012 WeakPolarHBondContact CB-O 3.3Å; T938-T1012 PolarHBondContact OG1-O 2.98Å
939	R	88.4	Confident	92.5	Very high	11 Å²	11	11.8 Å²	11.8	4%	0.042	8%	0.076	C	C	.	.			trans	-124.7	115.5	-179.3	-78.6	-158.8	63.3	-146.9	-27.9	111.9	T936 A941 V942 D956 S1010 L1011 L1013 E1018	T936-R939 PolarHBondContact OG1-N 2.88Å; T936-R939 PolarHBondContact OG1-O 2.97Å; R939-A941 VanDerWaalsContact C-N 3.31Å; R939-A941 PolarHBondContact O-N 3.33Å; R939-V942 HydrophobicContact CB-CB 3.96Å; R939-V942 HydrophobicContact CB-CG2 3.65Å; R939-V942 HydrophobicContact CG-CG2 4.44Å; R939-V942 VanDerWaalsContact NH2-CG2 3.35Å; R939-V942 PolarHBondContact O-N 3.28Å; R939-D956 IonicContact CZ-OD1 3.16Å; R939-D956 IonicContact CZ-OD2 3.45Å; R939-D956 IonicContact NH1-OD1 2.69Å; R939-D956 PolarHBondContact NH1-OD1 3.39Å; R939-D956 IonicContact NH1-OD2 2.67Å; R939-D956 PolarHBondContact NH1-OD2 3.4Å; R939-D956 IonicContact NH2-OD1 2.85Å; R939-D956 PolarHBondContact NH2-OD1 3.11Å; R939-D956 IonicContact NH2-OD2 3.98Å; R939-S1010 PolarHBondContact NH1-O 3.28Å; R939-L1011 WeakPolarHBondContact CD-O 3.41Å; R939-L1011 VanDerWaalsContact CG-O 3.31Å; R939-L1011 WeakPolarHBondContact CG-O 3.49Å; R939-L1013 VanDerWaalsContact CD-O 3.27Å; R939-L1013 WeakPolarHBondContact CD-O 3.19Å; R939-E1018 WeakPolarHBondContact CB-OE1 3.36Å; R939-E1018 IonicContact CZ-OE1 3.2Å; R939-E1018 IonicContact CZ-OE2 3.29Å; R939-E1018 VanDerWaalsContact NE-CD 3.29Å; R939-E1018 IonicContact NE-OE1 3.07Å; R939-E1018 PolarHBondContact NE-OE1 3.11Å; R939-E1018 VanDerWaalsContact NE-OE1 3.08Å; R939-E1018 IonicContact NE-OE2 3.81Å; R939-E1018 PolarHBondContact NE-OE2 3.43Å; R939-E1018 IonicContact NH2-OE1 3.62Å; R939-E1018 PolarHBondContact NH2-OE1 2.86Å; R939-E1018 IonicContact NH2-OE2 3.28Å
940	P	86.7	Confident	92.6	Very high	6 Å²	6	10.6 Å²	10.6	4%	0.039	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.2	-174.9	-24	30.2	0	0	0	115.5	F893 W935 E1018 E1019 L1022	F893-P940 HydrophobicContact CB-CB 4.07Å; F893-P940 HydrophobicContact CB-CG 4.18Å; F893-P940 HydrophobicContact CD1-CG 3.8Å; F893-P940 HydrophobicContact CD2-CB 3.92Å; F893-P940 HydrophobicContact CD2-CG 3.93Å; F893-P940 HydrophobicContact CE1-CG 4.12Å; F893-P940 HydrophobicContact CE2-CG 4.25Å; F893-P940 HydrophobicContact CG-CB 3.92Å; F893-P940 HydrophobicContact CG-CG 3.7Å; F893-P940 HydrophobicContact CZ-CG 4.34Å; W935-P940 WeakPolarHBondContact CZ3-O 3.48Å; P940-E1018 HydrophobicContact CB-CB 4.08Å; P940-E1018 HydrophobicContact CG-CB 4.16Å; P940-E1019 HydrophobicContact CG-CG 4.39Å; P940-L1022 HydrophobicContact CB-CD1 3.7Å
941	A	90	Very high	92.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	14.3	-174	0	0	0	0	0	113.7	R939 M957 L958 E1018	R939-A941 VanDerWaalsContact C-N 3.31Å; R939-A941 PolarHBondContact O-N 3.33Å; A941-M957 HydrophobicContact CB-CB 4.38Å; A941-M957 HydrophobicContact CB-CE 4.3Å; A941-M957 PolarHBondContact O-N 2.87Å; A941-L958 HydrophobicContact CB-CG 4.49Å; A941-E1018 HydrophobicContact CB-CB 3.85Å; A941-E1018 HydrophobicContact CB-CG 3.83Å; A941-E1018 WeakPolarHBondContact CB-OE1 3.48Å; A941-E1018 PolarHBondContact N-OE1 3.13Å
942	V	92.8	Very high	92.5	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.1	-175.5	-174.9	0	0	0	0	111.2	T936 R939 I954 W955 D956 L1011	T936-V942 HydrophobicContact CG2-CB 3.92Å; T936-V942 HydrophobicContact CG2-CG1 3.54Å; T936-V942 PolarHBondContact N-O 3.48Å; T936-V942 PolarHBondContact OG1-O 2.92Å; R939-V942 HydrophobicContact CB-CB 3.96Å; R939-V942 HydrophobicContact CB-CG2 3.65Å; R939-V942 HydrophobicContact CG-CG2 4.44Å; R939-V942 VanDerWaalsContact NH2-CG2 3.35Å; R939-V942 PolarHBondContact O-N 3.28Å; V942-I954 HydrophobicContact CG1-CG2 4.25Å; V942-W955 VanDerWaalsContact CA-O 3.28Å; V942-W955 WeakPolarHBondContact CA-O 3.18Å; V942-W955 VanDerWaalsContact CG1-O 3.31Å; V942-W955 WeakPolarHBondContact CG1-O 3.35Å; V942-D956 HydrophobicContact CG2-CB 4.16Å; V942-L1011 HydrophobicContact CG1-CD2 4.13Å
943	F	94.8	Very high	92.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	157.2	173.9	66.9	-91.9	0	0	0	111.7	L899 I907 W921 Q934 W935 V945 W955 M957	L899-F943 HydrophobicContact CD1-CB 3.71Å; L899-F943 HydrophobicContact CD1-CD1 3.74Å; L899-F943 HydrophobicContact CD1-CD2 3.77Å; L899-F943 HydrophobicContact CD1-CE1 4.25Å; L899-F943 HydrophobicContact CD1-CE2 4.27Å; L899-F943 HydrophobicContact CD1-CG 3.47Å; L899-F943 VanDerWaalsContact CD1-CG 3.47Å; L899-F943 HydrophobicContact CD1-CZ 4.49Å; I907-F943 HydrophobicContact CG2-CE2 4.39Å; W921-F943 HydrophobicContact CH2-CE1 4.22Å; W921-F943 HydrophobicContact CH2-CZ 4.13Å; W921-F943 HydrophobicContact CZ3-CZ 4.19Å; Q934-F943 WeakPolarHBondContact O-CA 3.41Å; W935-F943 HydrophobicContact CD2-CB 4.21Å; W935-F943 HydrophobicContact CE3-CB 3.94Å; W935-F943 HydrophobicContact CE3-CD1 4.46Å; W935-F943 HydrophobicContact CH2-CD1 4.38Å; W935-F943 HydrophobicContact CZ3-CB 4.4Å; W935-F943 HydrophobicContact CZ3-CD1 4.08Å; F943-V945 HydrophobicContact CD2-CG2 3.78Å; F943-V945 HydrophobicContact CE2-CG2 3.83Å; F943-W955 HydrophobicContact CD1-CB 3.91Å; F943-W955 HydrophobicContact CD2-CB 4.04Å; F943-W955 AromaticContact CD2-CD1 3.92Å; F943-W955 HydrophobicContact CD2-CG 4.07Å; F943-W955 HydrophobicContact CE1-CB 3.59Å; F943-W955 HydrophobicContact CE1-CD2 4.47Å; F943-W955 HydrophobicContact CE1-CG 4.04Å; F943-W955 HydrophobicContact CE2-CB 3.74Å; F943-W955 AromaticContact CE2-CD1 3.4Å; F943-W955 AromaticContact CE2-CD2 3.93Å; F943-W955 HydrophobicContact CE2-CD2 3.93Å; F943-W955 AromaticContact CE2-CG 3.42Å; F943-W955 HydrophobicContact CE2-CG 3.42Å; F943-W955 VanDerWaalsContact CE2-CG 3.42Å; F943-W955 AromaticContact CE2-NE1 3.87Å; F943-W955 HydrophobicContact CG-CB 4.12Å; F943-W955 HydrophobicContact CZ-CB 3.51Å; F943-W955 AromaticContact CZ-CD1 3.89Å; F943-W955 AromaticContact CZ-CD2 3.64Å; F943-W955 HydrophobicContact CZ-CD2 3.64Å; F943-W955 HydrophobicContact CZ-CE3 4.07Å; F943-W955 AromaticContact CZ-CG 3.4Å; F943-W955 HydrophobicContact CZ-CG 3.4Å; F943-W955 VanDerWaalsContact CZ-CG 3.4Å; F943-W955 PolarHBondContact N-O 2.8Å; F943-W955 PolarHBondContact O-N 2.79Å; F943-M957 HydrophobicContact CE1-CG 4.26Å; F943-M957 HydrophobicContact CE1-SD 4.03Å
944	C	95.3	Very high	92.5	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.4	-175.7	-61.2	0	0	0	0	110	L933 Q934 L952 H953 M978 I993	L933-C944 WeakPolarHBondContact CA-O 3.46Å; Q934-C944 PolarHBondContact N-O 2.93Å; Q934-C944 PolarHBondContact O-N 3.22Å; C944-L952 HydrophobicContact CB-CD1 4.3Å; C944-H953 WeakPolarHBondContact CA-O 3.38Å; C944-M978 HydrophobicContact CB-CE 4.11Å; C944-M978 HydrophobicContact CB-SD 4.11Å; C944-I993 HydrophobicContact CB-CD1 4.1Å
945	V	95.8	Very high	92.4	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	122.7	-177.6	-169.1	0	0	0	0	109.5	I907 T925 V930 S932 L933 F943 H953	I907-V945 HydrophobicContact CD1-CG1 4.32Å; I907-V945 HydrophobicContact CD1-CG2 3.89Å; T925-V945 HydrophobicContact CG2-CG1 4.09Å; V930-V945 HydrophobicContact CB-CG1 4.43Å; V930-V945 HydrophobicContact CG1-CG1 3.7Å; V930-V945 HydrophobicContact CG2-CG1 3.99Å; S932-V945 WeakPolarHBondContact O-CA 3.38Å; L933-V945 HydrophobicContact CD1-CG2 3.89Å; L933-V945 HydrophobicContact CG-CG2 4.08Å; F943-V945 HydrophobicContact CD2-CG2 3.78Å; F943-V945 HydrophobicContact CE2-CG2 3.83Å; V945-H953 HydrophobicContact CB-CB 4.39Å; V945-H953 PolarHBondContact N-O 3.39Å; V945-H953 PolarHBondContact O-N 3.22Å
946	L	95.3	Very high	92.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.9	169	175.5	68.2	0	0	0	108.7	V931 S932 V975 M978	V931-L946 HydrophobicContact CB-CD2 4.35Å; V931-L946 HydrophobicContact CB-CG 4.31Å; V931-L946 HydrophobicContact CG1-CD2 4.13Å; V931-L946 PolarHBondContact N-O 2.9Å; S932-L946 PolarHBondContact N-O 3.07Å; S932-L946 PolarHBondContact O-N 2.96Å; L946-V975 HydrophobicContact CD1-CB 3.98Å; L946-V975 HydrophobicContact CD1-CG1 3.91Å; L946-V975 HydrophobicContact CD2-CB 4.39Å; L946-V975 HydrophobicContact CD2-CG1 3.67Å; L946-V975 HydrophobicContact CG-CG1 4.47Å; L946-M978 HydrophobicContact CB-CB 4.23Å; L946-M978 HydrophobicContact CB-CE 4.41Å; L946-M978 HydrophobicContact CB-SD 4.21Å; L946-M978 HydrophobicContact CD2-CB 4.04Å
947	D	94.4	Very high	92.2	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	178.1	174.3	81.6	0.1	0	0	0	112.8	T925 E928 A929 A949 S950 N951 H953	T925-D947 HydrophobicContact CG2-CB 3.93Å; E928-D947 HydrophobicContact CB-CB 3.98Å; E928-D947 WeakPolarHBondContact CB-OD2 3.46Å; A929-D947 CarbonylContact O-C 3.6Å; A929-D947 WeakPolarHBondContact O-CA 3.3Å; D947-A949 VanDerWaalsContact OD1-C 3.31Å; D947-A949 WeakPolarHBondContact OD1-CA 3.33Å; D947-A949 PolarHBondContact OD1-N 2.98Å; D947-S950 PolarHBondContact O-N 2.86Å; D947-S950 PolarHBondContact OD1-N 2.78Å; D947-N951 PolarHBondContact N-O 3.17Å; D947-N951 VanDerWaalsContact N-O 3.1Å; D947-N951 PolarHBondContact OD1-N 2.95Å; D947-N951 WeakPolarHBondContact OD2-CB 3.48Å; D947-N951 PolarHBondContact OD2-ND2 3.34Å; D947-H953 IonicContact OD2-NE2 2.64Å
948	A	92.4	Very high	92.3	Very high	18 Å²	18	9.4 Å²	9.4	15%	0.149	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-30.7	175.3	0	0	0	0	0	113.2	A929 V931 S950 R974	A929-A948 HydrophobicContact CB-CB 4.11Å; A929-A948 PolarHBondContact O-N 3.01Å; V931-A948 HydrophobicContact CG2-CB 4.2Å; A948-S950 PolarHBondContact O-N 3.04Å; A948-S950 VanDerWaalsContact O-N 3.17Å; A948-R974 PolarHBondContact O-NE 2.85Å; A948-R974 PolarHBondContact O-NH2 3.22Å
949	A	91.5	Very high	92.3	Very high	45 Å²	45	15 Å²	15	37%	0.372	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-5.4	175	0	0	0	0	0	113.5	E928 D947 N951	E928-A949 HydrophobicContact CB-CB 4.4Å; E928-A949 HydrophobicContact CG-CB 3.79Å; D947-A949 VanDerWaalsContact OD1-C 3.31Å; D947-A949 WeakPolarHBondContact OD1-CA 3.33Å; D947-A949 PolarHBondContact OD1-N 2.98Å; A949-N951 WeakPolarHBondContact CB-ND2 3.44Å
950	S	93.3	Very high	92.2	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	10%	0.096	C	C	.	.	S	Bend	trans	68.2	39	-174.8	-173.7	0	0	0	0	113.4	D947 A948 F970 R974 V975	D947-S950 PolarHBondContact O-N 2.86Å; D947-S950 PolarHBondContact OD1-N 2.78Å; A948-S950 PolarHBondContact O-N 3.04Å; A948-S950 VanDerWaalsContact O-N 3.17Å; S950-F970 PolarHBondContact O-N 3.2Å; S950-R974 VanDerWaalsContact CB-CG 3.47Å; S950-V975 PolarHBondContact OG-N 2.9Å
951	N	93.1	Very high	92.1	Very high	28 Å²	28	21 Å²	21	15%	0.15	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.2	158.6	-53.4	-60.7	0	0	0	109.9	D947 A949 T967 E968 T969	D947-N951 PolarHBondContact N-O 3.17Å; D947-N951 VanDerWaalsContact N-O 3.1Å; D947-N951 PolarHBondContact OD1-N 2.95Å; D947-N951 WeakPolarHBondContact OD2-CB 3.48Å; D947-N951 PolarHBondContact OD2-ND2 3.34Å; A949-N951 WeakPolarHBondContact CB-ND2 3.44Å; N951-T967 HydrophobicContact CB-CG2 4Å; N951-E968 CarbonylContact C-O 3.54Å; N951-E968 VanDerWaalsContact CA-O 3.3Å; N951-E968 WeakPolarHBondContact CA-O 3.17Å; N951-T969 WeakPolarHBondContact OD1-CB 3.4Å; N951-T969 VanDerWaalsContact OD1-CG2 3.28Å; N951-T969 WeakPolarHBondContact OD1-CG2 3.49Å; N951-T969 PolarHBondContact OD1-OG1 3.18Å
952	L	94.1	Very high	91.9	Very high	1 Å²	1	23 Å²	23	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113	167.5	172.9	60.5	0	0	0	108.8	F598 C944 I954 T967 E968 F970 M978 I993 L995	F598-L952 HydrophobicContact CE1-CD2 3.7Å; F598-L952 HydrophobicContact CE2-CD2 4.29Å; F598-L952 HydrophobicContact CZ-CD2 3.52Å; C944-L952 HydrophobicContact CB-CD1 4.3Å; L952-I954 HydrophobicContact CG-CG1 4.3Å; L952-T967 WeakPolarHBondContact O-CA 3.35Å; L952-E968 PolarHBondContact N-O 3.48Å; L952-E968 PolarHBondContact O-N 2.9Å; L952-F970 HydrophobicContact CB-CE2 3.94Å; L952-M978 HydrophobicContact CD1-SD 3.5Å; L952-M978 WeakPolarHBondContact CD1-SD 3.4Å; L952-I993 HydrophobicContact CD1-CD1 4.33Å; L952-I993 HydrophobicContact CD2-CD1 3.98Å; L952-L995 HydrophobicContact CD2-CD2 4.36Å
953	H	94.1	Very high	91.7	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.046	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.2	175	-52	-82.4	0	0	0	110.1	C944 V945 D947 P964 M966 T967	C944-H953 WeakPolarHBondContact CA-O 3.38Å; V945-H953 HydrophobicContact CB-CB 4.39Å; V945-H953 PolarHBondContact N-O 3.39Å; V945-H953 PolarHBondContact O-N 3.22Å; D947-H953 IonicContact OD2-NE2 2.64Å; H953-P964 HydrophobicContact CB-CB 3.92Å; H953-M966 WeakPolarHBondContact CA-O 3.41Å; H953-T967 WeakPolarHBondContact ND1-CG2 3.43Å; H953-T967 PolarHBondContact ND1-OG1 2.72Å
954	I	94.3	Very high	91.6	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.7	176.7	-58	174.2	0	0	0	108.5	F598 V942 L952 V965 M966 F1007 L1011	F598-I954 HydrophobicContact CB-CD1 3.54Å; F598-I954 HydrophobicContact CD1-CD1 3.7Å; F598-I954 HydrophobicContact CD2-CD1 4Å; F598-I954 HydrophobicContact CE1-CD1 4.37Å; F598-I954 HydrophobicContact CG-CD1 3.49Å; F598-I954 VanDerWaalsContact CG-CD1 3.49Å; V942-I954 HydrophobicContact CG1-CG2 4.25Å; L952-I954 HydrophobicContact CG-CG1 4.3Å; I954-V965 PolarHBondContact O-N 3.39Å; I954-M966 HydrophobicContact CB-CB 4.38Å; I954-M966 PolarHBondContact N-O 3.45Å; I954-M966 PolarHBondContact O-N 2.95Å; I954-F1007 HydrophobicContact CD1-CE1 4.37Å; I954-L1011 HydrophobicContact CD1-CD1 4.45Å; I954-L1011 HydrophobicContact CG2-CD1 4.32Å; I954-L1011 HydrophobicContact CG2-CD2 4.2Å
955	W	93.5	Very high	91.4	Very high	1 Å²	1	34 Å²	34	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.3	-178.1	-65.8	76	0	0	0	109.5	I907 W921 V942 F943 Q963 P964	I907-W955 HydrophobicContact CD1-CZ2 4.01Å; W921-W955 HydrophobicContact CB-CH2 4.06Å; W921-W955 AromaticContact CD1-CH2 3.56Å; W921-W955 AromaticContact CD1-CZ3 3.49Å; W921-W955 VanDerWaalsContact CD1-CZ3 3.49Å; W921-W955 HydrophobicContact CD2-CH2 4.43Å; W921-W955 HydrophobicContact CD2-CZ3 4.33Å; W921-W955 AromaticContact CG-CH2 3.77Å; W921-W955 HydrophobicContact CG-CH2 3.77Å; W921-W955 AromaticContact CG-CZ3 3.99Å; W921-W955 HydrophobicContact CG-CZ3 3.99Å; W921-W955 AromaticContact NE1-CZ3 3.53Å; V942-W955 VanDerWaalsContact CA-O 3.28Å; V942-W955 WeakPolarHBondContact CA-O 3.18Å; V942-W955 VanDerWaalsContact CG1-O 3.31Å; V942-W955 WeakPolarHBondContact CG1-O 3.35Å; F943-W955 HydrophobicContact CD1-CB 3.91Å; F943-W955 HydrophobicContact CD2-CB 4.04Å; F943-W955 AromaticContact CD2-CD1 3.92Å; F943-W955 HydrophobicContact CD2-CG 4.07Å; F943-W955 HydrophobicContact CE1-CB 3.59Å; F943-W955 HydrophobicContact CE1-CD2 4.47Å; F943-W955 HydrophobicContact CE1-CG 4.04Å; F943-W955 HydrophobicContact CE2-CB 3.74Å; F943-W955 AromaticContact CE2-CD1 3.4Å; F943-W955 AromaticContact CE2-CD2 3.93Å; F943-W955 HydrophobicContact CE2-CD2 3.93Å; F943-W955 AromaticContact CE2-CG 3.42Å; F943-W955 HydrophobicContact CE2-CG 3.42Å; F943-W955 VanDerWaalsContact CE2-CG 3.42Å; F943-W955 AromaticContact CE2-NE1 3.87Å; F943-W955 HydrophobicContact CG-CB 4.12Å; F943-W955 HydrophobicContact CZ-CB 3.51Å; F943-W955 AromaticContact CZ-CD1 3.89Å; F943-W955 AromaticContact CZ-CD2 3.64Å; F943-W955 HydrophobicContact CZ-CD2 3.64Å; F943-W955 HydrophobicContact CZ-CE3 4.07Å; F943-W955 AromaticContact CZ-CG 3.4Å; F943-W955 HydrophobicContact CZ-CG 3.4Å; F943-W955 VanDerWaalsContact CZ-CG 3.4Å; F943-W955 PolarHBondContact N-O 2.8Å; F943-W955 PolarHBondContact O-N 2.79Å; W955-Q963 VanDerWaalsContact CZ3-C 3.41Å; W955-P964 HydrophobicContact CD2-CB 4.17Å; W955-P964 HydrophobicContact CG-CB 4.41Å; W955-P964 HydrophobicContact CZ2-CB 4.16Å; W955-P964 HydrophobicContact CZ2-CG 4.22Å
956	D	92.3	Very high	91.1	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.011	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	91.2	179.4	-179.5	-4.9	0	0	0	108.1	R939 V942 L958 K959 D960 V965	R939-D956 IonicContact CZ-OD1 3.16Å; R939-D956 IonicContact CZ-OD2 3.45Å; R939-D956 IonicContact NH1-OD1 2.69Å; R939-D956 PolarHBondContact NH1-OD1 3.39Å; R939-D956 IonicContact NH1-OD2 2.67Å; R939-D956 PolarHBondContact NH1-OD2 3.4Å; R939-D956 IonicContact NH2-OD1 2.85Å; R939-D956 PolarHBondContact NH2-OD1 3.11Å; R939-D956 IonicContact NH2-OD2 3.98Å; V942-D956 HydrophobicContact CG2-CB 4.16Å; D956-L958 PolarHBondContact O-N 3.14Å; D956-K959 HydrophobicContact CB-CD 4.27Å; D956-K959 PolarHBondContact O-N 3.09Å; D956-K959 WeakPolarHBondContact OD2-CD 3.35Å; D956-K959 WeakPolarHBondContact OD2-CE 3.33Å; D956-K959 IonicContact OD2-NZ 2.74Å; D956-K959 PolarHBondContact OD2-NZ 2.82Å; D956-D960 PolarHBondContact O-N 2.86Å; D956-V965 HydrophobicContact CB-CG2 4.15Å
957	M	89.3	Confident	90.9	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	1.4	-166.8	-58.6	-177.4	-67.3	0	0	114.4	M909 W921 W935 A941 F943 D961 K1021 L1022 I1025	M909-M957 HydrophobicContact CE-SD 4.48Å; W921-M957 HydrophobicContact CH2-SD 4.35Å; W921-M957 HydrophobicContact CZ2-SD 4.35Å; W935-M957 HydrophobicContact CH2-CE 3.74Å; W935-M957 HydrophobicContact CZ3-CE 3.82Å; A941-M957 HydrophobicContact CB-CB 4.38Å; A941-M957 HydrophobicContact CB-CE 4.3Å; A941-M957 PolarHBondContact O-N 2.87Å; F943-M957 HydrophobicContact CE1-CG 4.26Å; F943-M957 HydrophobicContact CE1-SD 4.03Å; M957-D961 HydrophobicContact CB-CB 4.48Å; M957-K1021 VanDerWaalsContact O-CE 3.31Å; M957-K1021 WeakPolarHBondContact O-CE 3.41Å; M957-L1022 HydrophobicContact CE-CD2 3.55Å; M957-I1025 HydrophobicContact SD-CD1 4.29Å
958	L	89.4	Confident	90.7	Very high	60 Å²	60	41.3 Å²	41.3	31%	0.314	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-14.6	165.6	-76.3	-170.6	0	0	0	113.8	A941 D956 N1015 A1017 E1018 K1021	A941-L958 HydrophobicContact CB-CG 4.49Å; D956-L958 PolarHBondContact O-N 3.14Å; L958-N1015 HydrophobicContact CD1-CB 4.11Å; L958-N1015 WeakPolarHBondContact CD1-ND2 3.36Å; L958-A1017 HydrophobicContact CD1-CB 4.25Å; L958-A1017 HydrophobicContact CD2-CB 4.24Å; L958-E1018 HydrophobicContact CD1-CB 4.44Å; L958-E1018 HydrophobicContact CD1-CG 3.38Å; L958-E1018 HydrophobicContact CG-CG 3.92Å; L958-K1021 HydrophobicContact CD2-CB 3.69Å; L958-K1021 HydrophobicContact CD2-CG 4.09Å
959	K	87.2	Confident	90.6	Very high	125 Å²	125	43.6 Å²	43.6	54%	0.543	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-48.6	-178.8	-66.3	170	-177.1	146.8	0	111.8	D956 V965	D956-K959 HydrophobicContact CB-CD 4.27Å; D956-K959 PolarHBondContact O-N 3.09Å; D956-K959 WeakPolarHBondContact OD2-CD 3.35Å; D956-K959 WeakPolarHBondContact OD2-CE 3.33Å; D956-K959 IonicContact OD2-NZ 2.74Å; D956-K959 PolarHBondContact OD2-NZ 2.82Å; K959-V965 HydrophobicContact CB-CG2 4.04Å; K959-V965 HydrophobicContact CD-CG1 3.9Å
960	D	86.1	Confident	90.5	Very high	65 Å²	65	42.9 Å²	42.9	35%	0.348	23%	0.233	S	C	.	.			trans	-148.3	127.8	178.7	-163.6	-41.9	0	0	0	107.5	D956 G962 Q963 V965	D956-D960 PolarHBondContact O-N 2.86Å; D960-G962 WeakPolarHBondContact OD1-CA 3.38Å; D960-G962 PolarHBondContact OD1-N 3.45Å; D960-Q963 PolarHBondContact OD1-N 3.33Å; D960-V965 HydrophobicContact CB-CG2 3.84Å
961	D	85.7	Confident	89.8	Confident	78 Å²	78	53.1 Å²	53.1	42%	0.417	27%	0.272	S	S	.	.	S	Bend	trans	-109.3	0.8	177.8	50.8	13.2	0	0	0	112.7	W921 M957 K1021	W921-D961 PolarHBondContact NE1-O 2.95Å; M957-D961 HydrophobicContact CB-CB 4.48Å; D961-K1021 WeakPolarHBondContact OD2-CE 3.41Å; D961-K1021 IonicContact OD2-NZ 3.59Å; D961-K1021 PolarHBondContact OD2-NZ 3.19Å
962	G	84.7	Confident	89.3	Confident	43 Å²	43	60 Å²	60	44%	0.443	31%	0.309	S	S	.	.	S	Bend	trans	-105.5	-28.3	175.8	0	0	0	0	0	114.6	D960	D960-G962 WeakPolarHBondContact OD1-CA 3.38Å; D960-G962 PolarHBondContact OD1-N 3.45Å
963	Q	89.2	Confident	88.9	Confident	134 Å²	134	61.9 Å²	61.9	63%	0.626	32%	0.319	S	S	*	.	S	Bend	trans	-137.1	155.9	-176	-68.4	-167.4	18.4	0	0	113.8	W955 D960 V965	W955-Q963 VanDerWaalsContact CZ3-C 3.41Å; D960-Q963 PolarHBondContact OD1-N 3.33Å; Q963-V965 PolarHBondContact O-N 3.41Å
964	P	91.9	Very high	88.8	Confident	35 Å²	35	67.4 Å²	67.4	23%	0.227	34%	0.339	C	S	.	.			trans	-67	119	175.1	27.2	-33.1	0	0	0	110.7	H953 W955 M966	H953-P964 HydrophobicContact CB-CB 3.92Å; W955-P964 HydrophobicContact CD2-CB 4.17Å; W955-P964 HydrophobicContact CG-CB 4.41Å; W955-P964 HydrophobicContact CZ2-CB 4.16Å; W955-P964 HydrophobicContact CZ2-CG 4.22Å; P964-M966 PolarHBondContact O-N 3.16Å; P964-M966 VanDerWaalsContact O-N 3.1Å
965	V	91.3	Very high	88.7	Confident	61 Å²	61	67.5 Å²	67.5	37%	0.37	34%	0.34	S	S	.	.	S	Bend	trans	-59.6	-23.1	179.7	174.2	0	0	0	0	112.4	I954 D956 K959 D960 Q963	I954-V965 PolarHBondContact O-N 3.39Å; D956-V965 HydrophobicContact CB-CG2 4.15Å; K959-V965 HydrophobicContact CB-CG2 4.04Å; K959-V965 HydrophobicContact CD-CG1 3.9Å; D960-V965 HydrophobicContact CB-CG2 3.84Å; Q963-V965 PolarHBondContact O-N 3.41Å
966	M	90.3	Very high	88.7	Confident	49 Å²	49	68.4 Å²	68.4	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	146	174.7	-170.2	177.2	-73.8	0	0	111.1	S597 F598 H953 I954 P964 E968	S597-M966 WeakPolarHBondContact OG-CE 3.47Å; S597-M966 PolarHBondContact OG-SD 3.25Å; F598-M966 HydrophobicContact CB-CE 4.41Å; F598-M966 HydrophobicContact CB-SD 3.52Å; F598-M966 VanDerWaalsContact CB-SD 3.52Å; F598-M966 HydrophobicContact CD1-SD 4.04Å; F598-M966 HydrophobicContact CG-SD 4.29Å; F598-M966 PolarHBondContact N-SD 2.84Å; H953-M966 WeakPolarHBondContact CA-O 3.41Å; I954-M966 HydrophobicContact CB-CB 4.38Å; I954-M966 PolarHBondContact N-O 3.45Å; I954-M966 PolarHBondContact O-N 2.95Å; P964-M966 PolarHBondContact O-N 3.16Å; P964-M966 VanDerWaalsContact O-N 3.1Å; M966-E968 HydrophobicContact CG-CG 4.44Å
967	T	91.8	Very high	88.7	Confident	63 Å²	63	68.7 Å²	68.7	39%	0.387	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	125.7	172.9	-63.4	0	0	0	0	109.3	N951 L952 H953	N951-T967 HydrophobicContact CB-CG2 4Å; L952-T967 WeakPolarHBondContact O-CA 3.35Å; H953-T967 WeakPolarHBondContact ND1-CG2 3.43Å; H953-T967 PolarHBondContact ND1-OG1 2.72Å
968	E	89.8	Confident	89	Confident	43 Å²	43	68.8 Å²	68.8	20%	0.201	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.7	-179.1	-73	-74.8	-169.8	0	0	111	S597 F598 N951 L952 M966	S597-E968 WeakPolarHBondContact CB-OE1 3.4Å; S597-E968 PolarHBondContact N-OE1 2.88Å; S597-E968 PolarHBondContact OG-OE1 2.93Å; F598-E968 HydrophobicContact CD1-CG 3.92Å; F598-E968 HydrophobicContact CE1-CB 4.28Å; F598-E968 HydrophobicContact CE1-CG 3.94Å; N951-E968 CarbonylContact C-O 3.54Å; N951-E968 VanDerWaalsContact CA-O 3.3Å; N951-E968 WeakPolarHBondContact CA-O 3.17Å; L952-E968 PolarHBondContact N-O 3.48Å; L952-E968 PolarHBondContact O-N 2.9Å; M966-E968 HydrophobicContact CG-CG 4.44Å
969	T	90.1	Very high	89.2	Confident	65 Å²	65	66 Å²	66	40%	0.399	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.7	-172.3	-53	0	0	0	0	112.6	N951 R971	N951-T969 WeakPolarHBondContact OD1-CB 3.4Å; N951-T969 VanDerWaalsContact OD1-CG2 3.28Å; N951-T969 WeakPolarHBondContact OD1-CG2 3.49Å; N951-T969 PolarHBondContact OD1-OG1 3.18Å; T969-R971 HydrophobicContact CG2-CG 3.88Å; T969-R971 PolarHBondContact O-N 3Å
970	F	88.1	Confident	89.5	Confident	30 Å²	30	60.4 Å²	60.4	13%	0.132	31%	0.311	C	S	.	.			trans	-89.8	93.2	179.1	-58.5	-88.2	0	0	0	111.6	L596 S950 L952 V975 L995	L596-F970 HydrophobicContact CD1-CE1 3.79Å; L596-F970 HydrophobicContact CD1-CZ 3.83Å; L596-F970 HydrophobicContact CD2-CE1 3.92Å; L596-F970 HydrophobicContact CD2-CZ 4.2Å; S950-F970 PolarHBondContact O-N 3.2Å; L952-F970 HydrophobicContact CB-CE2 3.94Å; F970-V975 HydrophobicContact CB-CG2 4.04Å; F970-V975 HydrophobicContact CD1-CG2 4.29Å; F970-V975 HydrophobicContact CD2-CG2 3.61Å; F970-V975 HydrophobicContact CE2-CG2 4.13Å; F970-V975 HydrophobicContact CG-CG2 3.71Å; F970-L995 HydrophobicContact CE1-CD1 3.96Å; F970-L995 HydrophobicContact CE2-CD1 4.13Å; F970-L995 HydrophobicContact CZ-CD1 3.48Å; F970-L995 VanDerWaalsContact CZ-CD1 3.48Å
971	R	80.2	Confident	89.7	Confident	216 Å²	216	57.5 Å²	57.5	82%	0.815	30%	0.296	S	S	*	.			trans	-80.9	-38.2	-171.9	-62.7	-174.1	-179.7	-161	-1.7	115.1	T969	T969-R971 HydrophobicContact CG2-CG 3.88Å; T969-R971 PolarHBondContact O-N 3Å
972	D	81.6	Confident	89.6	Confident	174 Å²	174	54 Å²	54	93%	0.93	28%	0.278	S	S	*	.	S	Bend	trans	-83.8	-30	-170.8	-63.5	-32.1	0	0	0	113.4
973	D	86.9	Confident	89.2	Confident	40 Å²	40	54.1 Å²	54.1	21%	0.214	27%	0.269	C	S	.	.	S	Bend	trans	-146.5	96.6	-177.2	-167.6	6.8	0	0	0	109.9	V975 H997 S999 N1001	D973-V975 PolarHBondContact O-N 3.42Å; D973-H997 HydrophobicContact CB-CB 4.43Å; D973-H997 VanDerWaalsContact CG-CB 3.5Å; D973-H997 PolarHBondContact O-ND1 2.81Å; D973-H997 WeakPolarHBondContact OD2-CB 3.43Å; D973-H997 IonicContact OD2-CG 2.97Å; D973-S999 WeakPolarHBondContact OD1-CB 3.19Å; D973-S999 PolarHBondContact OD1-N 3.37Å; D973-S999 VanDerWaalsContact OD1-N 3.1Å; D973-S999 PolarHBondContact OD1-OG 2.83Å; D973-S999 WeakPolarHBondContact OD2-CB 3.33Å; D973-S999 PolarHBondContact OD2-OG 3.18Å; D973-N1001 PolarHBondContact OD2-ND2 2.93Å
974	R	90.8	Very high	88.1	Confident	126 Å²	126	51.3 Å²	51.3	48%	0.475	26%	0.264	S	S	.	.			trans	-55.2	125.7	-173.6	-165.8	-164.8	-169.4	-164.3	17.3	110.9	A948 S950 K998	A948-R974 PolarHBondContact O-NE 2.85Å; A948-R974 PolarHBondContact O-NH2 3.22Å; S950-R974 VanDerWaalsContact CB-CG 3.47Å; R974-K998 HydrophobicContact CB-CB 4.49Å; R974-K998 WeakPolarHBondContact O-CB 3.44Å; R974-K998 PolarHBondContact O-N 3.46Å
975	V	93.2	Very high	86.7	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.03	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	136.3	170.6	-177.5	0	0	0	0	108.8	L946 S950 F970 D973 L995 A996	L946-V975 HydrophobicContact CD1-CB 3.98Å; L946-V975 HydrophobicContact CD1-CG1 3.91Å; L946-V975 HydrophobicContact CD2-CB 4.39Å; L946-V975 HydrophobicContact CD2-CG1 3.67Å; L946-V975 HydrophobicContact CG-CG1 4.47Å; S950-V975 PolarHBondContact OG-N 2.9Å; F970-V975 HydrophobicContact CB-CG2 4.04Å; F970-V975 HydrophobicContact CD1-CG2 4.29Å; F970-V975 HydrophobicContact CD2-CG2 3.61Å; F970-V975 HydrophobicContact CE2-CG2 4.13Å; F970-V975 HydrophobicContact CG-CG2 3.71Å; D973-V975 PolarHBondContact O-N 3.42Å; V975-L995 HydrophobicContact CG1-CB 4.37Å; V975-L995 HydrophobicContact CG1-CD2 4.18Å; V975-A996 CarbonylContact C-O 3.5Å; V975-A996 WeakPolarHBondContact CA-O 3.15Å; V975-A996 WeakPolarHBondContact CG1-O 3.34Å
976	T	91.8	Very high	84.7	Confident	20 Å²	20	58.1 Å²	58.1	12%	0.123	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-28.1	-179.2	56.2	0	0	0	0	113.2	Q616 I617 A996 K998	Q616-T976 HydrophobicContact CG-CG2 4.18Å; I617-T976 WeakPolarHBondContact O-CB 3.35Å; I617-T976 PolarHBondContact O-OG1 3.01Å; T976-A996 PolarHBondContact N-O 3.19Å; T976-A996 PolarHBondContact OG1-O 3.5Å; T976-K998 HydrophobicContact CG2-CB 3.76Å; T976-K998 HydrophobicContact CG2-CG 4.23Å
977	A	93	Very high	82.8	Confident	8 Å²	8	64.7 Å²	64.7	7%	0.066	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	152.1	175.7	0	0	0	0	0	111.3	V620 A996	V620-A977 HydrophobicContact CG2-CB 4.35Å; A977-A996 HydrophobicContact CB-CB 4.26Å; A977-A996 PolarHBondContact N-O 2.88Å; A977-A996 PolarHBondContact O-N 2.88Å
978	M	95.1	Very high	81	Confident	4 Å²	4	66 Å²	66	2%	0.02	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.8	-177.7	179.2	-171.7	70.8	0	0	109.7	S932 Q934 C944 L946 L952 I993 A994 L995	S932-M978 PolarHBondContact OG-O 3.17Å; Q934-M978 HydrophobicContact CG-CE 4.49Å; Q934-M978 PolarHBondContact NE2-O 3.49Å; C944-M978 HydrophobicContact CB-CE 4.11Å; C944-M978 HydrophobicContact CB-SD 4.11Å; L946-M978 HydrophobicContact CB-CB 4.23Å; L946-M978 HydrophobicContact CB-CE 4.41Å; L946-M978 HydrophobicContact CB-SD 4.21Å; L946-M978 HydrophobicContact CD2-CB 4.04Å; L952-M978 HydrophobicContact CD1-SD 3.5Å; L952-M978 WeakPolarHBondContact CD1-SD 3.4Å; M978-I993 HydrophobicContact CG-CG2 3.37Å; M978-I993 HydrophobicContact SD-CD1 4.48Å; M978-I993 HydrophobicContact SD-CG2 4.06Å; M978-A994 WeakPolarHBondContact CA-O 3.43Å; M978-L995 HydrophobicContact CB-CD2 4.47Å; M978-L995 HydrophobicContact CG-CD2 4.14Å
979	A	94.4	Very high	79.6	Confident	2 Å²	2	68.9 Å²	68.9	2%	0.017	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	124.3	169.9	0	0	0	0	0	112	V620 F622 A994	V620-A979 HydrophobicContact CB-CB 4.29Å; V620-A979 HydrophobicContact CG1-CB 3.91Å; F622-A979 HydrophobicContact CD2-CB 3.8Å; F622-A979 HydrophobicContact CE2-CB 4Å; A979-A994 PolarHBondContact N-O 3.25Å; A979-A994 PolarHBondContact O-N 2.92Å
980	A	92.4	Very high	78.7	Confident	7 Å²	7	67.5 Å²	67.5	6%	0.058	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	140.2	174.3	0	0	0	0	0	110.8	Q934	Q934-A980 HydrophobicContact CB-CB 4.26Å
981	F	90.4	Very high	78.6	Confident	5 Å²	5	66.1 Å²	66.1	2%	0.022	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153.4	173.8	63.3	-96.8	0	0	0	110.4	F622 Y990 S991 G992 I993 L1004 Y1006	F622-F981 HydrophobicContact CD1-CB 3.92Å; F622-F981 HydrophobicContact CD2-CB 3.85Å; F622-F981 HydrophobicContact CE1-CB 3.77Å; F622-F981 HydrophobicContact CE1-CD1 4.15Å; F622-F981 HydrophobicContact CE1-CG 4.12Å; F622-F981 HydrophobicContact CE2-CB 3.72Å; F622-F981 AromaticContact CE2-CD1 3.61Å; F622-F981 HydrophobicContact CE2-CD1 3.61Å; F622-F981 HydrophobicContact CE2-CG 4.1Å; F622-F981 HydrophobicContact CG-CB 3.96Å; F622-F981 HydrophobicContact CZ-CB 3.68Å; F622-F981 AromaticContact CZ-CD1 3.37Å; F622-F981 HydrophobicContact CZ-CD1 3.37Å; F622-F981 HydrophobicContact CZ-CE1 4.25Å; F622-F981 AromaticContact CZ-CG 3.78Å; F622-F981 HydrophobicContact CZ-CG 3.78Å; F981-Y990 AromaticContact CD2-CD1 3.79Å; F981-Y990 HydrophobicContact CD2-CD1 3.79Å; F981-Y990 AromaticContact CD2-CE1 3.63Å; F981-Y990 HydrophobicContact CD2-CE1 3.63Å; F981-Y990 AromaticContact CE2-CD1 3.61Å; F981-Y990 HydrophobicContact CE2-CD1 3.61Å; F981-Y990 AromaticContact CE2-CE1 3.32Å; F981-Y990 HydrophobicContact CE2-CE1 3.32Å; F981-Y990 HydrophobicContact CZ-CE1 4.2Å; F981-S991 WeakPolarHBondContact O-CA 3.11Å; F981-S991 PolarHBondContact O-OG 3.1Å; F981-G992 VanDerWaalsContact CE1-C 3.45Å; F981-G992 PolarHBondContact N-O 3.31Å; F981-G992 PolarHBondContact O-N 3.49Å; F981-G992 VanDerWaalsContact O-O 3.1Å; F981-I993 VanDerWaalsContact CE1-C 3.45Å; F981-I993 VanDerWaalsContact CE1-N 3.32Å; F981-L1004 HydrophobicContact CD1-CD2 4.38Å; F981-L1004 HydrophobicContact CE1-CB 4.02Å; F981-L1004 HydrophobicContact CE1-CD2 3.78Å; F981-L1004 HydrophobicContact CE1-CG 4.02Å; F981-L1004 HydrophobicContact CZ-CB 4.19Å; F981-L1004 HydrophobicContact CZ-CD2 4.07Å; F981-Y1006 AromaticContact CE2-CD1 3.82Å; F981-Y1006 HydrophobicContact CE2-CD1 3.82Å; F981-Y1006 AromaticContact CE2-CE1 3.68Å; F981-Y1006 HydrophobicContact CE2-CE1 3.68Å; F981-Y1006 AromaticContact CZ-CD1 3.69Å; F981-Y1006 HydrophobicContact CZ-CD1 3.69Å; F981-Y1006 AromaticContact CZ-CE1 3.49Å; F981-Y1006 HydrophobicContact CZ-CE1 3.49Å; F981-Y1006 VanDerWaalsContact CZ-CE1 3.49Å
982	G	83.9	Confident	79.1	Confident	4 Å²	4	55.8 Å²	55.8	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.7	159.8	172.7	0	0	0	0	0	112.7	K627 Q937 Y990	K627-G982 WeakPolarHBondContact CD-O 3.28Å; K627-G982 PolarHBondContact NZ-O 3.2Å; Q937-G982 VanDerWaalsContact CB-O 3.26Å; Q937-G982 WeakPolarHBondContact CB-O 3.45Å; G982-Y990 WeakPolarHBondContact CA-O 3.21Å
983	D	77.7	Confident	79.6	Confident	46 Å²	46	47.5 Å²	47.5	25%	0.246	25%	0.252	C	S	.	.			trans	-122	121.8	179.5	-167.8	31.6	0	0	0	112.5	K627 T938 G985 N988	K627-D983 HydrophobicContact CD-CB 3.94Å; K627-D983 IonicContact NZ-OD1 2.64Å; K627-D983 PolarHBondContact NZ-OD1 3.42Å; T938-D983 WeakPolarHBondContact CG2-O 3.34Å; D983-G985 PolarHBondContact O-N 3.27Å; D983-N988 HydrophobicContact CB-CB 3.88Å; D983-N988 PolarHBondContact OD2-ND2 3.21Å
984	S	66.1	Low	79.9	Confident	75 Å²	75	45.6 Å²	45.6	52%	0.524	24%	0.242	S	C	.	.			trans	-77.4	-1	178.2	48.7	0	0	0	0	113.4
985	G	62	Low	80	Confident	36 Å²	36	39.6 Å²	39.6	37%	0.371	22%	0.219	S	C	.	.	S	Bend	trans	-63.3	134.4	171.7	0	0	0	0	0	112.3	D983 Q987 N988	D983-G985 PolarHBondContact O-N 3.27Å; G985-Q987 PolarHBondContact O-N 2.94Å; G985-N988 PolarHBondContact O-N 2.9Å; G985-N988 VanDerWaalsContact O-N 3.12Å
986	Q	49.7	Very low	80.1	Confident	203 Å²	203	39.4 Å²	39.4	95%	0.949	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	5.3	-167.6	-67.2	-124.4	-31	0	0	117.8
987	Q	50.5	Low	80	Confident	187 Å²	187	39.1 Å²	39.1	87%	0.874	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.3	-5	178.4	-62.7	-166.9	-4.2	0	0	114.7	G985	G985-Q987 PolarHBondContact O-N 2.94Å
988	N	53.4	Low	79.9	Confident	89 Å²	89	44 Å²	44	48%	0.476	24%	0.235	S	C	.	.			trans	-97.9	100.4	-178	-88.5	-30.4	0	0	0	112	D983 G985 Y990	D983-N988 HydrophobicContact CB-CB 3.88Å; D983-N988 PolarHBondContact OD2-ND2 3.21Å; G985-N988 PolarHBondContact O-N 2.9Å; G985-N988 VanDerWaalsContact O-N 3.12Å; N988-Y990 PolarHBondContact O-N 2.95Å; N988-Y990 VanDerWaalsContact O-N 3.12Å
989	T	59.1	Low	79.5	Confident	105 Å²	105	46.1 Å²	46.1	64%	0.644	25%	0.25	S	S	*	.			trans	-75.2	10.9	171.1	-27.2	0	0	0	0	113.2	S991 T1012	T989-S991 PolarHBondContact O-N 3.26Å; T989-T1012 HydrophobicContact CG2-CG2 4.02Å
990	Y	72.8	Confident	79.1	Confident	35 Å²	35	46.2 Å²	46.2	14%	0.137	25%	0.252	C	S	.	.			trans	-91.4	94.4	-174.2	-164.2	-80.1	0	0	0	109.7	I656 W657 F981 G982 N988 Y1006	I656-Y990 HydrophobicContact CD1-CD1 4.44Å; I656-Y990 HydrophobicContact CD1-CE1 3.37Å; I656-Y990 VanDerWaalsContact CD1-OH 3.24Å; I656-Y990 WeakPolarHBondContact CD1-OH 3.42Å; I656-Y990 HydrophobicContact CG1-CE1 4.34Å; I656-Y990 WeakPolarHBondContact CG1-OH 3.4Å; W657-Y990 HydrophobicContact CE3-CE2 4.45Å; W657-Y990 AromaticContact CH2-CD2 3.39Å; W657-Y990 HydrophobicContact CH2-CD2 3.39Å; W657-Y990 AromaticContact CH2-CE2 3.28Å; W657-Y990 HydrophobicContact CH2-CE2 3.28Å; W657-Y990 HydrophobicContact CH2-CG 4.13Å; W657-Y990 AromaticContact CH2-CZ 3.98Å; W657-Y990 HydrophobicContact CZ2-CD2 4.2Å; W657-Y990 HydrophobicContact CZ2-CE2 4.08Å; W657-Y990 HydrophobicContact CZ3-CD2 4Å; W657-Y990 AromaticContact CZ3-CE2 3.5Å; W657-Y990 HydrophobicContact CZ3-CE2 3.5Å; F981-Y990 AromaticContact CD2-CD1 3.79Å; F981-Y990 HydrophobicContact CD2-CD1 3.79Å; F981-Y990 AromaticContact CD2-CE1 3.63Å; F981-Y990 HydrophobicContact CD2-CE1 3.63Å; F981-Y990 AromaticContact CE2-CD1 3.61Å; F981-Y990 HydrophobicContact CE2-CD1 3.61Å; F981-Y990 AromaticContact CE2-CE1 3.32Å; F981-Y990 HydrophobicContact CE2-CE1 3.32Å; F981-Y990 HydrophobicContact CZ-CE1 4.2Å; G982-Y990 WeakPolarHBondContact CA-O 3.21Å; N988-Y990 PolarHBondContact O-N 2.95Å; N988-Y990 VanDerWaalsContact O-N 3.12Å; Y990-Y1006 HydrophobicContact CD1-CE1 4.38Å; Y990-Y1006 HydrophobicContact CD2-CE1 4.16Å; Y990-Y1006 AromaticContact CE1-CE1 3.75Å; Y990-Y1006 HydrophobicContact CE1-CE1 3.75Å; Y990-Y1006 HydrophobicContact CE2-CD1 4.38Å; Y990-Y1006 AromaticContact CE2-CE1 3.54Å; Y990-Y1006 HydrophobicContact CE2-CE1 3.54Å; Y990-Y1006 AromaticContact CE2-CZ 3.93Å; Y990-Y1006 AromaticContact CZ-CE1 3.33Å; Y990-Y1006 AromaticContact CZ-CZ 3.83Å; Y990-Y1006 WeakPolarHBondContact OH-CE1 3.37Å; Y990-Y1006 PolarHBondContact OH-OH 3.33Å
991	S	85.8	Confident	79	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.1	178.1	-162.6	0	0	0	0	109.8	T938 F981 T989 F1007	T938-S991 WeakPolarHBondContact CG2-OG 3.39Å; T938-S991 PolarHBondContact OG1-OG 2.95Å; F981-S991 WeakPolarHBondContact O-CA 3.11Å; F981-S991 PolarHBondContact O-OG 3.1Å; T989-S991 PolarHBondContact O-N 3.26Å; S991-F1007 PolarHBondContact O-N 3.06Å
992	G	89.4	Confident	79.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	-162.9	-173.9	0	0	0	0	0	114.8	F981 Q1005 F1007	F981-G992 VanDerWaalsContact CE1-C 3.45Å; F981-G992 PolarHBondContact N-O 3.31Å; F981-G992 PolarHBondContact O-N 3.49Å; F981-G992 VanDerWaalsContact O-O 3.1Å; G992-Q1005 CarbonylContact C-O 3.49Å; G992-Q1005 WeakPolarHBondContact CA-O 3.48Å; G992-F1007 VanDerWaalsContact CA-CD2 3.45Å
993	I	92.8	Very high	79.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.3	-177.7	-55.9	175.5	0	0	0	109.4	C944 L952 M978 F981 L995 L1004 Q1005 F1007	C944-I993 HydrophobicContact CB-CD1 4.1Å; L952-I993 HydrophobicContact CD1-CD1 4.33Å; L952-I993 HydrophobicContact CD2-CD1 3.98Å; M978-I993 HydrophobicContact CG-CG2 3.37Å; M978-I993 HydrophobicContact SD-CD1 4.48Å; M978-I993 HydrophobicContact SD-CG2 4.06Å; F981-I993 VanDerWaalsContact CE1-C 3.45Å; F981-I993 VanDerWaalsContact CE1-N 3.32Å; I993-L995 HydrophobicContact CG2-CD2 3.65Å; I993-L995 HydrophobicContact CG2-CG 4.17Å; I993-L1004 WeakPolarHBondContact O-CA 3.24Å; I993-Q1005 PolarHBondContact N-O 2.91Å; I993-Q1005 PolarHBondContact O-N 3.16Å; I993-F1007 HydrophobicContact CD1-CE1 3.73Å; I993-F1007 HydrophobicContact CD1-CZ 3.68Å; I993-F1007 HydrophobicContact CG1-CE1 3.85Å; I993-F1007 HydrophobicContact CG1-CE2 4.26Å; I993-F1007 HydrophobicContact CG1-CZ 3.49Å; I993-F1007 VanDerWaalsContact CG1-CZ 3.49Å
994	A	93.6	Very high	80	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123	162.1	0	0	0	0	0	109.5	V620 F622 M630 M978 A979 E1003 L1004	V620-A994 HydrophobicContact CG1-CB 4.17Å; F622-A994 HydrophobicContact CE2-CB 3.65Å; F622-A994 HydrophobicContact CZ-CB 3.91Å; M630-A994 HydrophobicContact SD-CB 3.76Å; M978-A994 WeakPolarHBondContact CA-O 3.43Å; A979-A994 PolarHBondContact N-O 3.25Å; A979-A994 PolarHBondContact O-N 2.92Å; A994-E1003 WeakPolarHBondContact CA-O 3.42Å; A994-L1004 HydrophobicContact CB-CG 4.2Å
995	L	93.6	Very high	81.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126	174.5	-59	176.1	0	0	0	108.6	L952 F970 V975 M978 I993 I1002 E1003 Q1005	L952-L995 HydrophobicContact CD2-CD2 4.36Å; F970-L995 HydrophobicContact CE1-CD1 3.96Å; F970-L995 HydrophobicContact CE2-CD1 4.13Å; F970-L995 HydrophobicContact CZ-CD1 3.48Å; F970-L995 VanDerWaalsContact CZ-CD1 3.48Å; V975-L995 HydrophobicContact CG1-CB 4.37Å; V975-L995 HydrophobicContact CG1-CD2 4.18Å; M978-L995 HydrophobicContact CB-CD2 4.47Å; M978-L995 HydrophobicContact CG-CD2 4.14Å; I993-L995 HydrophobicContact CG2-CD2 3.65Å; I993-L995 HydrophobicContact CG2-CG 4.17Å; L995-I1002 WeakPolarHBondContact O-CA 3.31Å; L995-E1003 PolarHBondContact N-O 2.91Å; L995-E1003 PolarHBondContact O-N 3.34Å; L995-Q1005 HydrophobicContact CD1-CG 4.03Å
996	A	93.7	Very high	82.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.7	170	0	0	0	0	0	110	I617 V620 V975 T976 A977 I1002	I617-A996 HydrophobicContact CB-CB 3.91Å; I617-A996 HydrophobicContact CD1-CB 3.8Å; I617-A996 HydrophobicContact CG1-CB 4.47Å; I617-A996 HydrophobicContact CG2-CB 3.56Å; V620-A996 HydrophobicContact CG2-CB 3.53Å; V975-A996 CarbonylContact C-O 3.5Å; V975-A996 WeakPolarHBondContact CA-O 3.15Å; V975-A996 WeakPolarHBondContact CG1-O 3.34Å; T976-A996 PolarHBondContact N-O 3.19Å; T976-A996 PolarHBondContact OG1-O 3.5Å; A977-A996 HydrophobicContact CB-CB 4.26Å; A977-A996 PolarHBondContact N-O 2.88Å; A977-A996 PolarHBondContact O-N 2.88Å; A996-I1002 HydrophobicContact CB-CG1 4.36Å
997	H	91.5	Very high	84.2	Confident	15 Å²	15	34.2 Å²	34.2	7%	0.069	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	156.5	-176.7	-60.6	-103	0	0	0	112.1	D973 S999 G1000 N1001	D973-H997 HydrophobicContact CB-CB 4.43Å; D973-H997 VanDerWaalsContact CG-CB 3.5Å; D973-H997 PolarHBondContact O-ND1 2.81Å; D973-H997 WeakPolarHBondContact OD2-CB 3.43Å; D973-H997 IonicContact OD2-CG 2.97Å; H997-S999 PolarHBondContact O-N 2.94Å; H997-G1000 PolarHBondContact O-N 3.47Å; H997-N1001 HydrophobicContact CB-CB 4.29Å; H997-N1001 PolarHBondContact N-O 3.08Å
998	K	89.5	Confident	85.8	Confident	109 Å²	109	26.3 Å²	26.3	47%	0.474	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.8	-178.2	-169.7	172.5	-179.1	-179.5	0	113.5	Q616 R974 T976 G1000	Q616-K998 HydrophobicContact CG-CG 4.22Å; R974-K998 HydrophobicContact CB-CB 4.49Å; R974-K998 WeakPolarHBondContact O-CB 3.44Å; R974-K998 PolarHBondContact O-N 3.46Å; T976-K998 HydrophobicContact CG2-CB 3.76Å; T976-K998 HydrophobicContact CG2-CG 4.23Å; K998-G1000 PolarHBondContact O-N 3.22Å
999	S	87.3	Confident	87.1	Confident	50 Å²	50	25.1 Å²	25.1	35%	0.35	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.8	171.9	62.3	0	0	0	0	115.6	D973 H997 N1001	D973-S999 WeakPolarHBondContact OD1-CB 3.19Å; D973-S999 PolarHBondContact OD1-N 3.37Å; D973-S999 VanDerWaalsContact OD1-N 3.1Å; D973-S999 PolarHBondContact OD1-OG 2.83Å; D973-S999 WeakPolarHBondContact OD2-CB 3.33Å; D973-S999 PolarHBondContact OD2-OG 3.18Å; H997-S999 PolarHBondContact O-N 2.94Å; S999-N1001 WeakPolarHBondContact OG-CB 3.23Å; S999-N1001 PolarHBondContact OG-N 2.95Å; S999-N1001 VanDerWaalsContact OG-N 3.15Å; S999-N1001 PolarHBondContact OG-ND2 2.84Å
1000	G	86.4	Confident	88.2	Confident	4 Å²	4	23.6 Å²	23.6	4%	0.041	13%	0.13	C	C	.	.	S	Bend	trans	93.7	3.3	-167.3	0	0	0	0	0	114	T607 R615 H997 K998	T607-G1000 WeakPolarHBondContact CB-O 3.27Å; T607-G1000 WeakPolarHBondContact CG2-O 3.48Å; T607-G1000 PolarHBondContact OG1-O 2.82Å; R615-G1000 VanDerWaalsContact O-CA 3.22Å; R615-G1000 WeakPolarHBondContact O-CA 3.19Å; R615-G1000 PolarHBondContact O-N 2.97Å; H997-G1000 PolarHBondContact O-N 3.47Å; K998-G1000 PolarHBondContact O-N 3.22Å
1001	N	90.3	Very high	88.7	Confident	41 Å²	41	22.3 Å²	22.3	22%	0.219	13%	0.125	C	C	.	.			trans	-70.4	143.6	169.9	-70.6	-42.9	0	0	0	111.4	D973 H997 S999	D973-N1001 PolarHBondContact OD2-ND2 2.93Å; H997-N1001 HydrophobicContact CB-CB 4.29Å; H997-N1001 PolarHBondContact N-O 3.08Å; S999-N1001 WeakPolarHBondContact OG-CB 3.23Å; S999-N1001 PolarHBondContact OG-N 2.95Å; S999-N1001 VanDerWaalsContact OG-N 3.15Å; S999-N1001 PolarHBondContact OG-ND2 2.84Å
1002	I	92.3	Very high	88.5	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.5	166.1	-57	166.2	0	0	0	108.8	L605 T607 I617 M630 L995 A996	L605-I1002 HydrophobicContact CB-CB 4.35Å; L605-I1002 HydrophobicContact CD1-CB 4.19Å; L605-I1002 HydrophobicContact CD1-CD1 4.45Å; L605-I1002 HydrophobicContact CD1-CG2 3.86Å; L605-I1002 HydrophobicContact CG-CB 4.46Å; L605-I1002 HydrophobicContact CG-CG2 4.32Å; L605-I1002 PolarHBondContact N-O 3.45Å; T607-I1002 HydrophobicContact CG2-CB 4.25Å; T607-I1002 HydrophobicContact CG2-CD1 3.89Å; T607-I1002 HydrophobicContact CG2-CG1 3.96Å; I617-I1002 HydrophobicContact CD1-CD1 3.92Å; I617-I1002 HydrophobicContact CD1-CG1 3.43Å; I617-I1002 VanDerWaalsContact CD1-CG1 3.43Å; M630-I1002 HydrophobicContact CE-CD1 4.3Å; M630-I1002 HydrophobicContact CE-CG2 4.17Å; L995-I1002 WeakPolarHBondContact O-CA 3.31Å; A996-I1002 HydrophobicContact CB-CG1 4.36Å
1003	E	90.7	Very high	88.2	Confident	44 Å²	44	27.7 Å²	27.7	21%	0.206	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.5	175.9	-172.6	173.4	-139.8	0	0	110.9	S602 A994 L995 Q1005	S602-E1003 WeakPolarHBondContact CB-OE1 3.39Å; S602-E1003 PolarHBondContact OG-OE1 2.8Å; A994-E1003 WeakPolarHBondContact CA-O 3.42Å; L995-E1003 PolarHBondContact N-O 2.91Å; L995-E1003 PolarHBondContact O-N 3.34Å; E1003-Q1005 HydrophobicContact CG-CG 4.5Å; E1003-Q1005 PolarHBondContact OE1-NE2 3.14Å; E1003-Q1005 PolarHBondContact OE2-NE2 3.06Å
1004	L	90.1	Very high	87.5	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.5	170	-69.5	80.8	0	0	0	108.4	S602 L603 L605 F622 I656 F981 I993 A994	S602-L1004 CarbonylContact C-O 3.42Å; S602-L1004 VanDerWaalsContact CA-O 3.22Å; S602-L1004 WeakPolarHBondContact CA-O 3.06Å; L603-L1004 HydrophobicContact CB-CB 4.38Å; L603-L1004 PolarHBondContact N-O 3.39Å; L603-L1004 PolarHBondContact O-N 3.28Å; L605-L1004 HydrophobicContact CD1-CD1 3.95Å; L605-L1004 HydrophobicContact CD2-CD1 3.8Å; L605-L1004 HydrophobicContact CG-CD1 3.64Å; F622-L1004 HydrophobicContact CZ-CD2 4.31Å; I656-L1004 HydrophobicContact CB-CD2 3.97Å; I656-L1004 HydrophobicContact CG2-CD2 3.63Å; F981-L1004 HydrophobicContact CD1-CD2 4.38Å; F981-L1004 HydrophobicContact CE1-CB 4.02Å; F981-L1004 HydrophobicContact CE1-CD2 3.78Å; F981-L1004 HydrophobicContact CE1-CG 4.02Å; F981-L1004 HydrophobicContact CZ-CB 4.19Å; F981-L1004 HydrophobicContact CZ-CD2 4.07Å; I993-L1004 WeakPolarHBondContact O-CA 3.24Å; A994-L1004 HydrophobicContact CB-CG 4.2Å
1005	Q	89.4	Confident	87	Confident	13 Å²	13	35.5 Å²	35.5	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.1	177	-67.2	-71.2	-8	0	0	108.5	L596 F598 S599 G992 I993 L995 E1003	L596-Q1005 HydrophobicContact CD1-CG 3.93Å; F598-Q1005 HydrophobicContact CE2-CB 3.75Å; F598-Q1005 HydrophobicContact CE2-CG 4.43Å; F598-Q1005 HydrophobicContact CZ-CB 4.26Å; F598-Q1005 HydrophobicContact CZ-CG 4.46Å; S599-Q1005 PolarHBondContact OG-OE1 3.37Å; G992-Q1005 CarbonylContact C-O 3.49Å; G992-Q1005 WeakPolarHBondContact CA-O 3.48Å; I993-Q1005 PolarHBondContact N-O 2.91Å; I993-Q1005 PolarHBondContact O-N 3.16Å; L995-Q1005 HydrophobicContact CD1-CG 4.03Å; E1003-Q1005 HydrophobicContact CG-CG 4.5Å; E1003-Q1005 PolarHBondContact OE1-NE2 3.14Å; E1003-Q1005 PolarHBondContact OE2-NE2 3.06Å
1006	Y	87.6	Confident	86.4	Confident	16 Å²	16	41.2 Å²	41.2	6%	0.063	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.3	-177.9	-61.5	-64.3	0	0	0	111	S599 D600 G601 L603 F981 Y990	S599-Y1006 WeakPolarHBondContact CA-O 3.29Å; S599-Y1006 WeakPolarHBondContact CB-O 3.34Å; S599-Y1006 PolarHBondContact OG-N 2.94Å; S599-Y1006 PolarHBondContact OG-O 3.15Å; D600-Y1006 PolarHBondContact N-O 2.89Å; D600-Y1006 VanDerWaalsContact N-O 3.14Å; G601-Y1006 VanDerWaalsContact O-CD2 3.23Å; G601-Y1006 WeakPolarHBondContact O-CD2 3.34Å; G601-Y1006 PolarHBondContact O-N 3.08Å; L603-Y1006 HydrophobicContact CB-CE2 3.89Å; L603-Y1006 WeakPolarHBondContact CD2-OH 3.42Å; F981-Y1006 AromaticContact CE2-CD1 3.82Å; F981-Y1006 HydrophobicContact CE2-CD1 3.82Å; F981-Y1006 AromaticContact CE2-CE1 3.68Å; F981-Y1006 HydrophobicContact CE2-CE1 3.68Å; F981-Y1006 AromaticContact CZ-CD1 3.69Å; F981-Y1006 HydrophobicContact CZ-CD1 3.69Å; F981-Y1006 AromaticContact CZ-CE1 3.49Å; F981-Y1006 HydrophobicContact CZ-CE1 3.49Å; F981-Y1006 VanDerWaalsContact CZ-CE1 3.49Å; Y990-Y1006 HydrophobicContact CD1-CE1 4.38Å; Y990-Y1006 HydrophobicContact CD2-CE1 4.16Å; Y990-Y1006 AromaticContact CE1-CE1 3.75Å; Y990-Y1006 HydrophobicContact CE1-CE1 3.75Å; Y990-Y1006 HydrophobicContact CE2-CD1 4.38Å; Y990-Y1006 AromaticContact CE2-CE1 3.54Å; Y990-Y1006 HydrophobicContact CE2-CE1 3.54Å; Y990-Y1006 AromaticContact CE2-CZ 3.93Å; Y990-Y1006 AromaticContact CZ-CE1 3.33Å; Y990-Y1006 AromaticContact CZ-CZ 3.83Å; Y990-Y1006 WeakPolarHBondContact OH-CE1 3.37Å; Y990-Y1006 PolarHBondContact OH-OH 3.33Å
1007	F	87.6	Confident	86	Confident	9 Å²	9	43.5 Å²	43.5	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	140	-179.8	-77.9	-45	0	0	0	112	F598 T936 I954 S991 G992 I993 L1011 T1012	F598-F1007 HydrophobicContact CD2-CD1 4.12Å; F598-F1007 HydrophobicContact CD2-CE1 4.26Å; T936-F1007 HydrophobicContact CG2-CE2 3.78Å; T936-F1007 HydrophobicContact CG2-CZ 3.89Å; I954-F1007 HydrophobicContact CD1-CE1 4.37Å; S991-F1007 PolarHBondContact O-N 3.06Å; G992-F1007 VanDerWaalsContact CA-CD2 3.45Å; I993-F1007 HydrophobicContact CD1-CE1 3.73Å; I993-F1007 HydrophobicContact CD1-CZ 3.68Å; I993-F1007 HydrophobicContact CG1-CE1 3.85Å; I993-F1007 HydrophobicContact CG1-CE2 4.26Å; I993-F1007 HydrophobicContact CG1-CZ 3.49Å; I993-F1007 VanDerWaalsContact CG1-CZ 3.49Å; F1007-L1011 HydrophobicContact CB-CB 3.94Å; F1007-L1011 HydrophobicContact CD1-CB 3.98Å; F1007-L1011 HydrophobicContact CD1-CD1 3.85Å; F1007-L1011 HydrophobicContact CE1-CD1 4.27Å; F1007-L1011 HydrophobicContact CG-CB 3.96Å; F1007-T1012 VanDerWaalsContact CB-OG1 3.27Å; F1007-T1012 WeakPolarHBondContact CB-OG1 3.36Å; F1007-T1012 PolarHBondContact O-OG1 3.15Å
1008	T	85.1	Confident	85.6	Confident	22 Å²	22	42.8 Å²	42.8	14%	0.135	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-54.6	152	164.8	41.7	0	0	0	0	111.5	F598 D600 S1010 L1011 T1012	F598-T1008 WeakPolarHBondContact O-CB 3.37Å; F598-T1008 WeakPolarHBondContact O-CG2 3.37Å; F598-T1008 PolarHBondContact O-N 3.07Å; F598-T1008 PolarHBondContact O-OG1 3.38Å; D600-T1008 HydrophobicContact CB-CG2 4.28Å; T1008-S1010 PolarHBondContact O-N 3.25Å; T1008-S1010 PolarHBondContact OG1-OG 2.94Å; T1008-L1011 PolarHBondContact O-N 3.32Å; T1008-T1012 PolarHBondContact O-N 2.92Å; T1008-T1012 PolarHBondContact O-OG1 2.96Å
1009	P	81.3	Confident	85.3	Confident	64 Å²	64	43 Å²	43	42%	0.416	26%	0.256	S	S	.	.	H	α-helix	trans	-52.7	-29.5	179.7	-29.9	36.2	0	0	0	114.9	L1011 T1012 L1013	P1009-L1011 VanDerWaalsContact C-N 3.31Å; P1009-L1011 PolarHBondContact O-N 3.39Å; P1009-T1012 PolarHBondContact O-N 3.48Å; P1009-L1013 HydrophobicContact CB-CD1 4.25Å; P1009-L1013 WeakPolarHBondContact O-CB 3.47Å; P1009-L1013 WeakPolarHBondContact O-CG 3.48Å; P1009-L1013 PolarHBondContact O-N 2.86Å
1010	S	81.7	Confident	85.1	Confident	72 Å²	72	42.8 Å²	42.8	50%	0.503	26%	0.261	S	S	.	.	H	α-helix	trans	-70.2	-18.1	175.9	40.6	0	0	0	0	115	R939 T1008	R939-S1010 PolarHBondContact NH1-O 3.28Å; T1008-S1010 PolarHBondContact O-N 3.25Å; T1008-S1010 PolarHBondContact OG1-OG 2.94Å
1011	L	82.6	Confident	85.1	Confident	9 Å²	9	44.8 Å²	44.8	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-106.2	-16.9	173	-66.6	173.8	0	0	0	112.2	F598 R939 V942 I954 F1007 T1008 P1009	F598-L1011 HydrophobicContact CB-CD1 3.76Å; R939-L1011 WeakPolarHBondContact CD-O 3.41Å; R939-L1011 VanDerWaalsContact CG-O 3.31Å; R939-L1011 WeakPolarHBondContact CG-O 3.49Å; V942-L1011 HydrophobicContact CG1-CD2 4.13Å; I954-L1011 HydrophobicContact CD1-CD1 4.45Å; I954-L1011 HydrophobicContact CG2-CD1 4.32Å; I954-L1011 HydrophobicContact CG2-CD2 4.2Å; F1007-L1011 HydrophobicContact CB-CB 3.94Å; F1007-L1011 HydrophobicContact CD1-CB 3.98Å; F1007-L1011 HydrophobicContact CD1-CD1 3.85Å; F1007-L1011 HydrophobicContact CE1-CD1 4.27Å; F1007-L1011 HydrophobicContact CG-CB 3.96Å; T1008-L1011 PolarHBondContact O-N 3.32Å; P1009-L1011 VanDerWaalsContact C-N 3.31Å; P1009-L1011 PolarHBondContact O-N 3.39Å
1012	T	82.6	Confident	84.8	Confident	7 Å²	7	43 Å²	43	4%	0.043	26%	0.259	C	S	.	.	H	α-helix	trans	-87.8	-44.1	177.5	-59.7	0	0	0	0	113.4	T938 T989 F1007 T1008 P1009	T938-T1012 WeakPolarHBondContact CB-O 3.3Å; T938-T1012 PolarHBondContact OG1-O 2.98Å; T989-T1012 HydrophobicContact CG2-CG2 4.02Å; F1007-T1012 VanDerWaalsContact CB-OG1 3.27Å; F1007-T1012 WeakPolarHBondContact CB-OG1 3.36Å; F1007-T1012 PolarHBondContact O-OG1 3.15Å; T1008-T1012 PolarHBondContact O-N 2.92Å; T1008-T1012 PolarHBondContact O-OG1 2.96Å; P1009-T1012 PolarHBondContact O-N 3.48Å
1013	L	82	Confident	84.3	Confident	107 Å²	107	46.5 Å²	46.5	56%	0.56	28%	0.276	S	S	*	.	S	Bend	trans	-79.3	123.6	-171.7	-65.6	172.1	0	0	0	111.9	R939 P1009	R939-L1013 VanDerWaalsContact CD-O 3.27Å; R939-L1013 WeakPolarHBondContact CD-O 3.19Å; P1009-L1013 HydrophobicContact CB-CD1 4.25Å; P1009-L1013 WeakPolarHBondContact O-CB 3.47Å; P1009-L1013 WeakPolarHBondContact O-CG 3.48Å; P1009-L1013 PolarHBondContact O-N 2.86Å
1014	P	79.5	Confident	84	Confident	89 Å²	89	46.5 Å²	46.5	58%	0.578	28%	0.28	S	S	*	.			trans	-68.4	143.1	176.6	27.6	-33.9	0	0	0	112.2
1015	N	82.4	Confident	83.7	Confident	74 Å²	74	47.4 Å²	47.4	40%	0.396	29%	0.285	S	S	.	.			trans	-113.3	126.5	173.2	176.1	-4.4	0	0	0	109.3	L958 A1017 E1018	L958-N1015 HydrophobicContact CD1-CB 4.11Å; L958-N1015 WeakPolarHBondContact CD1-ND2 3.36Å; N1015-A1017 PolarHBondContact O-N 3Å; N1015-A1017 WeakPolarHBondContact OD1-CB 3.41Å; N1015-A1017 PolarHBondContact OD1-N 3.3Å; N1015-E1018 HydrophobicContact CB-CG 4.12Å; N1015-E1018 PolarHBondContact N-OE2 3.34Å; N1015-E1018 VanDerWaalsContact O-CB 3.31Å; N1015-E1018 WeakPolarHBondContact O-CB 3.45Å; N1015-E1018 VanDerWaalsContact O-CG 3.25Å; N1015-E1018 WeakPolarHBondContact O-CG 3.43Å; N1015-E1018 PolarHBondContact O-N 2.91Å
1016	P	80.4	Confident	83.3	Confident	120 Å²	120	48.4 Å²	48.4	78%	0.779	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.1	-179.8	25	-35.3	0	0	0	114.4	E1018	P1016-E1018 VanDerWaalsContact C-N 3.25Å; P1016-E1018 PolarHBondContact O-N 3.1Å
1017	A	84.9	Confident	83	Confident	48 Å²	48	52.3 Å²	52.3	40%	0.397	32%	0.315	S	S	.	.	H	α-helix	trans	-69.6	-18.4	171.3	0	0	0	0	0	113.9	L958 N1015 G1020 K1021	L958-A1017 HydrophobicContact CD1-CB 4.25Å; L958-A1017 HydrophobicContact CD2-CB 4.24Å; N1015-A1017 PolarHBondContact O-N 3Å; N1015-A1017 WeakPolarHBondContact OD1-CB 3.41Å; N1015-A1017 PolarHBondContact OD1-N 3.3Å; A1017-G1020 PolarHBondContact O-N 2.95Å; A1017-K1021 PolarHBondContact O-N 3.17Å
1018	E	84.8	Confident	82.4	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.1	-44.5	-176.5	-67.6	-175	86.7	0	0	112.5	R939 P940 A941 L958 N1015 P1016 G1020 K1021 L1022	R939-E1018 WeakPolarHBondContact CB-OE1 3.36Å; R939-E1018 IonicContact CZ-OE1 3.2Å; R939-E1018 IonicContact CZ-OE2 3.29Å; R939-E1018 VanDerWaalsContact NE-CD 3.29Å; R939-E1018 IonicContact NE-OE1 3.07Å; R939-E1018 PolarHBondContact NE-OE1 3.11Å; R939-E1018 VanDerWaalsContact NE-OE1 3.08Å; R939-E1018 IonicContact NE-OE2 3.81Å; R939-E1018 PolarHBondContact NE-OE2 3.43Å; R939-E1018 IonicContact NH2-OE1 3.62Å; R939-E1018 PolarHBondContact NH2-OE1 2.86Å; R939-E1018 IonicContact NH2-OE2 3.28Å; P940-E1018 HydrophobicContact CB-CB 4.08Å; P940-E1018 HydrophobicContact CG-CB 4.16Å; A941-E1018 HydrophobicContact CB-CB 3.85Å; A941-E1018 HydrophobicContact CB-CG 3.83Å; A941-E1018 WeakPolarHBondContact CB-OE1 3.48Å; A941-E1018 PolarHBondContact N-OE1 3.13Å; L958-E1018 HydrophobicContact CD1-CB 4.44Å; L958-E1018 HydrophobicContact CD1-CG 3.38Å; L958-E1018 HydrophobicContact CG-CG 3.92Å; N1015-E1018 HydrophobicContact CB-CG 4.12Å; N1015-E1018 PolarHBondContact N-OE2 3.34Å; N1015-E1018 VanDerWaalsContact O-CB 3.31Å; N1015-E1018 WeakPolarHBondContact O-CB 3.45Å; N1015-E1018 VanDerWaalsContact O-CG 3.25Å; N1015-E1018 WeakPolarHBondContact O-CG 3.43Å; N1015-E1018 PolarHBondContact O-N 2.91Å; P1016-E1018 VanDerWaalsContact C-N 3.25Å; P1016-E1018 PolarHBondContact O-N 3.1Å; E1018-G1020 VanDerWaalsContact C-N 3.32Å; E1018-G1020 PolarHBondContact O-N 3.19Å; E1018-K1021 PolarHBondContact O-N 2.9Å; E1018-L1022 WeakPolarHBondContact O-CG 3.11Å; E1018-L1022 PolarHBondContact O-N 2.68Å
1019	E	82.1	Confident	81.5	Confident	115 Å²	115	59.2 Å²	59.2	54%	0.537	35%	0.354	S	S	.	.	H	α-helix	trans	-63.3	-41.4	177.1	-62.4	-177.9	173.2	0	0	110.8	P940 K1021 L1022 E1023	P940-E1019 HydrophobicContact CG-CG 4.39Å; E1019-K1021 PolarHBondContact O-N 3.28Å; E1019-L1022 PolarHBondContact O-N 3.41Å; E1019-E1023 WeakPolarHBondContact O-CG 3.32Å; E1019-E1023 PolarHBondContact O-N 3.39Å
1020	G	83.5	Confident	80.4	Confident	45 Å²	45	62.3 Å²	62.3	46%	0.464	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-41.5	175.6	0	0	0	0	0	113.4	A1017 E1018 E1023 S1024	A1017-G1020 PolarHBondContact O-N 2.95Å; E1018-G1020 VanDerWaalsContact C-N 3.32Å; E1018-G1020 PolarHBondContact O-N 3.19Å; G1020-E1023 PolarHBondContact O-N 3.46Å; G1020-S1024 WeakPolarHBondContact O-CB 3.49Å; G1020-S1024 PolarHBondContact O-N 3.43Å
1021	K	85.6	Confident	80.4	Confident	45 Å²	45	61.9 Å²	61.9	20%	0.196	35%	0.354	C	S	.	.	H	α-helix	trans	-68.1	-37.6	176.1	179	57.8	169.5	165.9	0	112	M957 L958 D961 A1017 E1018 E1019 S1024 I1025	M957-K1021 VanDerWaalsContact O-CE 3.31Å; M957-K1021 WeakPolarHBondContact O-CE 3.41Å; L958-K1021 HydrophobicContact CD2-CB 3.69Å; L958-K1021 HydrophobicContact CD2-CG 4.09Å; D961-K1021 WeakPolarHBondContact OD2-CE 3.41Å; D961-K1021 IonicContact OD2-NZ 3.59Å; D961-K1021 PolarHBondContact OD2-NZ 3.19Å; A1017-K1021 PolarHBondContact O-N 3.17Å; E1018-K1021 PolarHBondContact O-N 2.9Å; E1019-K1021 PolarHBondContact O-N 3.28Å; K1021-S1024 WeakPolarHBondContact O-CB 3.24Å; K1021-S1024 PolarHBondContact O-N 3.3Å; K1021-I1025 HydrophobicContact CD-CD1 4.06Å; K1021-I1025 HydrophobicContact CD-CG1 4.2Å; K1021-I1025 HydrophobicContact CG-CD1 4.02Å; K1021-I1025 WeakPolarHBondContact O-CD1 3.42Å; K1021-I1025 VanDerWaalsContact O-CG1 3.27Å; K1021-I1025 WeakPolarHBondContact O-CG1 3.42Å; K1021-I1025 PolarHBondContact O-N 3.25Å
1022	L	84.1	Confident	80.3	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.016	37%	0.37	C	S	.	.	H	α-helix	trans	-64	-43	174.3	-72	172.7	0	0	0	112.4	R894 L897 W935 P940 M957 E1018 E1019 M1026	R894-L1022 HydrophobicContact CG-CD1 4.31Å; L897-L1022 HydrophobicContact CD1-CD2 4.13Å; W935-L1022 HydrophobicContact CH2-CD2 4.3Å; P940-L1022 HydrophobicContact CB-CD1 3.7Å; M957-L1022 HydrophobicContact CE-CD2 3.55Å; E1018-L1022 WeakPolarHBondContact O-CG 3.11Å; E1018-L1022 PolarHBondContact O-N 2.68Å; E1019-L1022 PolarHBondContact O-N 3.41Å; L1022-M1026 PolarHBondContact O-N 3.43Å; L1022-M1026 VanDerWaalsContact O-N 3.13Å
1023	E	83.4	Confident	80.1	Confident	75 Å²	75	67.8 Å²	67.8	35%	0.35	39%	0.388	S	S	.	.	H	α-helix	trans	-64.5	-43	173.3	-65.7	-76.1	-152.2	0	0	111.1	R894 E1019 G1020 I1025 M1026 T1027	R894-E1023 IonicContact CZ-OE1 3.87Å; R894-E1023 IonicContact CZ-OE2 2.7Å; R894-E1023 IonicContact NH1-OE1 2.87Å; R894-E1023 PolarHBondContact NH1-OE1 3.05Å; R894-E1023 IonicContact NH1-OE2 2.65Å; R894-E1023 IonicContact NH2-OE1 3.06Å; R894-E1023 PolarHBondContact NH2-OE1 3.49Å; R894-E1023 IonicContact NH2-OE2 3.42Å; R894-E1023 PolarHBondContact NH2-OE2 3.39Å; E1019-E1023 WeakPolarHBondContact O-CG 3.32Å; E1019-E1023 PolarHBondContact O-N 3.39Å; G1020-E1023 PolarHBondContact O-N 3.46Å; E1023-I1025 PolarHBondContact O-N 3.04Å; E1023-M1026 WeakPolarHBondContact O-CB 3.25Å; E1023-M1026 PolarHBondContact O-N 2.91Å; E1023-M1026 VanDerWaalsContact O-N 3.11Å; E1023-T1027 PolarHBondContact O-N 3.19Å; E1023-T1027 PolarHBondContact O-OG1 2.84Å; E1023-T1027 VanDerWaalsContact O-OG1 3.12Å
1024	S	84.3	Confident	80	Confident	43 Å²	43	65.5 Å²	65.5	30%	0.301	38%	0.378	S	S	.	.	H	α-helix	trans	-55.4	-50	176.6	-147.5	0	0	0	0	111.1	G1020 K1021 M1026 T1027 E1028	G1020-S1024 WeakPolarHBondContact O-CB 3.49Å; G1020-S1024 PolarHBondContact O-N 3.43Å; K1021-S1024 WeakPolarHBondContact O-CB 3.24Å; K1021-S1024 PolarHBondContact O-N 3.3Å; S1024-M1026 VanDerWaalsContact C-N 3.33Å; S1024-M1026 PolarHBondContact O-N 2.92Å; S1024-T1027 WeakPolarHBondContact CA-OG1 3.34Å; S1024-T1027 CarbonylContact O-C 3.59Å; S1024-T1027 PolarHBondContact O-N 3.29Å; S1024-T1027 PolarHBondContact O-OG1 2.96Å; S1024-E1028 VanDerWaalsContact CB-OE1 3.29Å; S1024-E1028 WeakPolarHBondContact CB-OE1 3.31Å; S1024-E1028 WeakPolarHBondContact O-CB 3.22Å; S1024-E1028 VanDerWaalsContact O-CG 3.3Å; S1024-E1028 WeakPolarHBondContact O-CG 3.46Å; S1024-E1028 PolarHBondContact O-N 3.05Å; S1024-E1028 PolarHBondContact OG-OE1 2.7Å
1025	I	83.3	Confident	80	Confident	20 Å²	20	64.1 Å²	64.1	10%	0.103	37%	0.365	C	S	.	.	H	α-helix	trans	-60.2	-39.4	177.1	-66.2	160.7	0	0	0	111.7	M909 V918 M957 K1021 E1023 T1027 A1029	M909-I1025 HydrophobicContact CE-CG2 3.61Å; V918-I1025 HydrophobicContact CG1-CG2 3.73Å; V918-I1025 VanDerWaalsContact CG1-O 3.22Å; V918-I1025 WeakPolarHBondContact CG1-O 3.38Å; M957-I1025 HydrophobicContact SD-CD1 4.29Å; K1021-I1025 HydrophobicContact CD-CD1 4.06Å; K1021-I1025 HydrophobicContact CD-CG1 4.2Å; K1021-I1025 HydrophobicContact CG-CD1 4.02Å; K1021-I1025 WeakPolarHBondContact O-CD1 3.42Å; K1021-I1025 VanDerWaalsContact O-CG1 3.27Å; K1021-I1025 WeakPolarHBondContact O-CG1 3.42Å; K1021-I1025 PolarHBondContact O-N 3.25Å; E1023-I1025 PolarHBondContact O-N 3.04Å; I1025-T1027 VanDerWaalsContact C-N 3.35Å; I1025-T1027 PolarHBondContact O-N 3.45Å; I1025-A1029 PolarHBondContact O-N 3.12Å
1026	M	81.6	Confident	79.9	Confident	33 Å²	33	63.4 Å²	63.4	16%	0.163	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-42.7	171.8	-75	-169.6	173.3	0	0	112.4	N896 L897 L1022 E1023 S1024	N896-M1026 HydrophobicContact CB-CE 4.26Å; L897-M1026 HydrophobicContact CD1-CE 3.86Å; L897-M1026 HydrophobicContact CD2-CE 3.57Å; L897-M1026 HydrophobicContact CD2-CG 4.38Å; L897-M1026 HydrophobicContact CG-CE 3.39Å; L1022-M1026 PolarHBondContact O-N 3.43Å; L1022-M1026 VanDerWaalsContact O-N 3.13Å; E1023-M1026 WeakPolarHBondContact O-CB 3.25Å; E1023-M1026 PolarHBondContact O-N 2.91Å; E1023-M1026 VanDerWaalsContact O-N 3.11Å; S1024-M1026 VanDerWaalsContact C-N 3.33Å; S1024-M1026 PolarHBondContact O-N 2.92Å
1027	T	79.7	Confident	79.9	Confident	98 Å²	98	59.4 Å²	59.4	60%	0.601	33%	0.334	S	S	*	.	H	α-helix	trans	-85.5	-10.7	-175.4	55.9	0	0	0	0	115.1	E1023 S1024 I1025	E1023-T1027 PolarHBondContact O-N 3.19Å; E1023-T1027 PolarHBondContact O-OG1 2.84Å; E1023-T1027 VanDerWaalsContact O-OG1 3.12Å; S1024-T1027 WeakPolarHBondContact CA-OG1 3.34Å; S1024-T1027 CarbonylContact O-C 3.59Å; S1024-T1027 PolarHBondContact O-N 3.29Å; S1024-T1027 PolarHBondContact O-OG1 2.96Å; I1025-T1027 VanDerWaalsContact C-N 3.35Å; I1025-T1027 PolarHBondContact O-N 3.45Å
1028	E	74.8	Confident	79.5	Confident	135 Å²	135	60.2 Å²	60.2	63%	0.631	33%	0.329	S	S	*	.	H	α-helix	trans	-89.5	-18.3	174.1	-74.7	166.1	-128.7	0	0	112.1	S1024	S1024-E1028 VanDerWaalsContact CB-OE1 3.29Å; S1024-E1028 WeakPolarHBondContact CB-OE1 3.31Å; S1024-E1028 WeakPolarHBondContact O-CB 3.22Å; S1024-E1028 VanDerWaalsContact O-CG 3.3Å; S1024-E1028 WeakPolarHBondContact O-CG 3.46Å; S1024-E1028 PolarHBondContact O-N 3.05Å; S1024-E1028 PolarHBondContact OG-OE1 2.7Å
1029	A	67.3	Low	79	Confident	42 Å²	42	65.3 Å²	65.3	35%	0.347	36%	0.356	S	S	.	.			trans	-90.8	-17.8	-179.1	0	0	0	0	0	115	V918 I1025	V918-A1029 HydrophobicContact CB-CB 4.44Å; V918-A1029 HydrophobicContact CG1-CB 3.62Å; I1025-A1029 PolarHBondContact O-N 3.12Å
1030	F	58.7	Low	78.7	Confident	129 Å²	129	60.7 Å²	60.7	57%	0.566	34%	0.34	S	S	*	.			trans	-142.2	0	-171.8	-54.6	-70.1	0	0	0	112.9	H914 Q916 V918	H914-F1030 HydrophobicContact CB-CE1 3.69Å; H914-F1030 HydrophobicContact CB-CE2 4.09Å; H914-F1030 HydrophobicContact CB-CZ 3.45Å; H914-F1030 VanDerWaalsContact CB-CZ 3.45Å; H914-F1030 AromaticContact CE1-CD2 3.54Å; H914-F1030 AromaticContact CE1-CE2 3.88Å; H914-F1030 AromaticContact CE1-CG 3.7Å; H914-F1030 AromaticContact CG-CE1 3.68Å; H914-F1030 AromaticContact CG-CE2 3.8Å; H914-F1030 AromaticContact CG-CZ 3.57Å; H914-F1030 AromaticContact ND1-CD2 3.35Å; H914-F1030 WeakPolarHBondContact ND1-CD2 3.22Å; H914-F1030 AromaticContact ND1-CE1 3.89Å; H914-F1030 AromaticContact ND1-CE2 3.19Å; H914-F1030 WeakPolarHBondContact ND1-CE2 3.37Å; H914-F1030 AromaticContact ND1-CG 3.78Å; H914-F1030 AromaticContact ND1-CZ 3.48Å; H914-F1030 WeakPolarHBondContact ND1-CZ 3.49Å; Q916-F1030 HydrophobicContact CB-CE1 4.46Å; V918-F1030 HydrophobicContact CG1-CE2 4.33Å; V918-F1030 HydrophobicContact CG2-CE2 4.16Å

Retrieved 1,030 of 1,030 residues in 3213.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).