A0A5K4F0I6_SCHMA Loading...

Replication factor C subunit 1 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F0I6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,015 aa.

						>A0A5K4F0I6_SCHMA|A0A5K4F0I6
MKRRVVFSESDSDDEIKTKEKPKVKQNTKRYSEKKRKCTDVDDNQISCRNNSQQSIIDALKRQQELSKISRDKKANTIEAYFSQSVKPKKNVVSVDDFFGSSEKKPNAKPCAVANTPPHSPMEIIPDTPVLSPKTPLGIRGSHGSSPQTNVIVLESVKTTSNQTSSMANESLNDSIEIAVKDRKHFWAYKARDGPRSLGSREIPKGTPDCLKGLNFLITGILECIEREDAANLIQNCGGKVLKTLGKKTDYLVVGREPGAAKIEKANNLKIKQITEEYLFEMIEKSSNVPLVHHKSNVSNSESSKKLEPVDVNDCKQKLKSPKKSPKKKQYTESPDNALKSHKHESPNKCARKSVTSLCNELPLTARPVLTNNSTFNSKTDRNHSSGLSKTPTNFIDKPDSLLKEMGSKLSELWVDKYKPTSIRSLIGQNGAQSPANRLLNWLSSWHSDFSAGLKAKAYSSAPPWGPSSSDDGKWARAALLSGPPGIGKTSTAILVCKQLGYTYCEFNASDCRSKRCLSEEIGQSLGLRNLSHMAFGQASTLNSGHHVLIMDEVDGMAGNEDRGGMQELINMIKITQLPIICMCNDRQAIKIRSLANYCLDLRFHRPRVEQIKSAVLSIACKENVNLPPDVLTNIIDSSNHDIRQVINNVQMWCSSGLIDSEGLKMDALGARKDLHLNAFDVIRKVFAPDISGSQGSVATFNESLDLFFQDYNLIPLFVEENYLNVRVHNTHDDKKILQLMSQAASDIATADIISSTIRSSRTGSWSLLPVQGVFSTVSPGRTLRGSLPGGPGGVSFPCWFGKNSTQSRINRTTSELASHLRLATHCGSSNPLTLLLDYATPISELITRPLKEGDIDSAIQFLISYQITREDVDSIMELTTWPNRPNRMLSVDSKVKAALTRTYNKSSHLLPYVISSSGSFKRKRGGGGAPVSFEGENENDSGLFDDDEEEQEDEKVDLKNDAMIVIKKEDQKKRIDTEKSKLQRGEQCSSSDSNNTKVRGRGRGRGRSRGRGKD
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	43.2	Very low	39.3	Very low	251 Å²	251	177.4 Å²	177.4	100%	1.236	87%	0.873	S	S	*	*				0	151.1	0	-70.6	172.1	167.8	0	0	109.1
2	K	34.1	Very low	39.1	Very low	209 Å²	209	171.7 Å²	171.7	91%	0.909	86%	0.864	S	S	*	*			trans	-119.9	129.2	178.6	-69	-177.2	178.3	179.8	0	111.5
3	R	40.2	Very low	39.7	Very low	247 Å²	247	170.6 Å²	170.6	93%	0.932	86%	0.863	S	S	*	*			trans	-144.2	103.3	157.4	-73.1	-175.3	173.2	165.5	-2.9	105.7
4	R	39.8	Very low	39.8	Very low	244 Å²	244	168.9 Å²	168.9	92%	0.921	86%	0.857	S	S	*	*				54.6	106.8	85.6	-93	-169.4	180	171.4	2	113.1
5	V	34.4	Very low	39.8	Very low	125 Å²	125	167.9 Å²	167.9	76%	0.758	85%	0.848	S	S	*	*			trans	-83.1	150.9	163.3	177.6	0	0	0	0	108.5	F7	V5-F7 HydrophobicContact CG1-CD2 4.25Å; V5-F7 HydrophobicContact CG1-CE2 4.45Å
6	V	45.7	Very low	39.7	Very low	133 Å²	133	164.3 Å²	164.3	81%	0.806	83%	0.83	S	S	*	*			trans	-135	129.4	166.8	176.6	0	0	0	0	107.2
7	F	32.8	Very low	39.5	Very low	184 Å²	184	164.4 Å²	164.4	81%	0.807	82%	0.824	S	S	*	*			trans	-91.2	155.5	166.7	-94.3	-106.8	0	0	0	109.4	V5	V5-F7 HydrophobicContact CG1-CD2 4.25Å; V5-F7 HydrophobicContact CG1-CE2 4.45Å
8	S	43.7	Very low	39.2	Very low	106 Å²	106	162.1 Å²	162.1	74%	0.741	82%	0.82	S	S	*	*			trans	-151.2	114	166	55.3	0	0	0	0	109.2
9	E	33.5	Very low	38.9	Very low	170 Å²	170	162.6 Å²	162.6	79%	0.794	82%	0.816	S	S	*	*			trans	-68.9	163.2	167.4	-62.5	112.9	148.6	0	0	111.4
10	S	41	Very low	38.8	Very low	118 Å²	118	162.4 Å²	162.4	83%	0.825	81%	0.812	S	S	*	*			trans	-160.2	98.6	168.1	-69.4	0	0	0	0	109.4
11	D	43.5	Very low	38.6	Very low	164 Å²	164	164.1 Å²	164.1	88%	0.877	82%	0.815	S	S	*	*			trans	-71.6	169.5	166.5	-66.4	-56.6	0	0	0	111.3
12	S	37	Very low	38.3	Very low	109 Å²	109	158.2 Å²	158.2	76%	0.762	80%	0.795	S	S	*	*			trans	-136	127.7	-172.5	59.4	0	0	0	0	112.1
13	D	47.1	Very low	38.1	Very low	158 Å²	158	158 Å²	158	85%	0.845	79%	0.794	S	S	*	*			trans	-139.7	119.9	168	-81.7	-44.9	0	0	0	111.8
14	D	41.3	Very low	38	Very low	146 Å²	146	152.6 Å²	152.6	78%	0.781	79%	0.788	S	S	*	*			trans	52	130.4	134.9	-76.3	-2.7	0	0	0	127
15	E	39.2	Very low	37.7	Very low	155 Å²	155	149.5 Å²	149.5	72%	0.724	78%	0.781	S	S	*	*			trans	74.9	115	131.5	-68.1	-124	116.1	0	0	123.8
16	I	38.2	Very low	37.6	Very low	110 Å²	110	151.7 Å²	151.7	56%	0.564	78%	0.783	S	S	*	*				96.4	126.4	121.9	-80.3	-173.5	0	0	0	122.7
17	K	36.6	Very low	37.1	Very low	166 Å²	166	153.3 Å²	153.3	72%	0.722	79%	0.787	S	S	*	*			trans	71.5	102.1	151.9	-79.8	162.7	-156	152.8	0	122.5
18	T	34.3	Very low	37.1	Very low	122 Å²	122	149.3 Å²	149.3	75%	0.748	78%	0.778	S	S	*	*				76.7	122.9	123.3	55	0	0	0	0	122.8
19	K	34.3	Very low	36.8	Very low	172 Å²	172	154.4 Å²	154.4	75%	0.748	79%	0.787	S	S	*	*			trans	91.3	135	134	-85.5	178.9	155.6	-126.9	0	121.1
20	E	37	Very low	36.6	Very low	158 Å²	158	157 Å²	157	74%	0.738	79%	0.79	S	S	*	*			trans	74	145	150.3	-70.8	161.7	-140.8	0	0	119.3
21	K	33.7	Very low	36.4	Very low	200 Å²	200	162.8 Å²	162.8	87%	0.87	80%	0.795	S	S	*	*			trans	-111	154.4	-172.7	-63.2	171.6	180	169.9	0	108.9
22	P	37.4	Very low	36.1	Very low	127 Å²	127	159.7 Å²	159.7	83%	0.825	79%	0.786	S	S	*	*				-135.8	164.2	121.2	26.7	-10.1	0	0	0	114.4
23	K	29.7	Very low	35.8	Very low	204 Å²	204	161.5 Å²	161.5	89%	0.887	78%	0.783	S	S	*	*			trans	-94.6	138.7	174.9	-59.1	169.4	179.4	172.7	0	109.9
24	V	36.8	Very low	35.2	Very low	133 Å²	133	164.2 Å²	164.2	81%	0.806	79%	0.787	S	S	*	*			trans	-128.9	106.4	163.8	-175.8	0	0	0	0	112.3
25	K	34.6	Very low	34.7	Very low	180 Å²	180	165.2 Å²	165.2	78%	0.783	78%	0.784	S	S	*	*			trans	25.4	110.4	144.7	-59.7	176.8	-177.2	175.9	0	119.5
26	Q	32.9	Very low	34.3	Very low	170 Å²	170	169.8 Å²	169.8	79%	0.794	80%	0.795	S	S	*	*				35.3	132.4	112.6	-63.8	174.2	-19.8	0	0	119.2
27	N	35.4	Very low	34	Very low	167 Å²	167	174.4 Å²	174.4	89%	0.893	81%	0.811	S	S	*	*				-136.9	145	127.3	-140.7	-23.4	0	0	0	110.1
28	T	32.1	Very low	33.5	Very low	100 Å²	100	172.3 Å²	172.3	61%	0.613	82%	0.816	S	S	*	*			trans	-140.6	145.6	-171.4	58.3	0	0	0	0	112.3
29	K	36.5	Very low	33.6	Very low	214 Å²	214	172.9 Å²	172.9	93%	0.93	82%	0.82	S	S	*	*			trans	-129.8	117.8	155.1	-77.5	-169.3	174.5	-178.6	0	109.3
30	R	31.1	Very low	33.4	Very low	224 Å²	224	171.9 Å²	171.9	85%	0.845	82%	0.822	S	S	*	*			trans	-84.6	154.4	172.5	-66.1	170.8	167.9	171	-6	109.6
31	Y	36.8	Very low	33.5	Very low	239 Å²	239	170.2 Å²	170.2	94%	0.937	82%	0.823	S	S	*	*				-139.1	153.6	126.1	-117.3	-87.4	0	0	0	108.7
32	S	35.5	Very low	33.5	Very low	100 Å²	100	167.3 Å²	167.3	70%	0.699	82%	0.817	S	S	*	*			trans	-116.9	160.5	-149.3	55.2	0	0	0	0	116.2
33	E	32.3	Very low	33.5	Very low	146 Å²	146	168.2 Å²	168.2	68%	0.682	81%	0.814	S	S	*	*			trans	-54.6	161.1	173.9	-55.2	176.6	88.2	0	0	114.9	K35	E33-K35 IonicContact OE1-NZ 2.73Å; E33-K35 PolarHBondContact OE1-NZ 3.03Å
34	K	33.3	Very low	33.8	Very low	215 Å²	215	166.2 Å²	166.2	94%	0.935	81%	0.813	S	S	*	*			trans	-142.1	113	140.6	-105.7	174.1	-176.5	174	0	110.6
35	K	30.6	Very low	33.6	Very low	167 Å²	167	168.3 Å²	168.3	73%	0.726	81%	0.814	S	S	*	*			trans	-90.2	149.1	164.7	-63.8	-177.2	176.1	89	0	109.7	E33	E33-K35 IonicContact OE1-NZ 2.73Å; E33-K35 PolarHBondContact OE1-NZ 3.03Å
36	R	32.1	Very low	33.6	Very low	251 Å²	251	167.1 Å²	167.1	95%	0.947	82%	0.815	S	S	*	*			trans	-139.5	154.5	153.3	-78.4	-164.8	165.8	175.9	-6.1	110.1
37	K	30.3	Very low	33.7	Very low	207 Å²	207	164 Å²	164	90%	0.9	81%	0.812	S	S	*	*			trans	-110.1	170.1	-179.6	-87.3	-173.5	170.2	-172.5	0	110.5
38	C	28.1	Very low	33.8	Very low	122 Å²	122	161.7 Å²	161.7	82%	0.824	81%	0.808	S	S	*	*			trans	-66.6	153.2	175.9	-35	0	0	0	0	113.7
39	T	34.4	Very low	34.4	Very low	135 Å²	135	167.4 Å²	167.4	83%	0.828	82%	0.818	S	S	*	*			trans	-153.8	162.4	145.7	40.9	0	0	0	0	108.1
40	D	31.8	Very low	35	Very low	151 Å²	151	163.2 Å²	163.2	81%	0.807	81%	0.806	S	S	*	*			trans	-95.8	-162.8	-159.5	-46.6	-91.7	0	0	0	115.3
41	V	38.7	Very low	36	Very low	122 Å²	122	159 Å²	159	74%	0.739	80%	0.8	S	S	*	*			trans	91.6	91.1	166.3	-166.6	0	0	0	0	117.7
42	D	34.3	Very low	36.9	Very low	140 Å²	140	150.8 Å²	150.8	75%	0.749	78%	0.777	S	S	*	*				53	152.1	123.2	-50	-33.4	0	0	0	124.4
43	D	36.1	Very low	38.2	Very low	145 Å²	145	152.6 Å²	152.6	78%	0.775	78%	0.775	S	S	*	*			trans	50.8	94.2	158.3	-66.7	-16	0	0	0	120.3
44	N	36.1	Very low	39.9	Very low	162 Å²	162	151 Å²	151	87%	0.866	77%	0.767	S	S	*	*				-168.8	159	87.2	-103.3	-79.1	0	0	0	113.8
45	Q	32.4	Very low	41.8	Very low	177 Å²	177	144.2 Å²	144.2	83%	0.827	75%	0.747	S	S	*	*			trans	-87.9	165.7	177.4	-59.4	-177.1	14	0	0	112.3
46	I	34.8	Very low	43.9	Very low	156 Å²	156	141.2 Å²	141.2	80%	0.8	74%	0.738	S	S	*	*			trans	115.3	140.1	168.7	-62.3	159.5	0	0	0	113.9
47	S	36.2	Very low	46.2	Very low	104 Å²	104	133 Å²	133	73%	0.727	71%	0.712	S	S	*	*			trans	88.2	5.6	173.4	81.3	0	0	0	0	120.6	R49	S47-R49 PolarHBondContact O-N 3.41Å
48	C	37	Very low	48.5	Very low	118 Å²	118	126.7 Å²	126.7	80%	0.797	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	4.5	-178.1	-53.3	0	0	0	0	117.7
49	R	43.6	Very low	50.9	Low	221 Å²	221	123.5 Å²	123.5	83%	0.834	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-22.5	-173.9	-91.8	-177.3	171	158.2	-1.1	115.8	S47 S52	S47-R49 PolarHBondContact O-N 3.41Å; R49-S52 PolarHBondContact O-OG 3.35Å
50	N	49.8	Very low	53.1	Low	126 Å²	126	121.8 Å²	121.8	67%	0.674	66%	0.656	S	S	*	*	S	Bend	trans	-89.2	-26.9	-171.8	-66.1	5.2	0	0	0	113.4	S52	N50-S52 VanDerWaalsContact C-N 3.33Å; N50-S52 PolarHBondContact O-N 3.07Å
51	N	51.7	Low	55.5	Low	134 Å²	134	119.7 Å²	119.7	72%	0.717	64%	0.64	S	S	*	*	H	α-helix	trans	-74.8	-18.1	-174.7	-68.4	-10	0	0	0	114.1
52	S	55.5	Low	57.2	Low	67 Å²	67	122.5 Å²	122.5	47%	0.469	64%	0.637	S	S	.	*	H	α-helix	trans	-79.8	-29	-179.1	55	0	0	0	0	113.8	R49 N50 S55 I56	R49-S52 PolarHBondContact O-OG 3.35Å; N50-S52 VanDerWaalsContact C-N 3.33Å; N50-S52 PolarHBondContact O-N 3.07Å; S52-S55 PolarHBondContact O-OG 3.27Å; S52-I56 WeakPolarHBondContact O-CD1 3.25Å; S52-I56 WeakPolarHBondContact O-CG1 3.44Å
53	Q	62.8	Low	59.1	Low	139 Å²	139	122.2 Å²	122.2	65%	0.65	63%	0.631	S	S	*	*	H	α-helix	trans	-72.6	-37.9	176.1	-68.1	-171.2	-17.1	0	0	111.5	S55 I56 I57	Q53-S55 PolarHBondContact O-N 3.1Å; Q53-I56 PolarHBondContact O-N 3.02Å; Q53-I57 WeakPolarHBondContact O-CG1 3.5Å; Q53-I57 PolarHBondContact O-N 3.01Å
54	Q	67.8	Low	60.9	Low	111 Å²	111	121.3 Å²	121.3	52%	0.519	62%	0.622	S	S	.	*	H	α-helix	trans	-63.5	-40.2	-177.9	-151.8	68.5	17.3	0	0	112.6	I56 I57 D58	Q54-I56 VanDerWaalsContact C-N 3.34Å; Q54-I56 PolarHBondContact O-N 3.48Å; Q54-I57 PolarHBondContact O-N 3.42Å; Q54-D58 PolarHBondContact O-N 3.39Å; Q54-D58 VanDerWaalsContact O-N 3.13Å
55	S	74	Confident	62.6	Low	74 Å²	74	119.3 Å²	119.3	52%	0.517	61%	0.608	S	S	.	*	H	α-helix	trans	-68.4	-31.2	179.8	64.3	0	0	0	0	113.3	S52 Q53 A59	S52-S55 PolarHBondContact O-OG 3.27Å; Q53-S55 PolarHBondContact O-N 3.1Å; S55-A59 WeakPolarHBondContact O-CB 3.25Å; S55-A59 PolarHBondContact O-N 3.43Å
56	I	74.3	Confident	64.5	Low	103 Å²	103	116.5 Å²	116.5	53%	0.528	60%	0.598	S	S	.	*	H	α-helix	trans	-69	-42	174.8	-64	168.8	0	0	0	110.4	S52 Q53 Q54 A59 L60	S52-I56 WeakPolarHBondContact O-CD1 3.25Å; S52-I56 WeakPolarHBondContact O-CG1 3.44Å; Q53-I56 PolarHBondContact O-N 3.02Å; Q54-I56 VanDerWaalsContact C-N 3.34Å; Q54-I56 PolarHBondContact O-N 3.48Å; I56-A59 PolarHBondContact O-N 3.06Å; I56-L60 HydrophobicContact CG2-CD1 4.25Å; I56-L60 WeakPolarHBondContact O-CG 3.49Å; I56-L60 PolarHBondContact O-N 2.91Å
57	I	80.3	Confident	65.9	Low	79 Å²	79	111.6 Å²	111.6	41%	0.405	58%	0.577	S	S	.	*	H	α-helix	trans	-62.3	-44.3	177.8	-67.4	166.2	0	0	0	110.9	Q53 Q54 L60 K61	Q53-I57 WeakPolarHBondContact O-CG1 3.5Å; Q53-I57 PolarHBondContact O-N 3.01Å; Q54-I57 PolarHBondContact O-N 3.42Å; I57-L60 PolarHBondContact O-N 3.4Å; I57-K61 PolarHBondContact O-N 3.21Å; I57-K61 VanDerWaalsContact O-N 3.13Å
58	D	78.2	Confident	67.2	Low	74 Å²	74	113.2 Å²	113.2	40%	0.396	57%	0.571	S	S	.	*	H	α-helix	trans	-74.9	-26.7	179.4	-70.9	-21.6	0	0	0	113.2	Q54 K61 R62	Q54-D58 PolarHBondContact O-N 3.39Å; Q54-D58 VanDerWaalsContact O-N 3.13Å; D58-K61 IonicContact OD1-NZ 2.66Å; D58-K61 PolarHBondContact OD1-NZ 3.45Å; D58-R62 PolarHBondContact O-N 2.9Å
59	A	78.9	Confident	68.2	Low	56 Å²	56	112.1 Å²	112.1	46%	0.463	56%	0.556	S	S	.	*	H	α-helix	trans	-65.5	-42	169.1	0	0	0	0	0	112.2	S55 I56 R62 Q63	S55-A59 WeakPolarHBondContact O-CB 3.25Å; S55-A59 PolarHBondContact O-N 3.43Å; I56-A59 PolarHBondContact O-N 3.06Å; A59-R62 PolarHBondContact O-N 3.45Å; A59-Q63 PolarHBondContact O-N 3.16Å
60	L	81.4	Confident	68.4	Low	98 Å²	98	106 Å²	106	51%	0.513	55%	0.548	S	S	.	.	H	α-helix	trans	-64.9	-41.6	176.5	-77	166.2	0	0	0	112.3	I56 I57 R62 Q63 Q64	I56-L60 HydrophobicContact CG2-CD1 4.25Å; I56-L60 WeakPolarHBondContact O-CG 3.49Å; I56-L60 PolarHBondContact O-N 2.91Å; I57-L60 PolarHBondContact O-N 3.4Å; L60-R62 PolarHBondContact O-N 2.98Å; L60-Q63 PolarHBondContact O-N 3.14Å; L60-Q64 PolarHBondContact O-N 3.35Å; L60-Q64 VanDerWaalsContact O-N 3.13Å
61	K	80.9	Confident	68.2	Low	107 Å²	107	109.2 Å²	109.2	47%	0.465	55%	0.55	S	S	.	*	H	α-helix	trans	-57.1	-46.9	174	-72.2	174.4	-169.1	156.2	0	111.9	I57 D58 Q63 Q64 E65	I57-K61 PolarHBondContact O-N 3.21Å; I57-K61 VanDerWaalsContact O-N 3.13Å; D58-K61 IonicContact OD1-NZ 2.66Å; D58-K61 PolarHBondContact OD1-NZ 3.45Å; K61-Q63 VanDerWaalsContact C-N 3.33Å; K61-Q63 PolarHBondContact O-N 3.2Å; K61-Q64 PolarHBondContact O-N 3.38Å; K61-Q64 VanDerWaalsContact O-N 3.1Å; K61-E65 PolarHBondContact O-N 3.19Å
62	R	75.2	Confident	67.9	Low	181 Å²	181	109.5 Å²	109.5	68%	0.683	55%	0.552	S	S	*	*	H	α-helix	trans	-59.9	-38.4	177.6	-80.3	-179.6	169.6	164.2	-0.4	113.2	D58 A59 L60 E65 L66	D58-R62 PolarHBondContact O-N 2.9Å; A59-R62 PolarHBondContact O-N 3.45Å; L60-R62 PolarHBondContact O-N 2.98Å; R62-E65 PolarHBondContact O-N 2.98Å; R62-L66 VanDerWaalsContact O-CG 3.31Å; R62-L66 WeakPolarHBondContact O-CG 3.41Å; R62-L66 PolarHBondContact O-N 3.47Å; R62-L66 VanDerWaalsContact O-N 3.09Å
63	Q	74.2	Confident	67.2	Low	135 Å²	135	114.1 Å²	114.1	63%	0.631	56%	0.564	S	S	*	*	H	α-helix	trans	-65	-39.6	174.5	-75.2	-168.7	-15.7	0	0	112.2	A59 L60 K61 L66 S67	A59-Q63 PolarHBondContact O-N 3.16Å; L60-Q63 PolarHBondContact O-N 3.14Å; K61-Q63 VanDerWaalsContact C-N 3.33Å; K61-Q63 PolarHBondContact O-N 3.2Å; Q63-L66 PolarHBondContact O-N 3.41Å; Q63-S67 WeakPolarHBondContact O-CB 3.37Å; Q63-S67 PolarHBondContact O-N 2.88Å
64	Q	73.2	Confident	66	Low	126 Å²	126	115.4 Å²	115.4	59%	0.589	57%	0.567	S	S	*	*	H	α-helix	trans	-64.6	-41.1	176.3	-69	-173.9	-3.7	0	0	112.3	L60 K61 S67 K68	L60-Q64 PolarHBondContact O-N 3.35Å; L60-Q64 VanDerWaalsContact O-N 3.13Å; K61-Q64 PolarHBondContact O-N 3.38Å; K61-Q64 VanDerWaalsContact O-N 3.1Å; Q64-S67 PolarHBondContact O-N 3.31Å; Q64-S67 PolarHBondContact O-OG 3.4Å; Q64-K68 PolarHBondContact O-N 3.24Å
65	E	73	Confident	64.5	Low	120 Å²	120	114 Å²	114	56%	0.561	57%	0.574	S	S	*	*	H	α-helix	trans	-61.7	-47.3	175.2	-69.4	177.1	152.8	0	0	112.2	K61 R62 S67 K68 I69	K61-E65 PolarHBondContact O-N 3.19Å; R62-E65 PolarHBondContact O-N 2.98Å; E65-S67 VanDerWaalsContact C-N 3.28Å; E65-S67 PolarHBondContact O-N 3.39Å; E65-K68 PolarHBondContact O-N 3.19Å; E65-I69 WeakPolarHBondContact O-CG1 3.44Å; E65-I69 PolarHBondContact O-N 3.05Å
66	L	71	Confident	62.7	Low	117 Å²	117	118.3 Å²	118.3	61%	0.613	59%	0.592	S	S	*	*	H	α-helix	trans	-60.1	-37.5	176.1	-70.4	169.2	0	0	0	112.2	R62 Q63 K68 I69 S70	R62-L66 VanDerWaalsContact O-CG 3.31Å; R62-L66 WeakPolarHBondContact O-CG 3.41Å; R62-L66 PolarHBondContact O-N 3.47Å; R62-L66 VanDerWaalsContact O-N 3.09Å; Q63-L66 PolarHBondContact O-N 3.41Å; L66-K68 VanDerWaalsContact C-N 3.29Å; L66-K68 PolarHBondContact O-N 3.16Å; L66-I69 PolarHBondContact O-N 2.9Å; L66-S70 WeakPolarHBondContact O-CB 3.09Å; L66-S70 PolarHBondContact O-N 2.91Å; L66-S70 VanDerWaalsContact O-N 3.1Å
67	S	65.8	Low	61.2	Low	53 Å²	53	118 Å²	118	37%	0.371	59%	0.594	S	S	.	*	H	α-helix	trans	-65.8	-28.3	178.5	80.3	0	0	0	0	113.8	Q63 Q64 E65	Q63-S67 WeakPolarHBondContact O-CB 3.37Å; Q63-S67 PolarHBondContact O-N 2.88Å; Q64-S67 PolarHBondContact O-N 3.31Å; Q64-S67 PolarHBondContact O-OG 3.4Å; E65-S67 VanDerWaalsContact C-N 3.28Å; E65-S67 PolarHBondContact O-N 3.39Å
68	K	61.9	Low	59.5	Low	138 Å²	138	120.3 Å²	120.3	60%	0.6	61%	0.606	S	S	*	*	H	α-helix	trans	-74.5	-52.6	174.7	-68.1	173.6	179.7	178.4	0	110.3	Q64 E65 L66 S70 R71	Q64-K68 PolarHBondContact O-N 3.24Å; E65-K68 PolarHBondContact O-N 3.19Å; L66-K68 VanDerWaalsContact C-N 3.29Å; L66-K68 PolarHBondContact O-N 3.16Å; K68-S70 PolarHBondContact O-N 2.99Å; K68-R71 PolarHBondContact O-N 2.6Å
69	I	59.3	Low	57.9	Low	95 Å²	95	123.7 Å²	123.7	49%	0.487	62%	0.62	S	S	.	*	H	α-helix	trans	-57.3	-27.6	179.7	-62.6	165.4	0	0	0	112.4	E65 L66	E65-I69 WeakPolarHBondContact O-CG1 3.44Å; E65-I69 PolarHBondContact O-N 3.05Å; L66-I69 PolarHBondContact O-N 2.9Å
70	S	46.6	Very low	56.3	Low	94 Å²	94	124.3 Å²	124.3	66%	0.657	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-14.5	177.6	-168.6	0	0	0	0	115.1	L66 K68	L66-S70 WeakPolarHBondContact O-CB 3.09Å; L66-S70 PolarHBondContact O-N 2.91Å; L66-S70 VanDerWaalsContact O-N 3.1Å; K68-S70 PolarHBondContact O-N 2.99Å
71	R	45.8	Very low	54.3	Low	193 Å²	193	125.8 Å²	125.8	73%	0.728	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-33.8	-179.3	-70	175.2	-178.3	172.5	1	112.1	K68 K73	K68-R71 PolarHBondContact O-N 2.6Å; R71-K73 PolarHBondContact O-N 2.8Å; R71-K73 VanDerWaalsContact O-N 3.13Å
72	D	45.2	Very low	52.4	Low	140 Å²	140	129 Å²	129	75%	0.749	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	15.1	-175.5	-51	-32.1	0	0	0	113.7
73	K	41.7	Very low	50.8	Low	164 Å²	164	124 Å²	124	71%	0.713	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.5	38.3	-175.6	-67.7	-169	175.2	-174.6	0	114.1	R71	R71-K73 PolarHBondContact O-N 2.8Å; R71-K73 VanDerWaalsContact O-N 3.13Å
74	K	37.2	Very low	48.9	Very low	166 Å²	166	123.4 Å²	123.4	72%	0.722	63%	0.629	S	S	*	*			trans	-66.7	161.5	154.2	-83.4	-173.5	171.7	-174.9	0	109.9
75	A	36	Very low	47	Very low	80 Å²	80	121.9 Å²	121.9	66%	0.661	63%	0.632	S	S	*	*	S	Bend	trans	76.2	145.3	-178.5	0	0	0	0	0	117.4
76	N	35.8	Very low	45.2	Very low	166 Å²	166	122.7 Å²	122.7	89%	0.888	65%	0.645	S	S	*	*			trans	78	44.6	165.8	-50	-27.6	0	0	0	119.4
77	T	43.5	Very low	43.2	Very low	96 Å²	96	126.3 Å²	126.3	59%	0.589	66%	0.656	S	S	*	*			trans	-125.9	134.4	169.4	-19.2	0	0	0	0	113.8	E79	T77-E79 HydrophobicContact CG2-CG 4.32Å; T77-E79 PolarHBondContact O-N 2.73Å
78	I	44.6	Very low	41.7	Very low	128 Å²	128	129.3 Å²	129.3	66%	0.656	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-15.8	-175.3	-68	168.4	0	0	0	113.3	A80 Y81 F82	I78-A80 PolarHBondContact O-N 3.19Å; I78-A80 VanDerWaalsContact O-N 3.15Å; I78-Y81 WeakPolarHBondContact O-CB 3.49Å; I78-Y81 PolarHBondContact O-N 2.86Å; I78-F82 HydrophobicContact CG2-CD2 4.49Å; I78-F82 HydrophobicContact CG2-CE2 4.25Å
79	E	45.3	Very low	40.2	Very low	145 Å²	145	132.2 Å²	132.2	68%	0.678	69%	0.687	S	S	*	*	H	α-helix	trans	-61.2	-23.9	-179.8	-61	176.5	125	0	0	113.6	T77 Y81 S83	T77-E79 HydrophobicContact CG2-CG 4.32Å; T77-E79 PolarHBondContact O-N 2.73Å; E79-Y81 PolarHBondContact O-N 2.96Å; E79-S83 PolarHBondContact O-OG 3.08Å
80	A	45.1	Very low	38.9	Very low	69 Å²	69	136.4 Å²	136.4	57%	0.57	70%	0.701	S	S	*	*	H	α-helix	trans	-65.6	-18.7	171.6	0	0	0	0	0	113.7	I78 S83	I78-A80 PolarHBondContact O-N 3.19Å; I78-A80 VanDerWaalsContact O-N 3.15Å; A80-S83 WeakPolarHBondContact CA-OG 3.48Å; A80-S83 PolarHBondContact O-OG 3.46Å
81	Y	38.9	Very low	38.3	Very low	129 Å²	129	139.1 Å²	139.1	51%	0.506	71%	0.709	S	S	.	*	H	α-helix	trans	-84.6	-28.5	-176.7	-152.4	-100	0	0	0	112.9	I78 E79 N560	I78-Y81 WeakPolarHBondContact O-CB 3.49Å; I78-Y81 PolarHBondContact O-N 2.86Å; E79-Y81 PolarHBondContact O-N 2.96Å; Y81-N560 WeakPolarHBondContact CE2-OD1 3.17Å
82	F	41.6	Very low	37.7	Very low	173 Å²	173	136 Å²	136	76%	0.759	71%	0.71	S	S	*	*	H	α-helix	trans	-96.3	-7.6	-179.2	-73.2	-80.4	0	0	0	114.2	I78	I78-F82 HydrophobicContact CG2-CD2 4.49Å; I78-F82 HydrophobicContact CG2-CE2 4.25Å
83	S	40.7	Very low	37.1	Very low	76 Å²	76	134.8 Å²	134.8	53%	0.531	71%	0.708	S	S	.	*			trans	-84.3	-11.9	-177.5	31.8	0	0	0	0	114.3	E79 A80 S85	E79-S83 PolarHBondContact O-OG 3.08Å; A80-S83 WeakPolarHBondContact CA-OG 3.48Å; A80-S83 PolarHBondContact O-OG 3.46Å; S83-S85 VanDerWaalsContact C-N 3.28Å; S83-S85 PolarHBondContact O-N 3.2Å
84	Q	34.4	Very low	36.7	Very low	124 Å²	124	130.1 Å²	130.1	58%	0.579	70%	0.696	S	S	*	*			trans	-74	73.1	177.2	-63.4	-170.4	16.1	0	0	112.9	V86	Q84-V86 PolarHBondContact O-N 2.89Å
85	S	34.8	Very low	36.7	Very low	94 Å²	94	128.4 Å²	128.4	66%	0.657	70%	0.699	S	S	*	*			trans	-83.3	96	178.7	44.4	0	0	0	0	112.4	S83 K87	S83-S85 VanDerWaalsContact C-N 3.28Å; S83-S85 PolarHBondContact O-N 3.2Å; S85-K87 PolarHBondContact O-N 3.48Å
86	V	33.8	Very low	37.1	Very low	137 Å²	137	130.7 Å²	130.7	83%	0.83	70%	0.7	S	S	*	*			trans	-61.9	121.5	172.7	178.7	0	0	0	0	110.1	Q84 P88	Q84-V86 PolarHBondContact O-N 2.89Å; V86-P88 VanDerWaalsContact O-CD 3.3Å; V86-P88 WeakPolarHBondContact O-CD 3.44Å
87	K	29.7	Very low	37.4	Very low	193 Å²	193	129 Å²	129	84%	0.839	69%	0.691	S	S	*	*			trans	-61.4	115.2	-175.6	-66.3	180	179.5	178.2	0	111.5	S85	S85-K87 PolarHBondContact O-N 3.48Å
88	P	33	Very low	37.2	Very low	116 Å²	116	132.4 Å²	132.4	75%	0.753	70%	0.698	S	S	*	*			trans	-75.6	127.9	178.1	30.1	-33.4	0	0	0	110.9	V86 K90	V86-P88 VanDerWaalsContact O-CD 3.3Å; V86-P88 WeakPolarHBondContact O-CD 3.44Å; P88-K90 PolarHBondContact O-N 3.26Å; P88-K90 VanDerWaalsContact O-N 3.15Å
89	K	30.7	Very low	36.9	Very low	199 Å²	199	135.3 Å²	135.3	87%	0.865	71%	0.706	S	S	*	*			trans	-70.5	107.1	169.2	-71.9	-178.2	178.4	176.5	0	109.2	N91	K89-N91 PolarHBondContact O-N 3.36Å
90	K	33.7	Very low	36.3	Very low	182 Å²	182	132 Å²	132	79%	0.791	71%	0.71	S	S	*	*			trans	-66.3	89.3	173.9	-74.6	-175	178.3	178.6	0	111	P88 V92	P88-K90 PolarHBondContact O-N 3.26Å; P88-K90 VanDerWaalsContact O-N 3.15Å; K90-V92 HydrophobicContact CB-CG2 4.44Å
91	N	32.2	Very low	35.8	Very low	152 Å²	152	134.7 Å²	134.7	81%	0.813	73%	0.725	S	S	*	*			trans	-88.1	98.8	150	-77.8	8.7	0	0	0	107	K89	K89-N91 PolarHBondContact O-N 3.36Å
92	V	34.3	Very low	35.4	Very low	126 Å²	126	133.7 Å²	133.7	76%	0.764	74%	0.737	S	S	*	*			trans	-81.8	120.5	172.2	-179.1	0	0	0	0	108.1	K90	K90-V92 HydrophobicContact CB-CG2 4.44Å
93	V	31.4	Very low	35.1	Very low	116 Å²	116	134.6 Å²	134.6	70%	0.703	74%	0.744	S	S	*	*			trans	-111.3	130	163.6	178.8	0	0	0	0	105.5
94	S	33.5	Very low	34.9	Very low	65 Å²	65	140.8 Å²	140.8	46%	0.455	76%	0.761	S	S	.	*			trans	-77.5	155.5	178.1	-150.1	0	0	0	0	110.5	D96	S94-D96 WeakPolarHBondContact CB-OD2 3.4Å; S94-D96 PolarHBondContact O-N 3.06Å; S94-D96 PolarHBondContact OG-OD2 3.11Å
95	V	38.2	Very low	34.6	Very low	131 Å²	131	144.3 Å²	144.3	79%	0.794	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-72.3	-17.6	179.2	179.2	0	0	0	0	111.5
96	D	43.3	Very low	34.6	Very low	127 Å²	127	145.2 Å²	145.2	68%	0.679	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-79	-20.4	-173.6	-39.8	-81.2	0	0	0	114.1	S94 F98	S94-D96 WeakPolarHBondContact CB-OD2 3.4Å; S94-D96 PolarHBondContact O-N 3.06Å; S94-D96 PolarHBondContact OG-OD2 3.11Å; D96-F98 PolarHBondContact O-N 3.37Å
97	D	42.7	Very low	34.3	Very low	132 Å²	132	146.3 Å²	146.3	71%	0.706	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-68.5	0.6	179.6	-75.1	-37.9	0	0	0	113.4
98	F	40	Very low	34.4	Very low	167 Å²	167	142 Å²	142	73%	0.732	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-81.9	-16.4	-177	-157	-98.1	0	0	0	114.2	D96	D96-F98 PolarHBondContact O-N 3.37Å
99	F	37.2	Very low	34.3	Very low	189 Å²	189	146.4 Å²	146.4	83%	0.829	79%	0.787	S	S	*	*	S	Bend	trans	-138.1	72.6	-178.1	-70.4	-73.9	0	0	0	112.7
100	G	32.6	Very low	34.4	Very low	74 Å²	74	142.3 Å²	142.3	76%	0.763	78%	0.781	S	S	*	*			trans	-163	102.5	176.3	0	0	0	0	0	114.9
101	S	34.5	Very low	34.1	Very low	126 Å²	126	139.8 Å²	139.8	88%	0.881	79%	0.785	S	S	*	*			trans	-91.8	122.9	-179.8	-71.6	0	0	0	0	113.3
102	S	32.1	Very low	34.2	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	78%	0.784	S	S	*	*			trans	42.4	109.2	147.3	179.8	0	0	0	0	120
103	E	35.3	Very low	34	Very low	192 Å²	192	137 Å²	137	90%	0.897	78%	0.783	S	S	*	*				-161.6	174.2	119.7	-115.7	174.5	-149.9	0	0	113.2
104	K	35.1	Very low	34.2	Very low	206 Å²	206	136.2 Å²	136.2	90%	0.896	79%	0.789	S	S	*	*			trans	-123.2	129.6	-167.9	-72.2	176.7	-179.3	168.5	0	114.5
105	K	29.5	Very low	34.2	Very low	198 Å²	198	140.1 Å²	140.1	86%	0.861	80%	0.804	S	S	*	*			trans	-27.1	148	160	-84	176	-179.2	172.4	0	115.5
106	P	33.2	Very low	34.2	Very low	113 Å²	113	140.3 Å²	140.3	73%	0.734	81%	0.806	S	S	*	*				-154.3	155.9	66.1	41.1	-21.2	0	0	0	121.4
107	N	28.2	Very low	34	Very low	160 Å²	160	139 Å²	139	86%	0.856	81%	0.805	S	S	*	*			trans	38.1	114.4	144.4	-63.9	-11.3	0	0	0	122.4
108	A	31.8	Very low	33.7	Very low	103 Å²	103	138.7 Å²	138.7	85%	0.851	81%	0.81	S	S	*	*			trans	-137.9	171.6	142.7	0	0	0	0	0	110.4
109	K	31.3	Very low	33.6	Very low	208 Å²	208	139.2 Å²	139.2	90%	0.904	81%	0.814	S	S	*	*			trans	-134	165.6	-176.5	-102.2	-165.6	174.9	-174.9	0	112.3
110	P	31.6	Very low	33.8	Very low	113 Å²	113	134.8 Å²	134.8	73%	0.734	81%	0.807	S	S	*	*			trans	-103.2	168	-148.9	39.9	-39.2	0	0	0	116.7
111	C	29.1	Very low	33.9	Very low	129 Å²	129	137.6 Å²	137.6	87%	0.872	81%	0.812	S	S	*	*			trans	-121.5	167.5	157.2	-69	0	0	0	0	108.3
112	A	32.7	Very low	33.9	Very low	96 Å²	96	140 Å²	140	79%	0.793	81%	0.811	S	S	*	*			cis	-160.2	158	-32.2	0	0	0	0	0	107.5
113	V	30.3	Very low	34	Very low	125 Å²	125	143.2 Å²	143.2	76%	0.758	81%	0.814	S	S	*	*			trans	-70.1	141.7	-172.6	178.9	0	0	0	0	112.6	N115	V113-N115 WeakPolarHBondContact CG1-OD1 3.26Å
114	A	35.2	Very low	34	Very low	99 Å²	99	140.9 Å²	140.9	82%	0.818	81%	0.806	S	S	*	*			trans	-133.7	133.8	154.4	0	0	0	0	0	108.7
115	N	34.4	Very low	34.1	Very low	146 Å²	146	137.3 Å²	137.3	78%	0.781	80%	0.796	S	S	*	*			trans	-97.1	151.7	-175.3	-61.3	-30	0	0	0	111.2	V113	V113-N115 WeakPolarHBondContact CG1-OD1 3.26Å
116	T	37.8	Very low	34.8	Very low	135 Å²	135	132.2 Å²	132.2	83%	0.828	78%	0.783	S	S	*	*			trans	-126.1	154.9	162.3	43.3	0	0	0	0	110.8
117	P	39.5	Very low	35	Very low	100 Å²	100	134.7 Å²	134.7	65%	0.649	79%	0.79	S	S	*	*			trans	-83.8	162.4	-163.6	-11.2	30.1	0	0	0	113.9
118	P	35.6	Very low	35.6	Very low	126 Å²	126	131.9 Å²	131.9	82%	0.818	78%	0.778	S	S	*	*			trans	-73.5	138.9	176.4	31.4	-34.6	0	0	0	111.8
119	H	39.6	Very low	36	Very low	178 Å²	178	132.4 Å²	132.4	82%	0.824	77%	0.773	S	S	*	*			trans	-117.5	159.5	167.3	-84.3	-83.6	0	0	0	111.1
120	S	40.3	Very low	36.2	Very low	95 Å²	95	128.6 Å²	128.6	66%	0.664	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-62.4	155.3	-170.1	43.8	0	0	0	0	114.5	M122	S120-M122 PolarHBondContact O-N 3.21Å
121	P	35.5	Very low	36.4	Very low	134 Å²	134	130.9 Å²	130.9	87%	0.87	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-63	121.4	177.5	26.9	-34.8	0	0	0	111.1
122	M	34.5	Very low	36.7	Very low	175 Å²	175	129 Å²	129	86%	0.862	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-86.8	145.1	163.1	-70.7	-176.8	66.9	0	0	109.9	S120	S120-M122 PolarHBondContact O-N 3.21Å
123	E	33	Very low	36.8	Very low	177 Å²	177	130.5 Å²	130.5	83%	0.827	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-67.3	142.4	-179.9	-60.9	-179.7	129.2	0	0	111.6	I125	E123-I125 PolarHBondContact O-N 3Å
124	I	36.6	Very low	37.2	Very low	142 Å²	142	133.2 Å²	133.2	73%	0.728	76%	0.764	S	S	*	*			trans	-82.7	85.7	178	-55.7	176.1	0	0	0	108.5	P126	I124-P126 WeakPolarHBondContact O-CD 3.41Å
125	I	36.3	Very low	37.1	Very low	132 Å²	132	134.6 Å²	134.6	68%	0.677	76%	0.762	S	S	*	*			trans	-78.1	120.6	162.1	-57.5	177.4	0	0	0	107.2	E123 D127	E123-I125 PolarHBondContact O-N 3Å; I125-D127 PolarHBondContact O-N 2.91Å
126	P	44.1	Very low	37	Very low	91 Å²	91	133.7 Å²	133.7	59%	0.591	77%	0.765	S	S	*	*			trans	-75	120.9	172.3	29.7	-31.9	0	0	0	109.9	I124 T128	I124-P126 WeakPolarHBondContact O-CD 3.41Å; P126-T128 PolarHBondContact O-N 3.29Å
127	D	36.9	Very low	36.8	Very low	164 Å²	164	135.9 Å²	135.9	88%	0.877	77%	0.77	S	S	*	*			trans	-69.5	70.6	173.6	-79.4	-38.6	0	0	0	111.9	I125	I125-D127 PolarHBondContact O-N 2.91Å
128	T	41.8	Very low	36.4	Very low	101 Å²	101	134.3 Å²	134.3	62%	0.62	77%	0.773	S	S	*	*			trans	-88.7	124.5	164.5	52.2	0	0	0	0	109.4	P126 V130	P126-T128 PolarHBondContact O-N 3.29Å; T128-V130 PolarHBondContact O-N 2.89Å; T128-V130 VanDerWaalsContact O-N 3.16Å
129	P	40.2	Very low	36.3	Very low	115 Å²	115	136.4 Å²	136.4	75%	0.747	78%	0.775	S	S	*	*			trans	-65	118.1	179.4	26.2	-33.6	0	0	0	110.6	L131	P129-L131 PolarHBondContact O-N 2.66Å
130	V	34.9	Very low	35.9	Very low	128 Å²	128	139.5 Å²	139.5	78%	0.776	78%	0.779	S	S	*	*			trans	-73.4	96.8	-176.2	-179.3	0	0	0	0	110.7	T128 S132	T128-V130 PolarHBondContact O-N 2.89Å; T128-V130 VanDerWaalsContact O-N 3.16Å; V130-S132 PolarHBondContact O-N 2.98Å
131	L	35.9	Very low	35.4	Very low	160 Å²	160	138 Å²	138	84%	0.838	78%	0.78	S	S	*	*			trans	-72	105.4	156.5	-80.7	91.6	0	0	0	108.3	P129	P129-L131 PolarHBondContact O-N 2.66Å
132	S	36.4	Very low	35.1	Very low	91 Å²	91	136.5 Å²	136.5	64%	0.636	77%	0.772	S	S	*	*			trans	-81	126.4	180	54	0	0	0	0	111.6	V130	V130-S132 PolarHBondContact O-N 2.98Å
133	P	33.7	Very low	35	Very low	126 Å²	126	136.9 Å²	136.9	82%	0.818	77%	0.771	S	S	*	*			trans	-86.2	120	173.1	32.2	-30.7	0	0	0	110.2
134	K	38.4	Very low	34.8	Very low	183 Å²	183	132.1 Å²	132.1	80%	0.796	77%	0.77	S	S	*	*			trans	-126.1	102.5	170	-79.9	-167.6	173.7	-176.9	0	112.5
135	T	34.9	Very low	34.6	Very low	127 Å²	127	131.3 Å²	131.3	78%	0.779	78%	0.777	S	S	*	*			trans	52.3	125	145.7	49	0	0	0	0	120
136	P	30.2	Very low	34.2	Very low	128 Å²	128	130.5 Å²	130.5	83%	0.831	78%	0.782	S	S	*	*			trans	-80.5	130.3	172.2	33.5	-32.8	0	0	0	112
137	L	35.2	Very low	33.7	Very low	180 Å²	180	131.9 Å²	131.9	94%	0.942	79%	0.792	S	S	*	*			trans	-147.2	138.2	158.9	-99.2	163	0	0	0	106.8
138	G	29.8	Very low	33.4	Very low	68 Å²	68	133.2 Å²	133.2	70%	0.701	79%	0.793	S	S	*	*			trans	-114.5	-150.4	-166.1	0	0	0	0	0	114.7
139	I	34.2	Very low	32.6	Very low	170 Å²	170	134 Å²	134	87%	0.872	80%	0.798	S	S	*	*			trans	86.2	141	179.2	-52.4	172.6	0	0	0	114.4
140	R	30.7	Very low	32	Very low	242 Å²	242	135.7 Å²	135.7	91%	0.913	80%	0.8	S	S	*	*			trans	-30.8	149.1	177.2	-56.2	160.3	172.2	175.6	-5.6	115.6
141	G	30.3	Very low	31.5	Very low	65 Å²	65	135.6 Å²	135.6	67%	0.67	80%	0.8	S	S	*	*			cis	135.4	161.9	1.2	0	0	0	0	0	113.1
142	S	28.6	Very low	31.3	Very low	101 Å²	101	134.6 Å²	134.6	71%	0.706	79%	0.794	S	S	*	*			trans	64.2	145	175.1	73.9	0	0	0	0	119.4
143	H	32	Very low	30.7	Very low	184 Å²	184	135.8 Å²	135.8	85%	0.852	80%	0.797	S	S	*	*			trans	62.7	142.8	172.5	-44.2	-70.7	0	0	0	117.9
144	G	29.1	Very low	30.6	Very low	77 Å²	77	137.5 Å²	137.5	79%	0.794	80%	0.798	S	S	*	*			cis	140	69.8	-7.4	0	0	0	0	0	114.2
145	S	33.4	Very low	30.1	Very low	125 Å²	125	136.8 Å²	136.8	87%	0.874	80%	0.798	S	S	*	*			trans	-142.8	160.3	165.7	57.9	0	0	0	0	110.2
146	S	28	Very low	29.8	Very low	114 Å²	114	135.4 Å²	135.4	80%	0.797	79%	0.793	S	S	*	*			trans	-127	-179.2	-165.3	83.3	0	0	0	0	110.5
147	P	32.7	Very low	29.9	Very low	121 Å²	121	136.5 Å²	136.5	79%	0.786	80%	0.797	S	S	*	*				-100.5	157	-128.9	36.3	-28.7	0	0	0	114.1
148	Q	31.1	Very low	29.5	Very low	192 Å²	192	136.6 Å²	136.6	90%	0.897	79%	0.79	S	S	*	*			trans	-127	125.9	162.7	-73.4	-167.1	-13.8	0	0	112.5
149	T	24.1	Very low	29.4	Very low	118 Å²	118	139.7 Å²	139.7	72%	0.724	80%	0.796	S	S	*	*			trans	-31.4	137.8	156.3	-26.1	0	0	0	0	113.7
150	N	29.3	Very low	29.1	Very low	150 Å²	150	137.3 Å²	137.3	80%	0.802	79%	0.789	S	S	*	*				-160.6	129.9	120.8	-97.3	-27.4	0	0	0	111
151	V	24.5	Very low	29.1	Very low	126 Å²	126	130.5 Å²	130.5	76%	0.764	78%	0.778	S	S	*	*			trans	-84.6	117.6	171.4	175.4	0	0	0	0	107.3	V153	V151-V153 HydrophobicContact CG1-CG2 4.29Å
152	I	30.1	Very low	29.1	Very low	139 Å²	139	135 Å²	135	71%	0.713	79%	0.787	S	S	*	*			trans	-105.7	100.7	172.2	-60.4	179.9	0	0	0	108	L154	I152-L154 HydrophobicContact CG2-CG 4.24Å
153	V	24.5	Very low	29.2	Very low	116 Å²	116	138.7 Å²	138.7	70%	0.703	79%	0.793	S	S	*	*			trans	-74.1	137.3	159.7	178.5	0	0	0	0	107.1	V151	V151-V153 HydrophobicContact CG1-CG2 4.29Å
154	L	31.3	Very low	29.2	Very low	162 Å²	162	137.1 Å²	137.1	85%	0.848	80%	0.797	S	S	*	*			trans	-117.8	123.7	175.2	-100.1	165.1	0	0	0	110	I152	I152-L154 HydrophobicContact CG2-CG 4.24Å
155	E	28.1	Very low	29.4	Very low	167 Å²	167	139.1 Å²	139.1	78%	0.78	80%	0.799	S	S	*	*			trans	-99.1	149.5	-172	-64.1	-179.4	96.4	0	0	113.4
156	S	27.7	Very low	29.4	Very low	98 Å²	98	138.2 Å²	138.2	69%	0.685	79%	0.793	S	S	*	*			trans	37	120.6	146.7	68.6	0	0	0	0	121.6
157	V	32.4	Very low	29.8	Very low	152 Å²	152	141.4 Å²	141.4	92%	0.921	80%	0.797	S	S	*	*			trans	-128.8	145.9	136.2	-178.5	0	0	0	0	107.9
158	K	27.5	Very low	30.2	Very low	182 Å²	182	139.1 Å²	139.1	79%	0.791	79%	0.788	S	S	*	*			trans	-106	140.2	-168.4	-60.4	170.2	-180	171.6	0	112.6
159	T	27	Very low	30.6	Very low	133 Å²	133	136 Å²	136	82%	0.816	78%	0.778	S	S	*	*			trans	-164.6	129.6	140.2	1.1	0	0	0	0	114.5
160	T	28.6	Very low	31.3	Very low	119 Å²	119	138.1 Å²	138.1	73%	0.73	78%	0.779	S	S	*	*			trans	44.1	102.7	148.3	49.7	0	0	0	0	122.8
161	S	30.3	Very low	32.2	Very low	99 Å²	99	135 Å²	135	69%	0.692	77%	0.77	S	S	*	*				53.1	111.1	128.7	62.3	0	0	0	0	121.8
162	N	31.3	Very low	33.2	Very low	160 Å²	160	134.5 Å²	134.5	86%	0.856	76%	0.762	S	S	*	*				-161.7	167.1	83.1	-104.4	-28	0	0	0	112.6
163	Q	29.4	Very low	33.6	Very low	178 Å²	178	133 Å²	133	83%	0.832	76%	0.755	S	S	*	*			trans	-95.9	137.8	-160.3	-56.9	167.4	-1.2	0	0	113.6
164	T	32.1	Very low	34.5	Very low	151 Å²	151	133.2 Å²	133.2	93%	0.926	75%	0.753	S	S	*	*			trans	175.3	37.1	144.7	27.3	0	0	0	0	115.9
165	S	34.6	Very low	35.3	Very low	120 Å²	120	129.2 Å²	129.2	84%	0.839	74%	0.738	S	S	*	*			trans	-155.8	112.8	175.6	59.4	0	0	0	0	114.8
166	S	32.4	Very low	36.7	Very low	106 Å²	106	126 Å²	126	74%	0.741	73%	0.725	S	S	*	*			trans	-156.4	-31.7	173.8	56.1	0	0	0	0	117	A168	S166-A168 VanDerWaalsContact C-N 3.32Å; S166-A168 PolarHBondContact O-N 3.04Å
167	M	37.8	Very low	37.8	Very low	181 Å²	181	127 Å²	127	89%	0.892	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-1.8	-167.9	-77.6	-178.7	158.1	0	0	117.5
168	A	40.1	Very low	39	Very low	72 Å²	72	124.9 Å²	124.9	60%	0.595	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-22.9	-171.5	0	0	0	0	0	115.3	S166	S166-A168 VanDerWaalsContact C-N 3.32Å; S166-A168 PolarHBondContact O-N 3.04Å
169	N	38.9	Very low	40.3	Very low	127 Å²	127	118.5 Å²	118.5	68%	0.679	68%	0.682	S	S	*	*	S	Bend	trans	-91.9	-22.9	-161.1	-72.2	0.5	0	0	0	115
170	E	40.5	Very low	41.7	Very low	162 Å²	162	115.5 Å²	115.5	76%	0.757	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-38.4	-173.9	-65.5	-179.9	137.3	0	0	112.4	L172 N173	E170-L172 PolarHBondContact O-N 3.44Å; E170-N173 PolarHBondContact O-N 3.37Å
171	S	46.2	Very low	42.9	Very low	86 Å²	86	115.6 Å²	115.6	60%	0.601	65%	0.654	S	S	*	*	H	α-helix	trans	-65.6	-13.3	-176.3	58.3	0	0	0	0	115.4
172	L	45.5	Very low	44.1	Very low	114 Å²	114	116.2 Å²	116.2	60%	0.597	65%	0.65	S	S	*	*	H	α-helix	trans	-81.1	-27.9	-176.9	-110	165.3	0	0	0	113.2	E170	E170-L172 PolarHBondContact O-N 3.44Å
173	N	38.8	Very low	45.6	Very low	107 Å²	107	115.3 Å²	115.3	57%	0.572	63%	0.634	S	S	*	*	H	α-helix	trans	-76.8	-45.3	-172.5	-73	-25.1	0	0	0	112.8	E170 S175 I176	E170-N173 PolarHBondContact O-N 3.37Å; N173-S175 PolarHBondContact O-N 2.99Å; N173-S175 VanDerWaalsContact O-N 3.16Å; N173-I176 WeakPolarHBondContact O-CB 3.22Å; N173-I176 PolarHBondContact O-N 2.98Å
174	D	43.3	Very low	47.4	Very low	122 Å²	122	114.5 Å²	114.5	65%	0.652	63%	0.628	S	S	*	*	H	α-helix	trans	-56.8	-34.7	180	-70.2	-9.7	0	0	0	112.8	I176 E177	D174-I176 PolarHBondContact O-N 3.33Å; D174-E177 PolarHBondContact O-N 3.05Å
175	S	48.9	Very low	48.8	Very low	78 Å²	78	113.7 Å²	113.7	55%	0.545	61%	0.613	S	S	.	*	H	α-helix	trans	-62.7	-27.8	177.9	-64.4	0	0	0	0	113.1	N173	N173-S175 PolarHBondContact O-N 2.99Å; N173-S175 VanDerWaalsContact O-N 3.16Å
176	I	57.8	Low	50.3	Low	100 Å²	100	112.6 Å²	112.6	51%	0.513	59%	0.594	S	S	.	*	H	α-helix	trans	-80.1	-39.8	-175.8	-62	171.4	0	0	0	110.9	N173 D174 I178 A179 V180	N173-I176 WeakPolarHBondContact O-CB 3.22Å; N173-I176 PolarHBondContact O-N 2.98Å; D174-I176 PolarHBondContact O-N 3.33Å; I176-I178 PolarHBondContact O-N 2.8Å; I176-A179 PolarHBondContact O-N 2.97Å; I176-V180 PolarHBondContact O-N 3.2Å
177	E	50.6	Low	51.9	Low	118 Å²	118	115.8 Å²	115.8	55%	0.551	59%	0.59	S	S	*	*	H	α-helix	trans	-59.7	-45.2	178.8	-84.1	-129.7	168	0	0	113	D174 A179 V180 K181	D174-E177 PolarHBondContact O-N 3.05Å; E177-A179 VanDerWaalsContact C-N 3.31Å; E177-A179 PolarHBondContact O-N 3.3Å; E177-V180 PolarHBondContact O-N 3.17Å; E177-V180 VanDerWaalsContact O-N 3.09Å; E177-K181 PolarHBondContact O-N 3.46Å; E177-K181 IonicContact OE2-NZ 2.71Å; E177-K181 PolarHBondContact OE2-NZ 2.86Å
178	I	57.1	Low	53.1	Low	108 Å²	108	109.7 Å²	109.7	55%	0.554	57%	0.568	S	S	*	*	H	α-helix	trans	-59.9	-46.4	-179.6	-61.6	170.3	0	0	0	109.5	I176 V180 K181 D182	I176-I178 PolarHBondContact O-N 2.8Å; I178-V180 PolarHBondContact O-N 3.19Å; I178-V180 VanDerWaalsContact O-N 3.16Å; I178-K181 PolarHBondContact O-N 2.89Å; I178-K181 VanDerWaalsContact O-N 3.1Å; I178-D182 PolarHBondContact O-N 3.27Å
179	A	54.8	Low	54.3	Low	47 Å²	47	113.5 Å²	113.5	39%	0.388	57%	0.568	S	S	.	*	H	α-helix	trans	-65.6	-15.3	177.8	0	0	0	0	0	114.3	I176 E177 R183	I176-A179 PolarHBondContact O-N 2.97Å; E177-A179 VanDerWaalsContact C-N 3.31Å; E177-A179 PolarHBondContact O-N 3.3Å; A179-R183 PolarHBondContact O-NE 3.16Å; A179-R183 PolarHBondContact O-NH2 3.01Å
180	V	57.1	Low	55.6	Low	70 Å²	70	113 Å²	113	42%	0.424	56%	0.56	S	S	.	*	H	α-helix	trans	-83.5	-39	171	174.3	0	0	0	0	111.3	I176 E177 I178 R183	I176-V180 PolarHBondContact O-N 3.2Å; E177-V180 PolarHBondContact O-N 3.17Å; E177-V180 VanDerWaalsContact O-N 3.09Å; I178-V180 PolarHBondContact O-N 3.19Å; I178-V180 VanDerWaalsContact O-N 3.16Å; V180-R183 PolarHBondContact O-N 3.21Å
181	K	53.3	Low	56.9	Low	121 Å²	121	109.4 Å²	109.4	53%	0.526	56%	0.558	S	S	.	*	H	α-helix	trans	-66.1	-41.8	-178.4	-73.9	158	176.3	154.7	0	112.3	E177 I178 R183 H185	E177-K181 PolarHBondContact O-N 3.46Å; E177-K181 IonicContact OE2-NZ 2.71Å; E177-K181 PolarHBondContact OE2-NZ 2.86Å; I178-K181 PolarHBondContact O-N 2.89Å; I178-K181 VanDerWaalsContact O-N 3.1Å; K181-R183 PolarHBondContact O-N 2.91Å; K181-H185 PolarHBondContact O-ND1 2.92Å
182	D	55.7	Low	57.8	Low	112 Å²	112	108.5 Å²	108.5	60%	0.599	54%	0.542	S	S	*	.	H	α-helix	trans	-63.7	-36.7	177.9	-81.7	-18.2	0	0	0	113.5	I178 K184 H185	I178-D182 PolarHBondContact O-N 3.27Å; D182-K184 VanDerWaalsContact C-N 3.3Å; D182-K184 PolarHBondContact O-N 3.35Å; D182-H185 PolarHBondContact O-N 3.5Å
183	R	62.9	Low	59.2	Low	142 Å²	142	107.8 Å²	107.8	54%	0.536	54%	0.538	S	S	.	.	H	α-helix	trans	-61.6	-34.6	-176.2	-82.3	-178	-81.8	178.4	-4.9	113	A179 V180 K181 H185 F186 W187	A179-R183 PolarHBondContact O-NE 3.16Å; A179-R183 PolarHBondContact O-NH2 3.01Å; V180-R183 PolarHBondContact O-N 3.21Å; K181-R183 PolarHBondContact O-N 2.91Å; R183-H185 PolarHBondContact O-N 3.32Å; R183-F186 PolarHBondContact O-N 3.1Å; R183-W187 PolarHBondContact O-N 3.46Å
184	K	66.3	Low	60.9	Low	161 Å²	161	105 Å²	105	70%	0.7	54%	0.535	S	S	*	.	H	α-helix	trans	-59.7	-43.2	180	-70.8	-172.4	175.7	-176.3	0	112.5	D182 F186 W187 A188	D182-K184 VanDerWaalsContact C-N 3.3Å; D182-K184 PolarHBondContact O-N 3.35Å; K184-F186 VanDerWaalsContact C-N 3.34Å; K184-F186 PolarHBondContact O-N 3.48Å; K184-W187 PolarHBondContact O-N 3.21Å; K184-A188 PolarHBondContact O-N 2.95Å; K184-A188 VanDerWaalsContact O-N 3.1Å
185	H	63.2	Low	62.5	Low	133 Å²	133	100.3 Å²	100.3	62%	0.616	51%	0.511	S	S	*	.	H	α-helix	trans	-66.1	-35.1	-179.3	-62	101.1	0	0	0	112.8	K181 D182 R183 Y189	K181-H185 PolarHBondContact O-ND1 2.92Å; D182-H185 PolarHBondContact O-N 3.5Å; R183-H185 PolarHBondContact O-N 3.32Å; H185-Y189 WeakPolarHBondContact O-CB 3.47Å; H185-Y189 PolarHBondContact O-N 3Å
186	F	65.9	Low	63.8	Low	98 Å²	98	104.8 Å²	104.8	43%	0.43	52%	0.516	S	S	.	.	H	α-helix	trans	-68	-40.6	177.2	179.6	-97.3	0	0	0	112.6	R183 K184 Y189 K190	R183-F186 PolarHBondContact O-N 3.1Å; K184-F186 VanDerWaalsContact C-N 3.34Å; K184-F186 PolarHBondContact O-N 3.48Å; F186-Y189 PolarHBondContact O-N 3.46Å; F186-K190 HydrophobicContact CE1-CD 4.26Å; F186-K190 HydrophobicContact CZ-CD 4.38Å; F186-K190 PolarHBondContact O-N 3.29Å
187	W	65.5	Low	64.8	Low	172 Å²	172	101.8 Å²	101.8	65%	0.652	50%	0.504	S	S	*	.	H	α-helix	trans	-67	-43.6	175.6	-68	116.1	0	0	0	111.8	R183 K184 Y189 K190 A191	R183-W187 PolarHBondContact O-N 3.46Å; K184-W187 PolarHBondContact O-N 3.21Å; W187-Y189 VanDerWaalsContact C-N 3.29Å; W187-Y189 PolarHBondContact O-N 2.66Å; W187-K190 PolarHBondContact O-N 3.14Å; W187-A191 PolarHBondContact O-N 3.17Å
188	A	62.6	Low	66	Low	54 Å²	54	100.9 Å²	100.9	45%	0.446	50%	0.502	S	S	.	.	H	α-helix	trans	-59.3	-38.1	174.3	0	0	0	0	0	112.5	K184 K190 A191 R192	K184-A188 PolarHBondContact O-N 2.95Å; K184-A188 VanDerWaalsContact O-N 3.1Å; A188-K190 VanDerWaalsContact C-N 3.28Å; A188-K190 PolarHBondContact O-N 3.08Å; A188-A191 PolarHBondContact O-N 3.41Å; A188-R192 WeakPolarHBondContact O-CG 3.39Å
189	Y	66.3	Low	66.6	Low	152 Å²	152	98.9 Å²	98.9	60%	0.596	51%	0.508	S	S	*	.	H	α-helix	trans	-64.8	-28.7	175	177.8	-103.1	0	0	0	113.7	H185 F186 W187 R192	H185-Y189 WeakPolarHBondContact O-CB 3.47Å; H185-Y189 PolarHBondContact O-N 3Å; F186-Y189 PolarHBondContact O-N 3.46Å; W187-Y189 VanDerWaalsContact C-N 3.29Å; W187-Y189 PolarHBondContact O-N 2.66Å; Y189-R192 WeakPolarHBondContact O-CD 3.16Å
190	K	64.9	Low	67.6	Low	116 Å²	116	100.1 Å²	100.1	50%	0.504	51%	0.514	S	S	.	.	H	α-helix	trans	-83.6	-20.4	-179.5	-94.6	-159	163.8	-146.5	0	114.8	F186 W187 A188	F186-K190 HydrophobicContact CE1-CD 4.26Å; F186-K190 HydrophobicContact CZ-CD 4.38Å; F186-K190 PolarHBondContact O-N 3.29Å; W187-K190 PolarHBondContact O-N 3.14Å; A188-K190 VanDerWaalsContact C-N 3.28Å; A188-K190 PolarHBondContact O-N 3.08Å
191	A	69.3	Low	68.4	Low	87 Å²	87	103 Å²	103	72%	0.719	52%	0.517	S	S	*	.	S	Bend	trans	-101.1	31.9	-171.9	0	0	0	0	0	113.3	W187 A188	W187-A191 PolarHBondContact O-N 3.17Å; A188-A191 PolarHBondContact O-N 3.41Å
192	R	64.9	Low	69.5	Low	67 Å²	67	106 Å²	106	25%	0.253	53%	0.533	S	S	.	.			trans	-97.7	141.7	-169.2	-64.8	179.9	163.8	-163.3	-6.4	113.1	A188 Y189 I221 E257	A188-R192 WeakPolarHBondContact O-CG 3.39Å; Y189-R192 WeakPolarHBondContact O-CD 3.16Å; R192-I221 HydrophobicContact CB-CD1 3.84Å; R192-I221 HydrophobicContact CG-CD1 4.33Å; R192-E257 VanDerWaalsContact CZ-CB 3.48Å; R192-E257 IonicContact CZ-OE2 3.97Å; R192-E257 IonicContact NE-OE2 2.86Å; R192-E257 PolarHBondContact NE-OE2 3.38Å; R192-E257 PolarHBondContact NH1-O 3.47Å; R192-E257 PolarHBondContact NH2-O 3.32Å; R192-E257 IonicContact NH2-OE2 2.72Å; R192-E257 PolarHBondContact NH2-OE2 3.3Å
193	D	73.2	Confident	70.6	Confident	99 Å²	99	104.7 Å²	104.7	53%	0.529	53%	0.525	S	S	.	.			trans	-62	158.3	165.5	-61.6	-28.2	0	0	0	111.7	R196 I221	D193-R196 IonicContact OD2-CZ 3.02Å; D193-R196 IonicContact OD2-NE 2.84Å; D193-R196 PolarHBondContact OD2-NE 2.99Å; D193-R196 IonicContact OD2-NH2 2.73Å; D193-R196 PolarHBondContact OD2-NH2 3.24Å; D193-I221 WeakPolarHBondContact O-CD1 3.42Å
194	G	76.1	Confident	71.4	Confident	48 Å²	48	98.8 Å²	98.8	50%	0.495	51%	0.505	S	S	.	.			trans	-75.2	-175.2	163.7	0	0	0	0	0	113.3	R196	G194-R196 PolarHBondContact O-N 3.06Å
195	P	77	Confident	71.9	Confident	23 Å²	23	100.7 Å²	100.7	15%	0.149	51%	0.513	C	S	.	.			trans	-55.7	130.6	172	-23.4	34.2	0	0	0	111.3	S197 L198 I221 L222	P195-S197 PolarHBondContact O-N 2.67Å; P195-L198 HydrophobicContact CB-CD1 3.95Å; P195-L198 HydrophobicContact CB-CG 3.91Å; P195-L198 HydrophobicContact CG-CD1 4.16Å; P195-L198 HydrophobicContact CG-CG 4.34Å; P195-I221 HydrophobicContact CG-CG2 4.27Å; P195-L222 WeakPolarHBondContact CA-O 3.36Å; P195-L222 VanDerWaalsContact CB-O 3.23Å; P195-L222 WeakPolarHBondContact CB-O 3.39Å
196	R	76	Confident	72.5	Confident	172 Å²	172	95.5 Å²	95.5	65%	0.649	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-6.8	-173.2	-69.7	-170.7	176	-178.5	0.7	114.8	D193 G194	D193-R196 IonicContact OD2-CZ 3.02Å; D193-R196 IonicContact OD2-NE 2.84Å; D193-R196 PolarHBondContact OD2-NE 2.99Å; D193-R196 IonicContact OD2-NH2 2.73Å; D193-R196 PolarHBondContact OD2-NH2 3.24Å; G194-R196 PolarHBondContact O-N 3.06Å
197	S	77.7	Confident	73.1	Confident	37 Å²	37	93.9 Å²	93.9	26%	0.259	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.1	40.2	-172.7	50.5	0	0	0	0	112.4	P195 G199 S200 E223	P195-S197 PolarHBondContact O-N 2.67Å; S197-G199 PolarHBondContact O-N 2.96Å; S197-S200 WeakPolarHBondContact CB-OG 3.12Å; S197-S200 WeakPolarHBondContact O-CB 3.4Å; S197-S200 PolarHBondContact O-N 2.73Å; S197-S200 PolarHBondContact O-OG 3.29Å; S197-E223 CarbonylContact C-O 3.3Å; S197-E223 WeakPolarHBondContact CA-O 3.41Å; S197-E223 PolarHBondContact N-O 3.27Å; S197-E223 VanDerWaalsContact N-O 3.07Å; S197-E223 PolarHBondContact OG-O 3.03Å
198	L	76.3	Confident	73.8	Confident	100 Å²	100	90.5 Å²	90.5	52%	0.524	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	127.9	171	-91.6	144.3	0	0	0	111.4	P195 S200 E223 C224 E226	P195-L198 HydrophobicContact CB-CD1 3.95Å; P195-L198 HydrophobicContact CB-CG 3.91Å; P195-L198 HydrophobicContact CG-CD1 4.16Å; P195-L198 HydrophobicContact CG-CG 4.34Å; L198-S200 PolarHBondContact O-N 3.08Å; L198-E223 PolarHBondContact N-O 3.41Å; L198-C224 WeakPolarHBondContact CA-O 3.34Å; L198-E226 HydrophobicContact CD2-CG 4.21Å
199	G	69.9	Low	74.7	Confident	65 Å²	65	92.1 Å²	92.1	67%	0.67	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	7.1	178.7	0	0	0	0	0	116.1	S197 R201 C224	S197-G199 PolarHBondContact O-N 2.96Å; G199-R201 PolarHBondContact O-N 2.86Å; G199-C224 PolarHBondContact N-O 3.2Å
200	S	75.3	Confident	75.5	Confident	73 Å²	73	86 Å²	86	51%	0.51	48%	0.475	S	S	.	.	S	Bend	trans	-70.9	-11	178.1	64.2	0	0	0	0	114.9	S197 L198	S197-S200 WeakPolarHBondContact CB-OG 3.12Å; S197-S200 WeakPolarHBondContact O-CB 3.4Å; S197-S200 PolarHBondContact O-N 2.73Å; S197-S200 PolarHBondContact O-OG 3.29Å; L198-S200 PolarHBondContact O-N 3.08Å
201	R	73.5	Confident	76.6	Confident	130 Å²	130	80.6 Å²	80.6	49%	0.491	45%	0.451	S	S	.	.	S	Bend	trans	-138.2	148.9	172.4	-62.6	-170.8	-174.5	177.6	9.2	109.6	G199 E277	G199-R201 PolarHBondContact O-N 2.86Å; R201-E277 IonicContact CZ-OE1 3.35Å; R201-E277 IonicContact NH1-OE1 2.79Å; R201-E277 PolarHBondContact NH1-OE1 2.8Å; R201-E277 IonicContact NH2-OE1 3.03Å; R201-E277 PolarHBondContact NH2-OE1 3.43Å
202	E	76.3	Confident	77.4	Confident	186 Å²	186	83 Å²	83	87%	0.869	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-70.5	140.5	172.6	-61.7	-171.2	-179.2	0	0	110.6
203	I	80.5	Confident	78.5	Confident	84 Å²	84	82 Å²	82	43%	0.431	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-87.6	120.1	-179.6	-59.1	169.7	0	0	0	108.6	K205 I225 L233	I203-K205 PolarHBondContact O-N 3.23Å; I203-I225 HydrophobicContact CD1-CD1 3.89Å; I203-I225 HydrophobicContact CD1-CG1 4.13Å; I203-I225 HydrophobicContact CG1-CD1 4.45Å; I203-I225 HydrophobicContact CG2-CD1 4.38Å; I203-L233 HydrophobicContact CG2-CD1 4.14Å; I203-L233 HydrophobicContact CG2-CD2 3.83Å
204	P	79.5	Confident	79.3	Confident	18 Å²	18	79.9 Å²	79.9	12%	0.117	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-69.4	132.3	-174.2	27	-35	0	0	0	112.3	G206 F280 I283 E284	P204-G206 PolarHBondContact O-N 3.2Å; P204-F280 HydrophobicContact CG-CB 3.85Å; P204-F280 HydrophobicContact CG-CD1 4.05Å; P204-F280 HydrophobicContact CG-CG 4.13Å; P204-I283 HydrophobicContact CB-CG2 4.14Å; P204-I283 HydrophobicContact CG-CB 4.24Å; P204-I283 HydrophobicContact CG-CG2 4.07Å; P204-E284 HydrophobicContact CB-CG 3.7Å; P204-E284 HydrophobicContact CG-CG 4.22Å
205	K	76.6	Confident	80.1	Confident	201 Å²	201	79.1 Å²	79.1	87%	0.874	43%	0.429	S	S	*	.			trans	-83.5	92.1	176.5	-68.5	177.8	-179.4	173.3	0	110.2	I203	I203-K205 PolarHBondContact O-N 3.23Å
206	G	74.2	Confident	81	Confident	24 Å²	24	78 Å²	78	25%	0.247	42%	0.422	C	S	.	.			trans	-65.6	164.7	173.9	0	0	0	0	0	113.8	P204	P204-G206 PolarHBondContact O-N 3.2Å
207	T	80.2	Confident	81.8	Confident	64 Å²	64	69.9 Å²	69.9	39%	0.393	39%	0.391	S	S	.	.			trans	-81.3	150.5	169.6	61.7	0	0	0	0	110	D209 C210	T207-D209 PolarHBondContact O-N 2.71Å; T207-C210 PolarHBondContact O-N 3.42Å; T207-C210 PolarHBondContact O-SG 3.21Å; T207-C210 WeakPolarHBondContact OG1-CB 3.44Å
208	P	78.4	Confident	82.5	Confident	101 Å²	101	68.3 Å²	68.3	66%	0.656	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-5.1	-167.8	25.1	-35.6	0	0	0	115.7	N236 C237 G238	P208-N236 WeakPolarHBondContact CA-O 3.18Å; P208-C237 CarbonylContact O-C 3.53Å; P208-G238 PolarHBondContact O-N 3.13Å
209	D	82.6	Confident	83.2	Confident	87 Å²	87	63.7 Å²	63.7	47%	0.465	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	4.9	178.6	-98.1	-11.9	0	0	0	113.5	T207 L211 K212 C237	T207-D209 PolarHBondContact O-N 2.71Å; D209-L211 VanDerWaalsContact C-N 3.31Å; D209-L211 PolarHBondContact O-N 3.05Å; D209-K212 HydrophobicContact CB-CB 4.41Å; D209-K212 HydrophobicContact CB-CD 4.39Å; D209-K212 WeakPolarHBondContact O-CB 3.26Å; D209-K212 PolarHBondContact O-N 2.72Å; D209-K212 VanDerWaalsContact O-N 3.1Å; D209-K212 WeakPolarHBondContact OD1-CD 3.31Å; D209-K212 WeakPolarHBondContact OD1-CE 3.32Å; D209-K212 IonicContact OD1-NZ 3.04Å; D209-K212 PolarHBondContact OD1-NZ 2.92Å; D209-K212 IonicContact OD2-NZ 2.68Å; D209-K212 PolarHBondContact OD2-NZ 3.45Å; D209-C237 CarbonylContact C-O 3.6Å
210	C	83.7	Confident	84	Confident	25 Å²	25	61.3 Å²	61.3	17%	0.169	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.8	-167.8	78.3	0	0	0	0	115	T207 C237 S286	T207-C210 PolarHBondContact O-N 3.42Å; T207-C210 PolarHBondContact O-SG 3.21Å; T207-C210 WeakPolarHBondContact OG1-CB 3.44Å; C210-C237 PolarHBondContact N-O 3.39Å; C210-S286 WeakPolarHBondContact CB-OG 3.34Å
211	L	86.9	Confident	84.5	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	14.2	174.3	-56.6	-177	0	0	0	112.8	D209 G213 L214 F216 I234 C237 G239 M282 I283	D209-L211 VanDerWaalsContact C-N 3.31Å; D209-L211 PolarHBondContact O-N 3.05Å; L211-G213 PolarHBondContact O-N 2.92Å; L211-L214 HydrophobicContact CD2-CD1 4.28Å; L211-L214 WeakPolarHBondContact O-CB 3.26Å; L211-L214 PolarHBondContact O-N 2.9Å; L211-F216 HydrophobicContact CB-CE2 4.16Å; L211-F216 HydrophobicContact CD1-CE2 3.95Å; L211-F216 HydrophobicContact CD1-CZ 4.14Å; L211-F216 HydrophobicContact CD2-CZ 4.21Å; L211-F216 HydrophobicContact CG-CE2 4.45Å; L211-I234 HydrophobicContact CD1-CG1 4.37Å; L211-I234 HydrophobicContact CD1-CG2 4.46Å; L211-C237 WeakPolarHBondContact CA-O 3.32Å; L211-C237 HydrophobicContact CB-CB 4.12Å; L211-C237 WeakPolarHBondContact CB-O 3.37Å; L211-C237 HydrophobicContact CD1-CB 3.86Å; L211-C237 HydrophobicContact CG-CB 3.8Å; L211-C237 PolarHBondContact N-O 3.39Å; L211-G239 WeakPolarHBondContact O-CA 3.49Å; L211-M282 HydrophobicContact CD2-CE 3.79Å; L211-M282 HydrophobicContact CD2-CG 4.35Å; L211-M282 HydrophobicContact CD2-SD 4.22Å; L211-I283 HydrophobicContact CD1-CG1 4.37Å
212	K	86.9	Confident	85.2	Confident	137 Å²	137	53.9 Å²	53.9	60%	0.596	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	111.9	-172.9	-168.6	-170.2	-157.2	109.3	0	112.4	D209 G238	D209-K212 HydrophobicContact CB-CB 4.41Å; D209-K212 HydrophobicContact CB-CD 4.39Å; D209-K212 WeakPolarHBondContact O-CB 3.26Å; D209-K212 PolarHBondContact O-N 2.72Å; D209-K212 VanDerWaalsContact O-N 3.1Å; D209-K212 WeakPolarHBondContact OD1-CD 3.31Å; D209-K212 WeakPolarHBondContact OD1-CE 3.32Å; D209-K212 IonicContact OD1-NZ 3.04Å; D209-K212 PolarHBondContact OD1-NZ 2.92Å; D209-K212 IonicContact OD2-NZ 2.68Å; D209-K212 PolarHBondContact OD2-NZ 3.45Å; K212-G238 WeakPolarHBondContact CA-O 3.39Å
213	G	87.3	Confident	85.5	Confident	47 Å²	47	48.1 Å²	48.1	49%	0.485	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.8	-12.3	176.9	0	0	0	0	0	115.5	L211 N215	L211-G213 PolarHBondContact O-N 2.92Å; G213-N215 PolarHBondContact O-ND2 2.98Å
214	L	91.1	Very high	85.6	Confident	53 Å²	53	45 Å²	45	28%	0.277	25%	0.254	S	S	.	.			trans	-77.4	145.3	173	-62.1	179.1	0	0	0	111.4	L211 F216 K240 Y251	L211-L214 HydrophobicContact CD2-CD1 4.28Å; L211-L214 WeakPolarHBondContact O-CB 3.26Å; L211-L214 PolarHBondContact O-N 2.9Å; L214-F216 HydrophobicContact CB-CD2 4.41Å; L214-F216 HydrophobicContact CB-CE2 3.51Å; L214-F216 HydrophobicContact CB-CZ 3.83Å; L214-F216 HydrophobicContact CD1-CE2 4.45Å; L214-F216 HydrophobicContact CD1-CZ 4.04Å; L214-K240 PolarHBondContact O-N 3.38Å; L214-Y251 HydrophobicContact CD1-CE2 4.18Å; L214-Y251 HydrophobicContact CD2-CE2 4.19Å
215	N	93.2	Very high	85.9	Confident	32 Å²	32	44.4 Å²	44.4	17%	0.171	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.5	-172.5	-53.2	-91.9	0	0	0	110.4	G213 K240 L242 K248 D250 Y251	G213-N215 PolarHBondContact O-ND2 2.98Å; N215-K240 CarbonylContact C-O 3.58Å; N215-K240 WeakPolarHBondContact CA-O 3.4Å; N215-L242 HydrophobicContact CB-CD1 3.91Å; N215-L242 HydrophobicContact CB-CG 4.4Å; N215-K248 WeakPolarHBondContact CB-O 3.33Å; N215-D250 WeakPolarHBondContact CB-OD2 3.37Å; N215-D250 PolarHBondContact N-OD2 3.38Å; N215-D250 PolarHBondContact ND2-OD2 3.12Å; N215-D250 PolarHBondContact O-N 3.14Å; N215-Y251 PolarHBondContact O-N 2.9Å
216	F	94.3	Very high	86.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	152.6	-171.7	-65	-86.1	0	0	0	112.3	L211 L214 I234 K240 L242 Y251 V253 I274 L279 M282	L211-F216 HydrophobicContact CB-CE2 4.16Å; L211-F216 HydrophobicContact CD1-CE2 3.95Å; L211-F216 HydrophobicContact CD1-CZ 4.14Å; L211-F216 HydrophobicContact CD2-CZ 4.21Å; L211-F216 HydrophobicContact CG-CE2 4.45Å; L214-F216 HydrophobicContact CB-CD2 4.41Å; L214-F216 HydrophobicContact CB-CE2 3.51Å; L214-F216 HydrophobicContact CB-CZ 3.83Å; L214-F216 HydrophobicContact CD1-CE2 4.45Å; L214-F216 HydrophobicContact CD1-CZ 4.04Å; F216-I234 HydrophobicContact CB-CD1 3.93Å; F216-I234 HydrophobicContact CB-CG2 4.28Å; F216-I234 HydrophobicContact CD1-CD1 4.5Å; F216-I234 HydrophobicContact CD2-CD1 4.47Å; F216-I234 HydrophobicContact CD2-CG2 3.48Å; F216-I234 VanDerWaalsContact CD2-CG2 3.48Å; F216-I234 HydrophobicContact CE2-CG2 4.14Å; F216-I234 HydrophobicContact CG-CD1 4.04Å; F216-I234 HydrophobicContact CG-CG2 4.08Å; F216-K240 PolarHBondContact N-O 2.69Å; F216-L242 PolarHBondContact O-N 2.98Å; F216-Y251 WeakPolarHBondContact CA-O 3.46Å; F216-Y251 HydrophobicContact CD1-CG 4.39Å; F216-Y251 AromaticContact CE1-CD2 3.8Å; F216-Y251 HydrophobicContact CE1-CD2 3.8Å; F216-Y251 AromaticContact CE1-CG 3.87Å; F216-Y251 HydrophobicContact CE1-CG 3.87Å; F216-Y251 HydrophobicContact CZ-CD2 4.14Å; F216-V253 HydrophobicContact CD1-CG2 4.39Å; F216-I274 HydrophobicContact CE1-CD1 4.37Å; F216-L279 HydrophobicContact CE1-CD1 4.44Å; F216-M282 HydrophobicContact CE1-CE 3.72Å; F216-M282 HydrophobicContact CZ-CE 3.73Å; F216-M282 HydrophobicContact CZ-SD 4.49Å
217	L	93.6	Very high	87	Confident	1 Å²	1	44 Å²	44	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138.5	164.7	-171.5	144.6	0	0	0	110.1	L242 L245 T249 Y251 L252 V253 K262	L217-L242 WeakPolarHBondContact CD1-O 3.49Å; L217-L245 HydrophobicContact CB-CD2 4.15Å; L217-L245 HydrophobicContact CD1-CB 4.45Å; L217-L245 HydrophobicContact CD1-CD2 3.99Å; L217-L245 HydrophobicContact CD1-CG 3.87Å; L217-L245 VanDerWaalsContact CD1-N 3.35Å; L217-L245 HydrophobicContact CD2-CD2 4.06Å; L217-L245 HydrophobicContact CD2-CG 4.09Å; L217-L245 HydrophobicContact CG-CD2 4.3Å; L217-L245 HydrophobicContact CG-CG 4.5Å; L217-T249 HydrophobicContact CB-CG2 3.94Å; L217-Y251 PolarHBondContact N-O 3.43Å; L217-Y251 VanDerWaalsContact N-O 3.16Å; L217-L252 HydrophobicContact CB-CD1 4.3Å; L217-L252 HydrophobicContact CD2-CD1 3.57Å; L217-L252 VanDerWaalsContact O-CD1 3.28Å; L217-L252 WeakPolarHBondContact O-CD1 3.2Å; L217-V253 PolarHBondContact O-N 2.93Å; L217-K262 HydrophobicContact CD2-CD 4.21Å
218	I	92.8	Very high	87.3	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.1	-177.5	-55.2	167.3	0	0	0	110.1	L222 R227 A230 A231 I234 V253	I218-L222 HydrophobicContact CG2-CD1 4.2Å; I218-L222 HydrophobicContact CG2-CG 4.42Å; I218-R227 PolarHBondContact O-NH1 3.38Å; I218-R227 PolarHBondContact O-NH2 2.82Å; I218-A230 HydrophobicContact CD1-CB 3.78Å; I218-A231 HydrophobicContact CD1-CB 4.33Å; I218-I234 HydrophobicContact CD1-CD1 4.41Å; I218-V253 HydrophobicContact CG1-CB 4.32Å; I218-V253 HydrophobicContact CG1-CG2 4.35Å
219	T	90.7	Very high	87.7	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.8	176.7	-165.1	0	0	0	0	111.7	L252 V253 V254 G255 P258 G259 K262	T219-L252 HydrophobicContact CG2-CD1 3.53Å; T219-L252 HydrophobicContact CG2-CD2 4.14Å; T219-L252 HydrophobicContact CG2-CG 3.93Å; T219-V253 WeakPolarHBondContact CG2-O 3.26Å; T219-V253 PolarHBondContact N-O 2.93Å; T219-V254 HydrophobicContact CG2-CB 4.49Å; T219-V254 HydrophobicContact CG2-CG2 4.03Å; T219-G255 PolarHBondContact O-N 3.05Å; T219-P258 HydrophobicContact CG2-CB 3.9Å; T219-G259 PolarHBondContact OG1-N 2.67Å; T219-K262 WeakPolarHBondContact OG1-CD 3.35Å
220	G	86.1	Confident	88	Confident	15 Å²	15	43 Å²	43	16%	0.155	22%	0.221	C	C	.	.	S	Bend	trans	77.3	-167.3	-169.8	0	0	0	0	0	113.2	R256	G220-R256 CarbonylContact C-O 3.32Å; G220-R256 WeakPolarHBondContact CA-O 3.38Å
221	I	86.6	Confident	88.3	Confident	41 Å²	41	42.6 Å²	42.6	21%	0.21	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-110.1	122.8	176.5	-67.1	152.9	0	0	0	107.7	R192 D193 P195 G255 R256	R192-I221 HydrophobicContact CB-CD1 3.84Å; R192-I221 HydrophobicContact CG-CD1 4.33Å; D193-I221 WeakPolarHBondContact O-CD1 3.42Å; P195-I221 HydrophobicContact CG-CG2 4.27Å; I221-G255 CarbonylContact O-C 3.54Å; I221-G255 VanDerWaalsContact O-CA 3.22Å; I221-G255 WeakPolarHBondContact O-CA 3.27Å; I221-R256 PolarHBondContact N-O 2.82Å; I221-R256 PolarHBondContact O-N 3.44Å
222	L	87.6	Confident	88.4	Confident	7 Å²	7	46 Å²	46	4%	0.037	24%	0.238	C	C	.	.			trans	-74.8	163.4	176.5	-55	175.2	0	0	0	109.6	P195 I218 I225 A230 V253 E276	P195-L222 WeakPolarHBondContact CA-O 3.36Å; P195-L222 VanDerWaalsContact CB-O 3.23Å; P195-L222 WeakPolarHBondContact CB-O 3.39Å; I218-L222 HydrophobicContact CG2-CD1 4.2Å; I218-L222 HydrophobicContact CG2-CG 4.42Å; L222-I225 HydrophobicContact CB-CG2 4.1Å; L222-I225 WeakPolarHBondContact CB-O 3.43Å; L222-I225 HydrophobicContact CD1-CG2 3.55Å; L222-I225 HydrophobicContact CG-CG2 4.46Å; L222-A230 HydrophobicContact CD1-CB 3.66Å; L222-V253 HydrophobicContact CD2-CG1 3.83Å; L222-E276 HydrophobicContact CD2-CB 4.38Å
223	E	83.2	Confident	88.5	Confident	65 Å²	65	40.6 Å²	40.6	30%	0.304	22%	0.215	S	C	.	.	S	Bend	trans	-98.2	-34.6	-171.2	-56.1	-161.5	-172.9	0	0	113.2	S197 L198 R256 E276	S197-E223 CarbonylContact C-O 3.3Å; S197-E223 WeakPolarHBondContact CA-O 3.41Å; S197-E223 PolarHBondContact N-O 3.27Å; S197-E223 VanDerWaalsContact N-O 3.07Å; S197-E223 PolarHBondContact OG-O 3.03Å; L198-E223 PolarHBondContact N-O 3.41Å; E223-R256 HydrophobicContact CG-CG 4.36Å; E223-R256 IonicContact OE1-CZ 3.15Å; E223-R256 IonicContact OE1-NE 3.26Å; E223-R256 PolarHBondContact OE1-NE 2.68Å; E223-R256 IonicContact OE1-NH2 2.61Å; E223-R256 PolarHBondContact OE1-NH2 3.16Å; E223-R256 VanDerWaalsContact OE1-NH2 3.15Å; E223-R256 IonicContact OE2-CZ 2.86Å; E223-R256 IonicContact OE2-NE 2.88Å; E223-R256 IonicContact OE2-NH2 2.68Å; E223-R256 PolarHBondContact OE2-NH2 3.04Å; E223-E276 WeakPolarHBondContact CA-OE2 3.48Å; E223-E276 PolarHBondContact N-OE2 2.9Å
224	C	82.5	Confident	88.6	Confident	17 Å²	17	38.3 Å²	38.3	12%	0.115	19%	0.192	C	C	.	.	S	Bend	trans	-108.3	-27.8	-175.9	-48.2	0	0	0	0	113.6	L198 G199 E276 F280	L198-C224 WeakPolarHBondContact CA-O 3.34Å; G199-C224 PolarHBondContact N-O 3.2Å; C224-E276 VanDerWaalsContact CA-OE1 3.31Å; C224-E276 WeakPolarHBondContact CA-OE1 3.19Å; C224-E276 WeakPolarHBondContact CB-OE1 3.33Å; C224-E276 PolarHBondContact N-OE1 2.73Å; C224-E276 PolarHBondContact N-OE2 3.4Å; C224-F280 HydrophobicContact CB-CE2 4.46Å
225	I	85.8	Confident	88.5	Confident	6 Å²	6	41 Å²	41	3%	0.031	20%	0.203	C	C	.	.	S	Bend	trans	-123.5	154.4	-175.3	-159.7	170	0	0	0	113	I203 L222 D229 A230 L233 E276 F280	I203-I225 HydrophobicContact CD1-CD1 3.89Å; I203-I225 HydrophobicContact CD1-CG1 4.13Å; I203-I225 HydrophobicContact CG1-CD1 4.45Å; I203-I225 HydrophobicContact CG2-CD1 4.38Å; L222-I225 HydrophobicContact CB-CG2 4.1Å; L222-I225 WeakPolarHBondContact CB-O 3.43Å; L222-I225 HydrophobicContact CD1-CG2 3.55Å; L222-I225 HydrophobicContact CG-CG2 4.46Å; I225-D229 HydrophobicContact CD1-CB 3.99Å; I225-D229 HydrophobicContact CG1-CB 3.69Å; I225-A230 HydrophobicContact CD1-CB 4.42Å; I225-A230 HydrophobicContact CG2-CB 3.92Å; I225-L233 HydrophobicContact CD1-CD2 4.22Å; I225-E276 VanDerWaalsContact CG2-OE1 3.3Å; I225-E276 WeakPolarHBondContact CG2-OE1 3.5Å; I225-E276 PolarHBondContact N-OE1 2.92Å; I225-F280 HydrophobicContact CB-CZ 4.45Å; I225-F280 HydrophobicContact CG2-CZ 4.41Å
226	E	86.7	Confident	88.2	Confident	92 Å²	92	45.1 Å²	45.1	43%	0.43	23%	0.225	S	C	.	.			trans	-76	161.6	171.9	-74.2	-116.5	153.9	0	0	113.1	L198 E228 D229 A230	L198-E226 HydrophobicContact CD2-CG 4.21Å; E226-E228 VanDerWaalsContact C-N 3.32Å; E226-E228 PolarHBondContact O-N 2.81Å; E226-D229 HydrophobicContact CB-CB 4.34Å; E226-A230 WeakPolarHBondContact O-CB 3.43Å; E226-A230 PolarHBondContact O-N 3Å
227	R	87	Confident	87.8	Confident	125 Å²	125	45.3 Å²	45.3	47%	0.472	23%	0.226	S	C	.	.	H	α-helix	trans	-63.6	-36.4	-179.1	-177.1	-179.9	-177.2	75.8	17.8	112.8	I218 A231	I218-R227 PolarHBondContact O-NH1 3.38Å; I218-R227 PolarHBondContact O-NH2 2.82Å; R227-A231 PolarHBondContact O-N 3.06Å
228	E	86.7	Confident	87.4	Confident	146 Å²	146	46.5 Å²	46.5	68%	0.682	24%	0.239	S	C	*	.	H	α-helix	trans	-81.6	-41.6	-177.2	-52.9	-152.2	154.9	0	0	110.4	E226 A230 A231 N232	E226-E228 VanDerWaalsContact C-N 3.32Å; E226-E228 PolarHBondContact O-N 2.81Å; E228-A230 PolarHBondContact O-N 3.02Å; E228-A231 CarbonylContact O-C 3.59Å; E228-A231 WeakPolarHBondContact O-CA 3.35Å; E228-A231 WeakPolarHBondContact O-CB 3.41Å; E228-A231 PolarHBondContact O-N 3.19Å; E228-N232 PolarHBondContact O-N 3.05Å; E228-N232 PolarHBondContact O-ND2 3.24Å
229	D	87.6	Confident	87.2	Confident	85 Å²	85	46.5 Å²	46.5	46%	0.455	24%	0.24	S	C	.	.	H	α-helix	trans	-60	-41.7	172.3	-69.8	-28.8	0	0	0	112.9	I225 E226 A231 N232 L233	I225-D229 HydrophobicContact CD1-CB 3.99Å; I225-D229 HydrophobicContact CG1-CB 3.69Å; E226-D229 HydrophobicContact CB-CB 4.34Å; D229-A231 VanDerWaalsContact C-N 3.29Å; D229-A231 PolarHBondContact O-N 3.28Å; D229-N232 PolarHBondContact O-N 3.37Å; D229-L233 WeakPolarHBondContact O-CB 3.46Å; D229-L233 PolarHBondContact O-N 2.82Å
230	A	88.2	Confident	87.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-36.4	171.7	0	0	0	0	0	112.6	I218 L222 I225 E226 E228 I234	I218-A230 HydrophobicContact CD1-CB 3.78Å; L222-A230 HydrophobicContact CD1-CB 3.66Å; I225-A230 HydrophobicContact CD1-CB 4.42Å; I225-A230 HydrophobicContact CG2-CB 3.92Å; E226-A230 WeakPolarHBondContact O-CB 3.43Å; E226-A230 PolarHBondContact O-N 3Å; E228-A230 PolarHBondContact O-N 3.02Å; A230-I234 WeakPolarHBondContact O-CD1 3.37Å; A230-I234 VanDerWaalsContact O-CG1 3.24Å; A230-I234 WeakPolarHBondContact O-CG1 3.08Å; A230-I234 PolarHBondContact O-N 3.13Å
231	A	90.1	Very high	87.4	Confident	16 Å²	16	54.1 Å²	54.1	13%	0.132	27%	0.273	C	S	.	.	H	α-helix	trans	-71.4	-34.1	175.6	0	0	0	0	0	112.1	I218 R227 E228 D229 Q235 V241	I218-A231 HydrophobicContact CD1-CB 4.33Å; R227-A231 PolarHBondContact O-N 3.06Å; E228-A231 CarbonylContact O-C 3.59Å; E228-A231 WeakPolarHBondContact O-CA 3.35Å; E228-A231 WeakPolarHBondContact O-CB 3.41Å; E228-A231 PolarHBondContact O-N 3.19Å; D229-A231 VanDerWaalsContact C-N 3.29Å; D229-A231 PolarHBondContact O-N 3.28Å; A231-Q235 WeakPolarHBondContact O-CG 3.4Å; A231-Q235 PolarHBondContact O-N 3.27Å; A231-Q235 PolarHBondContact O-NE2 3.1Å; A231-V241 HydrophobicContact CB-CG1 4.18Å; A231-V241 HydrophobicContact CB-CG2 4.11Å
232	N	88.8	Confident	87.7	Confident	75 Å²	75	54.8 Å²	54.8	40%	0.401	28%	0.276	S	S	.	.	H	α-helix	trans	-70.6	-45.2	175.6	-65.7	-24.8	0	0	0	111	E228 D229 I234 Q235 N236	E228-N232 PolarHBondContact O-N 3.05Å; E228-N232 PolarHBondContact O-ND2 3.24Å; D229-N232 PolarHBondContact O-N 3.37Å; N232-I234 VanDerWaalsContact C-N 3.34Å; N232-I234 PolarHBondContact O-N 3.12Å; N232-Q235 PolarHBondContact O-N 3.37Å; N232-Q235 VanDerWaalsContact O-N 3.14Å; N232-N236 WeakPolarHBondContact O-CB 3.37Å; N232-N236 PolarHBondContact O-N 3.19Å; N232-N236 PolarHBondContact O-ND2 3.26Å; N232-N236 PolarHBondContact O-OD1 2.89Å
233	L	88	Confident	87.7	Confident	22 Å²	22	64.3 Å²	64.3	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-55.3	-47	174.8	-177.7	64.9	0	0	0	111.6	I203 I225 D229 Q235 N236 C237 F280 I283	I203-L233 HydrophobicContact CG2-CD1 4.14Å; I203-L233 HydrophobicContact CG2-CD2 3.83Å; I225-L233 HydrophobicContact CD1-CD2 4.22Å; D229-L233 WeakPolarHBondContact O-CB 3.46Å; D229-L233 PolarHBondContact O-N 2.82Å; L233-Q235 PolarHBondContact O-N 3.26Å; L233-N236 PolarHBondContact O-N 2.9Å; L233-C237 WeakPolarHBondContact O-CB 3.29Å; L233-C237 PolarHBondContact O-N 3.42Å; L233-C237 VanDerWaalsContact O-N 3.12Å; L233-C237 PolarHBondContact O-SG 3.48Å; L233-F280 HydrophobicContact CD2-CD1 4.46Å; L233-F280 HydrophobicContact CD2-CE1 4.1Å; L233-I283 HydrophobicContact CD2-CD1 3.82Å; L233-I283 HydrophobicContact CG-CD1 4Å
234	I	91	Very high	87.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-41.9	177.2	-70.1	165.4	0	0	0	111.6	L211 F216 I218 A230 N232 C237 G238 G239 V241 L279	L211-I234 HydrophobicContact CD1-CG1 4.37Å; L211-I234 HydrophobicContact CD1-CG2 4.46Å; F216-I234 HydrophobicContact CB-CD1 3.93Å; F216-I234 HydrophobicContact CB-CG2 4.28Å; F216-I234 HydrophobicContact CD1-CD1 4.5Å; F216-I234 HydrophobicContact CD2-CD1 4.47Å; F216-I234 HydrophobicContact CD2-CG2 3.48Å; F216-I234 VanDerWaalsContact CD2-CG2 3.48Å; F216-I234 HydrophobicContact CE2-CG2 4.14Å; F216-I234 HydrophobicContact CG-CD1 4.04Å; F216-I234 HydrophobicContact CG-CG2 4.08Å; I218-I234 HydrophobicContact CD1-CD1 4.41Å; A230-I234 WeakPolarHBondContact O-CD1 3.37Å; A230-I234 VanDerWaalsContact O-CG1 3.24Å; A230-I234 WeakPolarHBondContact O-CG1 3.08Å; A230-I234 PolarHBondContact O-N 3.13Å; N232-I234 VanDerWaalsContact C-N 3.34Å; N232-I234 PolarHBondContact O-N 3.12Å; I234-C237 PolarHBondContact O-N 3.01Å; I234-G238 PolarHBondContact O-N 3.14Å; I234-G239 WeakPolarHBondContact O-CA 3.27Å; I234-G239 PolarHBondContact O-N 3.38Å; I234-V241 HydrophobicContact CB-CG2 3.9Å; I234-V241 HydrophobicContact CD1-CG2 4.43Å; I234-V241 HydrophobicContact CG2-CG2 3.65Å; I234-L279 HydrophobicContact CD1-CD2 4.31Å; I234-L279 HydrophobicContact CG1-CD1 4.41Å
235	Q	88.8	Confident	88.2	Confident	109 Å²	109	66.9 Å²	66.9	51%	0.509	34%	0.336	S	S	.	.	H	α-helix	trans	-70.4	-40.3	179.5	-75.5	171.1	100.5	0	0	112.6	A231 N232 L233 C237 G238 V241	A231-Q235 WeakPolarHBondContact O-CG 3.4Å; A231-Q235 PolarHBondContact O-N 3.27Å; A231-Q235 PolarHBondContact O-NE2 3.1Å; N232-Q235 PolarHBondContact O-N 3.37Å; N232-Q235 VanDerWaalsContact O-N 3.14Å; L233-Q235 PolarHBondContact O-N 3.26Å; Q235-C237 PolarHBondContact O-N 3.28Å; Q235-G238 PolarHBondContact O-N 3.17Å; Q235-V241 HydrophobicContact CG-CG2 4.18Å
236	N	87	Confident	88.3	Confident	118 Å²	118	67.9 Å²	67.9	63%	0.631	35%	0.348	S	S	*	.	H	α-helix	trans	-62.6	-30.4	175.7	-69	-11.7	0	0	0	111.9	P208 N232 L233 G238	P208-N236 WeakPolarHBondContact CA-O 3.18Å; N232-N236 WeakPolarHBondContact O-CB 3.37Å; N232-N236 PolarHBondContact O-N 3.19Å; N232-N236 PolarHBondContact O-ND2 3.26Å; N232-N236 PolarHBondContact O-OD1 2.89Å; L233-N236 PolarHBondContact O-N 2.9Å; N236-G238 VanDerWaalsContact C-N 3.29Å
237	C	85.6	Confident	88.3	Confident	4 Å²	4	73.2 Å²	73.2	3%	0.027	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	8.8	173	-62	0	0	0	0	113.9	P208 D209 C210 L211 L233 I234 Q235 G239	P208-C237 CarbonylContact O-C 3.53Å; D209-C237 CarbonylContact C-O 3.6Å; C210-C237 PolarHBondContact N-O 3.39Å; L211-C237 WeakPolarHBondContact CA-O 3.32Å; L211-C237 HydrophobicContact CB-CB 4.12Å; L211-C237 WeakPolarHBondContact CB-O 3.37Å; L211-C237 HydrophobicContact CD1-CB 3.86Å; L211-C237 HydrophobicContact CG-CB 3.8Å; L211-C237 PolarHBondContact N-O 3.39Å; L233-C237 WeakPolarHBondContact O-CB 3.29Å; L233-C237 PolarHBondContact O-N 3.42Å; L233-C237 VanDerWaalsContact O-N 3.12Å; L233-C237 PolarHBondContact O-SG 3.48Å; I234-C237 PolarHBondContact O-N 3.01Å; Q235-C237 PolarHBondContact O-N 3.28Å; C237-G239 VanDerWaalsContact C-N 3.35Å; C237-G239 PolarHBondContact O-N 2.92Å
238	G	84.5	Confident	88.4	Confident	27 Å²	27	75.4 Å²	75.4	28%	0.278	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	3.6	178.2	0	0	0	0	0	115.9	P208 K212 I234 Q235 N236	P208-G238 PolarHBondContact O-N 3.13Å; K212-G238 WeakPolarHBondContact CA-O 3.39Å; I234-G238 PolarHBondContact O-N 3.14Å; Q235-G238 PolarHBondContact O-N 3.17Å; N236-G238 VanDerWaalsContact C-N 3.29Å
239	G	88.9	Confident	88.7	Confident	4 Å²	4	68.9 Å²	68.9	4%	0.041	35%	0.352	C	S	.	.			trans	-80.8	157.1	176.9	0	0	0	0	0	113.3	L211 I234 C237	L211-G239 WeakPolarHBondContact O-CA 3.49Å; I234-G239 WeakPolarHBondContact O-CA 3.27Å; I234-G239 PolarHBondContact O-N 3.38Å; C237-G239 VanDerWaalsContact C-N 3.35Å; C237-G239 PolarHBondContact O-N 2.92Å
240	K	90.3	Very high	88.9	Confident	128 Å²	128	68 Å²	68	56%	0.557	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.5	-177.7	-69.7	-179.2	179.9	176.5	0	112	L214 N215 F216	L214-K240 PolarHBondContact O-N 3.38Å; N215-K240 CarbonylContact C-O 3.58Å; N215-K240 WeakPolarHBondContact CA-O 3.4Å; F216-K240 PolarHBondContact N-O 2.69Å
241	V	91.6	Very high	89.1	Confident	49 Å²	49	69.6 Å²	69.6	30%	0.297	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.3	176.8	-176.4	0	0	0	0	110.4	A231 I234 Q235	A231-V241 HydrophobicContact CB-CG1 4.18Å; A231-V241 HydrophobicContact CB-CG2 4.11Å; I234-V241 HydrophobicContact CB-CG2 3.9Å; I234-V241 HydrophobicContact CD1-CG2 4.43Å; I234-V241 HydrophobicContact CG2-CG2 3.65Å; Q235-V241 HydrophobicContact CG-CG2 4.18Å
242	L	91.4	Very high	89.3	Confident	55 Å²	55	68.8 Å²	68.8	29%	0.288	35%	0.348	S	S	.	.			trans	-96.4	136.5	179.8	-64.5	176.1	0	0	0	111.5	N215 F216 L217 T244 T249	N215-L242 HydrophobicContact CB-CD1 3.91Å; N215-L242 HydrophobicContact CB-CG 4.4Å; F216-L242 PolarHBondContact O-N 2.98Å; L217-L242 WeakPolarHBondContact CD1-O 3.49Å; L242-T244 VanDerWaalsContact C-N 3.32Å; L242-T249 HydrophobicContact CD1-CG2 4.48Å; L242-T249 WeakPolarHBondContact CD1-OG1 3.46Å
243	K	87.9	Confident	89.5	Confident	208 Å²	208	65.2 Å²	65.2	90%	0.904	33%	0.329	S	S	*	.	S	Bend	trans	-78.4	-14.1	174.7	-63.9	-172	178.2	-175	0	113.4
244	T	87.5	Confident	89.7	Confident	110 Å²	110	65.8 Å²	65.8	68%	0.675	33%	0.333	S	S	*	.	S	Bend	trans	-143.4	138.5	-174.3	-47.8	0	0	0	0	110.7	L242	L242-T244 VanDerWaalsContact C-N 3.32Å
245	L	88.6	Confident	89.7	Confident	26 Å²	26	66.4 Å²	66.4	14%	0.136	34%	0.339	C	S	.	.			trans	-69.6	137.6	174.7	-76.7	173.1	0	0	0	110.7	L217 T249 L252 K262 K265 I271	L217-L245 HydrophobicContact CB-CD2 4.15Å; L217-L245 HydrophobicContact CD1-CB 4.45Å; L217-L245 HydrophobicContact CD1-CD2 3.99Å; L217-L245 HydrophobicContact CD1-CG 3.87Å; L217-L245 VanDerWaalsContact CD1-N 3.35Å; L217-L245 HydrophobicContact CD2-CD2 4.06Å; L217-L245 HydrophobicContact CD2-CG 4.09Å; L217-L245 HydrophobicContact CG-CD2 4.3Å; L217-L245 HydrophobicContact CG-CG 4.5Å; L245-T249 HydrophobicContact CD2-CG2 4.06Å; L245-L252 HydrophobicContact CD2-CD1 4.33Å; L245-K262 HydrophobicContact CD1-CB 3.77Å; L245-K262 HydrophobicContact CD1-CG 4.07Å; L245-K262 WeakPolarHBondContact CD1-O 3.43Å; L245-K265 HydrophobicContact CD1-CB 4.05Å; L245-I271 HydrophobicContact CD2-CD1 4.3Å
246	G	88.1	Confident	89.5	Confident	26 Å²	26	66.6 Å²	66.6	27%	0.268	34%	0.335	S	S	.	.	S	Bend	trans	-165.1	-175.8	172.1	0	0	0	0	0	112.1	K248 T249	G246-K248 PolarHBondContact O-N 3.16Å; G246-T249 PolarHBondContact N-OG1 2.94Å; G246-T249 PolarHBondContact O-N 2.72Å; G246-T249 PolarHBondContact O-OG1 3.11Å
247	K	87.2	Confident	89.3	Confident	204 Å²	204	66 Å²	66	89%	0.887	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	3.9	-178.5	-60.2	-173	178.6	-174.6	0	115.5	L269	K247-L269 HydrophobicContact CG-CD2 4.22Å
248	K	89.4	Confident	89.3	Confident	171 Å²	171	67.7 Å²	67.7	74%	0.743	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	15.1	176.3	-61.8	-171.6	177.9	-174.4	0	112.3	N215 G246	N215-K248 WeakPolarHBondContact CB-O 3.33Å; G246-K248 PolarHBondContact O-N 3.16Å
249	T	91.3	Very high	89.2	Confident	9 Å²	9	68 Å²	68	6%	0.055	34%	0.342	C	S	.	.			trans	-100.6	117.7	174.3	-48.5	0	0	0	0	108.2	L217 L242 L245 G246	L217-T249 HydrophobicContact CB-CG2 3.94Å; L242-T249 HydrophobicContact CD1-CG2 4.48Å; L242-T249 WeakPolarHBondContact CD1-OG1 3.46Å; L245-T249 HydrophobicContact CD2-CG2 4.06Å; G246-T249 PolarHBondContact N-OG1 2.94Å; G246-T249 PolarHBondContact O-N 2.72Å; G246-T249 PolarHBondContact O-OG1 3.11Å
250	D	91.7	Very high	89	Confident	66 Å²	66	70.2 Å²	70.2	35%	0.353	36%	0.361	S	S	.	.			trans	-86.6	-36.6	-174.7	-53	-63	0	0	0	111.3	N215	N215-D250 WeakPolarHBondContact CB-OD2 3.37Å; N215-D250 PolarHBondContact N-OD2 3.38Å; N215-D250 PolarHBondContact ND2-OD2 3.12Å; N215-D250 PolarHBondContact O-N 3.14Å
251	Y	93.8	Very high	88.8	Confident	34 Å²	34	66.8 Å²	66.8	13%	0.133	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.4	-176.7	-67.6	-87.6	0	0	0	111.9	L214 N215 F216 L217 K272 I274 Y278	L214-Y251 HydrophobicContact CD1-CE2 4.18Å; L214-Y251 HydrophobicContact CD2-CE2 4.19Å; N215-Y251 PolarHBondContact O-N 2.9Å; F216-Y251 WeakPolarHBondContact CA-O 3.46Å; F216-Y251 HydrophobicContact CD1-CG 4.39Å; F216-Y251 AromaticContact CE1-CD2 3.8Å; F216-Y251 HydrophobicContact CE1-CD2 3.8Å; F216-Y251 AromaticContact CE1-CG 3.87Å; F216-Y251 HydrophobicContact CE1-CG 3.87Å; F216-Y251 HydrophobicContact CZ-CD2 4.14Å; L217-Y251 PolarHBondContact N-O 3.43Å; L217-Y251 VanDerWaalsContact N-O 3.16Å; Y251-K272 HydrophobicContact CD1-CB 3.96Å; Y251-K272 HydrophobicContact CD1-CD 4.38Å; Y251-K272 HydrophobicContact CE1-CB 4.23Å; Y251-K272 HydrophobicContact CE1-CD 3.82Å; Y251-I274 HydrophobicContact CD1-CD1 3.97Å; Y251-I274 HydrophobicContact CD1-CG1 4.45Å; Y251-I274 HydrophobicContact CD1-CG2 3.74Å; Y251-I274 HydrophobicContact CE1-CG2 4.23Å; Y251-I274 HydrophobicContact CG-CD1 4.26Å; Y251-Y278 HydrophobicContact CE1-CE1 4.44Å
252	L	94.2	Very high	88.6	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	112.5	171.5	176.5	55.7	0	0	0	109.2	L217 T219 L245 V254 A266 I271 K272 Q273 I274	L217-L252 HydrophobicContact CB-CD1 4.3Å; L217-L252 HydrophobicContact CD2-CD1 3.57Å; L217-L252 VanDerWaalsContact O-CD1 3.28Å; L217-L252 WeakPolarHBondContact O-CD1 3.2Å; T219-L252 HydrophobicContact CG2-CD1 3.53Å; T219-L252 HydrophobicContact CG2-CD2 4.14Å; T219-L252 HydrophobicContact CG2-CG 3.93Å; L245-L252 HydrophobicContact CD2-CD1 4.33Å; L252-V254 HydrophobicContact CD2-CG2 4.4Å; L252-V254 HydrophobicContact CG-CG2 3.98Å; L252-A266 HydrophobicContact CD2-CB 3.43Å; L252-A266 VanDerWaalsContact CD2-CB 3.43Å; L252-I271 HydrophobicContact CB-CG2 4.16Å; L252-K272 PolarHBondContact N-O 2.98Å; L252-Q273 HydrophobicContact CB-CG 4.36Å; L252-Q273 HydrophobicContact CD2-CG 4.19Å; L252-Q273 HydrophobicContact CG-CG 4.49Å; L252-Q273 WeakPolarHBondContact O-CA 3.44Å; L252-I274 PolarHBondContact O-N 2.84Å
253	V	93.2	Very high	88.5	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	120	174.3	-166.6	0	0	0	0	108.5	F216 L217 I218 T219 L222 I274 L279	F216-V253 HydrophobicContact CD1-CG2 4.39Å; L217-V253 PolarHBondContact O-N 2.93Å; I218-V253 HydrophobicContact CG1-CB 4.32Å; I218-V253 HydrophobicContact CG1-CG2 4.35Å; T219-V253 WeakPolarHBondContact CG2-O 3.26Å; T219-V253 PolarHBondContact N-O 2.93Å; L222-V253 HydrophobicContact CD2-CG1 3.83Å; V253-I274 WeakPolarHBondContact CA-O 3.14Å; V253-I274 HydrophobicContact CG2-CD1 4.18Å; V253-I274 HydrophobicContact CG2-CG1 4.23Å; V253-L279 HydrophobicContact CG1-CD2 4.29Å; V253-L279 HydrophobicContact CG2-CD2 4.25Å
254	V	92.6	Very high	88.5	Confident	34 Å²	34	62.7 Å²	62.7	21%	0.206	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	112.4	-174.7	-178.1	0	0	0	0	109.8	T219 L252 P258 Q273 I274	T219-V254 HydrophobicContact CG2-CB 4.49Å; T219-V254 HydrophobicContact CG2-CG2 4.03Å; L252-V254 HydrophobicContact CD2-CG2 4.4Å; L252-V254 HydrophobicContact CG-CG2 3.98Å; V254-P258 HydrophobicContact CG1-CB 3.99Å; V254-P258 HydrophobicContact CG1-CG 3.88Å; V254-Q273 HydrophobicContact CG2-CB 4.02Å; V254-Q273 HydrophobicContact CG2-CG 4.06Å; V254-I274 PolarHBondContact N-O 3.2Å
255	G	89.4	Confident	88.6	Confident	12 Å²	12	63.3 Å²	63.3	12%	0.124	33%	0.329	C	S	.	.			trans	-99.5	-169.7	165.7	0	0	0	0	0	112.6	T219 I221 P258	T219-G255 PolarHBondContact O-N 3.05Å; I221-G255 CarbonylContact O-C 3.54Å; I221-G255 VanDerWaalsContact O-CA 3.22Å; I221-G255 WeakPolarHBondContact O-CA 3.27Å; G255-P258 WeakPolarHBondContact O-CD 3.44Å
256	R	84.9	Confident	88.6	Confident	114 Å²	114	62.1 Å²	62.1	43%	0.43	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-60.1	148.6	176	-62.2	-168.5	-176.5	-162.6	6.3	112.2	G220 I221 E223	G220-R256 CarbonylContact C-O 3.32Å; G220-R256 WeakPolarHBondContact CA-O 3.38Å; I221-R256 PolarHBondContact N-O 2.82Å; I221-R256 PolarHBondContact O-N 3.44Å; E223-R256 HydrophobicContact CG-CG 4.36Å; E223-R256 IonicContact OE1-CZ 3.15Å; E223-R256 IonicContact OE1-NE 3.26Å; E223-R256 PolarHBondContact OE1-NE 2.68Å; E223-R256 IonicContact OE1-NH2 2.61Å; E223-R256 PolarHBondContact OE1-NH2 3.16Å; E223-R256 VanDerWaalsContact OE1-NH2 3.15Å; E223-R256 IonicContact OE2-CZ 2.86Å; E223-R256 IonicContact OE2-NE 2.88Å; E223-R256 IonicContact OE2-NH2 2.68Å; E223-R256 PolarHBondContact OE2-NH2 3.04Å
257	E	82.7	Confident	88.7	Confident	105 Å²	105	65.2 Å²	65.2	49%	0.491	33%	0.333	S	S	.	.	S	Bend	trans	41.3	57.9	-173.7	-53.1	-168.8	-157.6	0	0	116.1	R192	R192-E257 VanDerWaalsContact CZ-CB 3.48Å; R192-E257 IonicContact CZ-OE2 3.97Å; R192-E257 IonicContact NE-OE2 2.86Å; R192-E257 PolarHBondContact NE-OE2 3.38Å; R192-E257 PolarHBondContact NH1-O 3.47Å; R192-E257 PolarHBondContact NH2-O 3.32Å; R192-E257 IonicContact NH2-OE2 2.72Å; R192-E257 PolarHBondContact NH2-OE2 3.3Å
258	P	85.4	Confident	88.9	Confident	39 Å²	39	62 Å²	62	25%	0.253	33%	0.326	S	S	.	.			trans	-63.6	142.5	176.6	27	-30.2	0	0	0	111.3	T219 V254 G255 A260 I263	T219-P258 HydrophobicContact CG2-CB 3.9Å; V254-P258 HydrophobicContact CG1-CB 3.99Å; V254-P258 HydrophobicContact CG1-CG 3.88Å; G255-P258 WeakPolarHBondContact O-CD 3.44Å; P258-A260 PolarHBondContact O-N 3.31Å; P258-I263 HydrophobicContact CB-CD1 3.93Å; P258-I263 HydrophobicContact CB-CG1 4.06Å; P258-I263 HydrophobicContact CG-CD1 3.68Å; P258-I263 HydrophobicContact CG-CG1 4.28Å
259	G	83	Confident	88.8	Confident	33 Å²	33	57.3 Å²	57.3	34%	0.34	31%	0.308	S	S	.	.			trans	-70.2	119.8	-178.1	0	0	0	0	0	112	T219 A261 K262 I263	T219-G259 PolarHBondContact OG1-N 2.67Å; G259-A261 PolarHBondContact O-N 3.36Å; G259-K262 WeakPolarHBondContact O-CA 3.42Å; G259-K262 WeakPolarHBondContact O-CB 3.44Å; G259-K262 PolarHBondContact O-N 3.02Å; G259-I263 PolarHBondContact O-N 3.39Å
260	A	84.2	Confident	88.6	Confident	52 Å²	52	66 Å²	66	43%	0.43	35%	0.345	S	S	.	.	H	α-helix	trans	-45.6	-53.1	-173.2	0	0	0	0	0	114.1	P258 K262 I263 E264	P258-A260 PolarHBondContact O-N 3.31Å; A260-K262 PolarHBondContact O-N 3.38Å; A260-I263 WeakPolarHBondContact O-CA 3.42Å; A260-I263 WeakPolarHBondContact O-CB 3.39Å; A260-I263 PolarHBondContact O-N 3.32Å; A260-E264 WeakPolarHBondContact O-CG 3.32Å; A260-E264 PolarHBondContact O-N 3.37Å
261	A	86	Confident	88.5	Confident	56 Å²	56	63.9 Å²	63.9	46%	0.463	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-9.8	179	0	0	0	0	0	115.4	G259 K265	G259-A261 PolarHBondContact O-N 3.36Å; A261-K265 VanDerWaalsContact O-CD 3.24Å; A261-K265 WeakPolarHBondContact O-CD 3.37Å; A261-K265 VanDerWaalsContact O-CG 3.22Å; A261-K265 WeakPolarHBondContact O-CG 3.49Å
262	K	88.1	Confident	88.4	Confident	73 Å²	73	68.4 Å²	68.4	32%	0.317	35%	0.354	S	S	.	.	H	α-helix	trans	-89.3	-38.7	167.2	-71.4	179.1	174	178.3	0	111.8	L217 T219 L245 G259 A260 K265 A266	L217-K262 HydrophobicContact CD2-CD 4.21Å; T219-K262 WeakPolarHBondContact OG1-CD 3.35Å; L245-K262 HydrophobicContact CD1-CB 3.77Å; L245-K262 HydrophobicContact CD1-CG 4.07Å; L245-K262 WeakPolarHBondContact CD1-O 3.43Å; G259-K262 WeakPolarHBondContact O-CA 3.42Å; G259-K262 WeakPolarHBondContact O-CB 3.44Å; G259-K262 PolarHBondContact O-N 3.02Å; A260-K262 PolarHBondContact O-N 3.38Å; K262-K265 PolarHBondContact O-N 3.09Å; K262-A266 WeakPolarHBondContact O-CB 3.49Å; K262-A266 PolarHBondContact O-N 2.97Å
263	I	88.8	Confident	88.3	Confident	46 Å²	46	72.3 Å²	72.3	24%	0.236	37%	0.372	C	S	.	.	H	α-helix	trans	-64.7	-48.7	176.4	-47.6	168.5	0	0	0	109.7	P258 G259 A260 K265 A266 N267	P258-I263 HydrophobicContact CB-CD1 3.93Å; P258-I263 HydrophobicContact CB-CG1 4.06Å; P258-I263 HydrophobicContact CG-CD1 3.68Å; P258-I263 HydrophobicContact CG-CG1 4.28Å; G259-I263 PolarHBondContact O-N 3.39Å; A260-I263 WeakPolarHBondContact O-CA 3.42Å; A260-I263 WeakPolarHBondContact O-CB 3.39Å; A260-I263 PolarHBondContact O-N 3.32Å; I263-K265 VanDerWaalsContact C-N 3.31Å; I263-K265 PolarHBondContact O-N 3.28Å; I263-A266 WeakPolarHBondContact O-CB 3.46Å; I263-A266 PolarHBondContact O-N 2.94Å; I263-N267 VanDerWaalsContact O-CG 3.3Å; I263-N267 PolarHBondContact O-N 3.35Å
264	E	88.7	Confident	88.2	Confident	107 Å²	107	72.9 Å²	72.9	50%	0.5	38%	0.375	S	S	.	.	H	α-helix	trans	-55	-46.5	175.3	-68.9	163.5	-173.2	0	0	111.5	A260 A266 N267 N268	A260-E264 WeakPolarHBondContact O-CG 3.32Å; A260-E264 PolarHBondContact O-N 3.37Å; E264-A266 VanDerWaalsContact C-N 3.34Å; E264-A266 PolarHBondContact O-N 3.29Å; E264-N267 PolarHBondContact O-N 2.88Å; E264-N268 VanDerWaalsContact O-CB 3.3Å; E264-N268 WeakPolarHBondContact O-CB 3.07Å; E264-N268 PolarHBondContact O-N 3.1Å; E264-N268 PolarHBondContact O-ND2 3.23Å
265	K	88.5	Confident	88.1	Confident	123 Å²	123	74.7 Å²	74.7	54%	0.535	39%	0.386	S	S	.	.	H	α-helix	trans	-66.8	-33.8	177.1	-72.7	177.7	-171.9	175.9	0	112.5	L245 A261 K262 I263 L269	L245-K265 HydrophobicContact CD1-CB 4.05Å; A261-K265 VanDerWaalsContact O-CD 3.24Å; A261-K265 WeakPolarHBondContact O-CD 3.37Å; A261-K265 VanDerWaalsContact O-CG 3.22Å; A261-K265 WeakPolarHBondContact O-CG 3.49Å; K262-K265 PolarHBondContact O-N 3.09Å; I263-K265 VanDerWaalsContact C-N 3.31Å; I263-K265 PolarHBondContact O-N 3.28Å; K265-L269 VanDerWaalsContact O-CB 3.26Å; K265-L269 WeakPolarHBondContact O-CB 3.32Å; K265-L269 WeakPolarHBondContact O-CD1 3.33Å; K265-L269 WeakPolarHBondContact O-CG 3.38Å; K265-L269 PolarHBondContact O-N 2.89Å
266	A	90.5	Very high	88.1	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.008	38%	0.383	C	S	.	.	H	α-helix	trans	-70.2	-42.6	174.9	0	0	0	0	0	112.3	L252 K262 I263 E264 L269 K270 I271	L252-A266 HydrophobicContact CD2-CB 3.43Å; L252-A266 VanDerWaalsContact CD2-CB 3.43Å; K262-A266 WeakPolarHBondContact O-CB 3.49Å; K262-A266 PolarHBondContact O-N 2.97Å; I263-A266 WeakPolarHBondContact O-CB 3.46Å; I263-A266 PolarHBondContact O-N 2.94Å; E264-A266 VanDerWaalsContact C-N 3.34Å; E264-A266 PolarHBondContact O-N 3.29Å; A266-L269 CarbonylContact O-C 3.58Å; A266-L269 PolarHBondContact O-N 2.94Å; A266-K270 WeakPolarHBondContact O-CA 3.48Å; A266-K270 PolarHBondContact O-N 3.33Å; A266-I271 HydrophobicContact CB-CB 4.39Å; A266-I271 PolarHBondContact O-N 3.49Å
267	N	89.5	Confident	88.2	Confident	91 Å²	91	74.2 Å²	74.2	49%	0.487	39%	0.385	S	S	.	.	H	α-helix	trans	-61.2	-48.3	174.2	-68.2	-9.3	0	0	0	110.7	I263 E264 L269 K270 Q273	I263-N267 VanDerWaalsContact O-CG 3.3Å; I263-N267 PolarHBondContact O-N 3.35Å; E264-N267 PolarHBondContact O-N 2.88Å; N267-L269 VanDerWaalsContact C-N 3.27Å; N267-L269 PolarHBondContact O-N 2.97Å; N267-K270 PolarHBondContact O-N 2.74Å; N267-K270 VanDerWaalsContact O-N 3.1Å; N267-Q273 PolarHBondContact OD1-NE2 3.34Å
268	N	90.3	Very high	88.5	Confident	137 Å²	137	73.9 Å²	73.9	73%	0.733	38%	0.381	S	S	*	.	H	α-helix	trans	-63.5	-30.1	177.9	-69.3	-13.8	0	0	0	113.1	E264	E264-N268 VanDerWaalsContact O-CB 3.3Å; E264-N268 WeakPolarHBondContact O-CB 3.07Å; E264-N268 PolarHBondContact O-N 3.1Å; E264-N268 PolarHBondContact O-ND2 3.23Å
269	L	88.8	Confident	88.8	Confident	71 Å²	71	72.1 Å²	72.1	37%	0.372	37%	0.369	S	S	.	.	H	α-helix	trans	-93.4	-2.5	176	-67.2	173	0	0	0	113.7	K247 K265 A266 N267 I271	K247-L269 HydrophobicContact CG-CD2 4.22Å; K265-L269 VanDerWaalsContact O-CB 3.26Å; K265-L269 WeakPolarHBondContact O-CB 3.32Å; K265-L269 WeakPolarHBondContact O-CD1 3.33Å; K265-L269 WeakPolarHBondContact O-CG 3.38Å; K265-L269 PolarHBondContact O-N 2.89Å; A266-L269 CarbonylContact O-C 3.58Å; A266-L269 PolarHBondContact O-N 2.94Å; N267-L269 VanDerWaalsContact C-N 3.27Å; N267-L269 PolarHBondContact O-N 2.97Å; L269-I271 HydrophobicContact CB-CD1 3.7Å; L269-I271 HydrophobicContact CB-CG1 3.79Å; L269-I271 HydrophobicContact CD1-CD1 3.81Å; L269-I271 HydrophobicContact CG-CD1 4.42Å; L269-I271 PolarHBondContact O-N 3.24Å
270	K	86.9	Confident	89.1	Confident	193 Å²	193	71 Å²	71	84%	0.839	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	36.6	-174.5	-56.2	-175.4	179.8	-176.3	0	114.1	A266 N267	A266-K270 WeakPolarHBondContact O-CA 3.48Å; A266-K270 PolarHBondContact O-N 3.33Å; N267-K270 PolarHBondContact O-N 2.74Å; N267-K270 VanDerWaalsContact O-N 3.1Å
271	I	89.7	Confident	89.2	Confident	20 Å²	20	72 Å²	72	10%	0.103	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-75.2	140.3	179	-64.9	166.9	0	0	0	109.8	L245 L252 A266 L269 Q273	L245-I271 HydrophobicContact CD2-CD1 4.3Å; L252-I271 HydrophobicContact CB-CG2 4.16Å; A266-I271 HydrophobicContact CB-CB 4.39Å; A266-I271 PolarHBondContact O-N 3.49Å; L269-I271 HydrophobicContact CB-CD1 3.7Å; L269-I271 HydrophobicContact CB-CG1 3.79Å; L269-I271 HydrophobicContact CD1-CD1 3.81Å; L269-I271 HydrophobicContact CG-CD1 4.42Å; L269-I271 PolarHBondContact O-N 3.24Å; I271-Q273 PolarHBondContact O-N 3.08Å
272	K	90.4	Very high	89.3	Confident	130 Å²	130	70.6 Å²	70.6	57%	0.565	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	119.9	176.5	-69	-177.3	179.6	179.8	0	110.4	Y251 L252	Y251-K272 HydrophobicContact CD1-CB 3.96Å; Y251-K272 HydrophobicContact CD1-CD 4.38Å; Y251-K272 HydrophobicContact CE1-CB 4.23Å; Y251-K272 HydrophobicContact CE1-CD 3.82Å; L252-K272 PolarHBondContact N-O 2.98Å
273	Q	92.5	Very high	89.3	Confident	82 Å²	82	67.1 Å²	67.1	38%	0.383	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	129.1	171.1	-72.2	171.6	81.7	0	0	108.5	L252 V254 N267 I271	L252-Q273 HydrophobicContact CB-CG 4.36Å; L252-Q273 HydrophobicContact CD2-CG 4.19Å; L252-Q273 HydrophobicContact CG-CG 4.49Å; L252-Q273 WeakPolarHBondContact O-CA 3.44Å; V254-Q273 HydrophobicContact CG2-CB 4.02Å; V254-Q273 HydrophobicContact CG2-CG 4.06Å; N267-Q273 PolarHBondContact OD1-NE2 3.34Å; I271-Q273 PolarHBondContact O-N 3.08Å
274	I	91.9	Very high	89.1	Confident	12 Å²	12	69 Å²	69	6%	0.062	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.1	-177.5	60.4	170.4	0	0	0	110.5	F216 Y251 L252 V253 V254 Y278 L279	F216-I274 HydrophobicContact CE1-CD1 4.37Å; Y251-I274 HydrophobicContact CD1-CD1 3.97Å; Y251-I274 HydrophobicContact CD1-CG1 4.45Å; Y251-I274 HydrophobicContact CD1-CG2 3.74Å; Y251-I274 HydrophobicContact CE1-CG2 4.23Å; Y251-I274 HydrophobicContact CG-CD1 4.26Å; L252-I274 PolarHBondContact O-N 2.84Å; V253-I274 WeakPolarHBondContact CA-O 3.14Å; V253-I274 HydrophobicContact CG2-CD1 4.18Å; V253-I274 HydrophobicContact CG2-CG1 4.23Å; V254-I274 PolarHBondContact N-O 3.2Å; I274-Y278 HydrophobicContact CB-CD1 3.72Å; I274-Y278 HydrophobicContact CB-CG 4.31Å; I274-Y278 HydrophobicContact CD1-CD1 4.29Å; I274-Y278 HydrophobicContact CG2-CD1 3.39Å; I274-Y278 HydrophobicContact CG2-CE1 3.71Å; I274-Y278 HydrophobicContact CG2-CG 4.22Å; I274-L279 HydrophobicContact CD1-CB 4.46Å
275	T	90.9	Very high	88.8	Confident	71 Å²	71	70.6 Å²	70.6	44%	0.436	33%	0.332	S	S	.	.			trans	-77.5	166.5	171	54.5	0	0	0	0	110.7	E277 Y278 L279	T275-E277 VanDerWaalsContact C-N 3.26Å; T275-E277 PolarHBondContact O-N 2.87Å; T275-Y278 PolarHBondContact O-N 3.29Å; T275-Y278 PolarHBondContact OG1-N 3.49Å; T275-L279 PolarHBondContact O-N 3.3Å; T275-L279 VanDerWaalsContact O-N 3.13Å
276	E	88.8	Confident	88.3	Confident	14 Å²	14	66.9 Å²	66.9	7%	0.065	32%	0.322	C	S	.	.	H	α-helix	trans	-56.1	-41.1	170.3	-176.3	176	-167.1	0	0	112	L222 E223 C224 I225 Y278 L279 F280	L222-E276 HydrophobicContact CD2-CB 4.38Å; E223-E276 WeakPolarHBondContact CA-OE2 3.48Å; E223-E276 PolarHBondContact N-OE2 2.9Å; C224-E276 VanDerWaalsContact CA-OE1 3.31Å; C224-E276 WeakPolarHBondContact CA-OE1 3.19Å; C224-E276 WeakPolarHBondContact CB-OE1 3.33Å; C224-E276 PolarHBondContact N-OE1 2.73Å; C224-E276 PolarHBondContact N-OE2 3.4Å; I225-E276 VanDerWaalsContact CG2-OE1 3.3Å; I225-E276 WeakPolarHBondContact CG2-OE1 3.5Å; I225-E276 PolarHBondContact N-OE1 2.92Å; E276-Y278 VanDerWaalsContact C-N 3.33Å; E276-Y278 PolarHBondContact O-N 3.42Å; E276-L279 WeakPolarHBondContact O-CB 3.45Å; E276-L279 PolarHBondContact O-N 3.01Å; E276-L279 VanDerWaalsContact O-N 3.11Å; E276-F280 HydrophobicContact CG-CD2 4.43Å; E276-F280 HydrophobicContact CG-CE1 4.46Å; E276-F280 HydrophobicContact CG-CE2 3.74Å; E276-F280 HydrophobicContact CG-CZ 3.75Å; E276-F280 PolarHBondContact O-N 3.46Å; E276-F280 VanDerWaalsContact O-N 3.08Å
277	E	86.6	Confident	87.2	Confident	102 Å²	102	68 Å²	68	48%	0.477	33%	0.33	S	S	.	.	H	α-helix	trans	-59.2	-43.1	177.4	-48.4	-173.3	106.5	0	0	112.1	R201 T275 L279 F280 E281	R201-E277 IonicContact CZ-OE1 3.35Å; R201-E277 IonicContact NH1-OE1 2.79Å; R201-E277 PolarHBondContact NH1-OE1 2.8Å; R201-E277 IonicContact NH2-OE1 3.03Å; R201-E277 PolarHBondContact NH2-OE1 3.43Å; T275-E277 VanDerWaalsContact C-N 3.26Å; T275-E277 PolarHBondContact O-N 2.87Å; E277-L279 VanDerWaalsContact C-N 3.32Å; E277-L279 PolarHBondContact O-N 2.85Å; E277-F280 PolarHBondContact O-N 3.02Å; E277-E281 WeakPolarHBondContact O-CB 3.45Å; E277-E281 PolarHBondContact O-N 2.99Å
278	Y	90.1	Very high	85.6	Confident	99 Å²	99	71.1 Å²	71.1	39%	0.388	35%	0.346	S	S	.	.	H	α-helix	trans	-71.5	-27.1	177.9	-170.6	-88.8	0	0	0	112.5	Y251 I274 T275 E276 M282	Y251-Y278 HydrophobicContact CE1-CE1 4.44Å; I274-Y278 HydrophobicContact CB-CD1 3.72Å; I274-Y278 HydrophobicContact CB-CG 4.31Å; I274-Y278 HydrophobicContact CD1-CD1 4.29Å; I274-Y278 HydrophobicContact CG2-CD1 3.39Å; I274-Y278 HydrophobicContact CG2-CE1 3.71Å; I274-Y278 HydrophobicContact CG2-CG 4.22Å; T275-Y278 PolarHBondContact O-N 3.29Å; T275-Y278 PolarHBondContact OG1-N 3.49Å; E276-Y278 VanDerWaalsContact C-N 3.33Å; E276-Y278 PolarHBondContact O-N 3.42Å; Y278-M282 WeakPolarHBondContact O-CB 3.5Å; Y278-M282 PolarHBondContact O-N 3.1Å
279	L	89.8	Confident	83.7	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-66.1	-43.7	171.3	176.9	61.5	0	0	0	110.8	F216 I234 V253 I274 T275 E276 E277 M282 I283	F216-L279 HydrophobicContact CE1-CD1 4.44Å; I234-L279 HydrophobicContact CD1-CD2 4.31Å; I234-L279 HydrophobicContact CG1-CD1 4.41Å; V253-L279 HydrophobicContact CG1-CD2 4.29Å; V253-L279 HydrophobicContact CG2-CD2 4.25Å; I274-L279 HydrophobicContact CD1-CB 4.46Å; T275-L279 PolarHBondContact O-N 3.3Å; T275-L279 VanDerWaalsContact O-N 3.13Å; E276-L279 WeakPolarHBondContact O-CB 3.45Å; E276-L279 PolarHBondContact O-N 3.01Å; E276-L279 VanDerWaalsContact O-N 3.11Å; E277-L279 VanDerWaalsContact C-N 3.32Å; E277-L279 PolarHBondContact O-N 2.85Å; L279-M282 HydrophobicContact CD1-CE 3.62Å; L279-I283 HydrophobicContact CD1-CD1 4.34Å; L279-I283 HydrophobicContact CG-CD1 4.36Å; L279-I283 VanDerWaalsContact O-CG1 3.31Å; L279-I283 WeakPolarHBondContact O-CG1 3.32Å; L279-I283 PolarHBondContact O-N 3.25Å; L279-I283 VanDerWaalsContact O-N 3.17Å
280	F	90.1	Very high	81.3	Confident	11 Å²	11	71.9 Å²	71.9	5%	0.048	36%	0.361	C	S	.	.	H	α-helix	trans	-66.7	-47.6	174.9	-61.8	-22.9	0	0	0	111.8	P204 C224 I225 L233 E276 E277 M282 I283 E284	P204-F280 HydrophobicContact CG-CB 3.85Å; P204-F280 HydrophobicContact CG-CD1 4.05Å; P204-F280 HydrophobicContact CG-CG 4.13Å; C224-F280 HydrophobicContact CB-CE2 4.46Å; I225-F280 HydrophobicContact CB-CZ 4.45Å; I225-F280 HydrophobicContact CG2-CZ 4.41Å; L233-F280 HydrophobicContact CD2-CD1 4.46Å; L233-F280 HydrophobicContact CD2-CE1 4.1Å; E276-F280 HydrophobicContact CG-CD2 4.43Å; E276-F280 HydrophobicContact CG-CE1 4.46Å; E276-F280 HydrophobicContact CG-CE2 3.74Å; E276-F280 HydrophobicContact CG-CZ 3.75Å; E276-F280 PolarHBondContact O-N 3.46Å; E276-F280 VanDerWaalsContact O-N 3.08Å; E277-F280 PolarHBondContact O-N 3.02Å; F280-M282 VanDerWaalsContact C-N 3.25Å; F280-M282 PolarHBondContact O-N 2.9Å; F280-I283 WeakPolarHBondContact O-CA 3.36Å; F280-I283 WeakPolarHBondContact O-CB 3.48Å; F280-I283 PolarHBondContact O-N 2.98Å; F280-E284 WeakPolarHBondContact O-CG 3.11Å; F280-E284 PolarHBondContact O-N 3.31Å
281	E	86.8	Confident	79.1	Confident	73 Å²	73	69.3 Å²	69.3	34%	0.341	36%	0.356	S	S	.	.	H	α-helix	trans	-58.6	-35.9	177.6	-161.3	-152.4	-151.6	0	0	112.3	E277 K285	E277-E281 WeakPolarHBondContact O-CB 3.45Å; E277-E281 PolarHBondContact O-N 2.99Å; E281-K285 HydrophobicContact CG-CD 4.14Å; E281-K285 VanDerWaalsContact O-CB 3.28Å; E281-K285 WeakPolarHBondContact O-CB 3.37Å; E281-K285 VanDerWaalsContact O-CG 3.24Å; E281-K285 WeakPolarHBondContact O-CG 3.41Å; E281-K285 PolarHBondContact O-N 3.43Å; E281-K285 VanDerWaalsContact OE1-CE 3.3Å; E281-K285 WeakPolarHBondContact OE1-CE 3.32Å; E281-K285 IonicContact OE1-NZ 2.78Å; E281-K285 PolarHBondContact OE1-NZ 3.02Å; E281-K285 IonicContact OE2-NZ 2.71Å; E281-K285 PolarHBondContact OE2-NZ 3.17Å
282	M	87.2	Confident	76.6	Confident	25 Å²	25	75 Å²	75	12%	0.123	39%	0.391	C	S	.	.	H	α-helix	trans	-69.7	-36	174.5	179.7	-178.1	57.4	0	0	112.6	L211 F216 Y278 L279 F280 S286	L211-M282 HydrophobicContact CD2-CE 3.79Å; L211-M282 HydrophobicContact CD2-CG 4.35Å; L211-M282 HydrophobicContact CD2-SD 4.22Å; F216-M282 HydrophobicContact CE1-CE 3.72Å; F216-M282 HydrophobicContact CZ-CE 3.73Å; F216-M282 HydrophobicContact CZ-SD 4.49Å; Y278-M282 WeakPolarHBondContact O-CB 3.5Å; Y278-M282 PolarHBondContact O-N 3.1Å; L279-M282 HydrophobicContact CD1-CE 3.62Å; F280-M282 VanDerWaalsContact C-N 3.25Å; F280-M282 PolarHBondContact O-N 2.9Å; M282-S286 WeakPolarHBondContact O-CB 3.36Å; M282-S286 PolarHBondContact O-N 3.44Å; M282-S286 VanDerWaalsContact O-N 3.17Å; M282-S286 PolarHBondContact O-OG 3.46Å
283	I	88.1	Confident	74.1	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-68	-42.4	174.5	-69.6	165.8	0	0	0	110.2	P204 L211 L233 L279 F280 S286 S287	P204-I283 HydrophobicContact CB-CG2 4.14Å; P204-I283 HydrophobicContact CG-CB 4.24Å; P204-I283 HydrophobicContact CG-CG2 4.07Å; L211-I283 HydrophobicContact CD1-CG1 4.37Å; L233-I283 HydrophobicContact CD2-CD1 3.82Å; L233-I283 HydrophobicContact CG-CD1 4Å; L279-I283 HydrophobicContact CD1-CD1 4.34Å; L279-I283 HydrophobicContact CG-CD1 4.36Å; L279-I283 VanDerWaalsContact O-CG1 3.31Å; L279-I283 WeakPolarHBondContact O-CG1 3.32Å; L279-I283 PolarHBondContact O-N 3.25Å; L279-I283 VanDerWaalsContact O-N 3.17Å; F280-I283 WeakPolarHBondContact O-CA 3.36Å; F280-I283 WeakPolarHBondContact O-CB 3.48Å; F280-I283 PolarHBondContact O-N 2.98Å; I283-S286 PolarHBondContact O-N 2.7Å; I283-S286 PolarHBondContact O-OG 3.19Å; I283-S286 VanDerWaalsContact O-OG 3.11Å; I283-S287 WeakPolarHBondContact O-CB 3.43Å; I283-S287 PolarHBondContact O-N 2.87Å
284	E	85.2	Confident	71.4	Confident	87 Å²	87	80.8 Å²	80.8	41%	0.407	42%	0.419	S	S	.	.	H	α-helix	trans	-65.2	-49.3	176.3	-69.2	168.7	-172.3	0	0	112.3	P204 F280 S286 S287 N288	P204-E284 HydrophobicContact CB-CG 3.7Å; P204-E284 HydrophobicContact CG-CG 4.22Å; F280-E284 WeakPolarHBondContact O-CG 3.11Å; F280-E284 PolarHBondContact O-N 3.31Å; E284-S286 PolarHBondContact O-N 2.79Å; E284-S287 PolarHBondContact O-N 2.86Å; E284-S287 PolarHBondContact O-OG 3.09Å; E284-N288 PolarHBondContact O-N 2.99Å
285	K	82.6	Confident	68.7	Low	139 Å²	139	89.3 Å²	89.3	60%	0.604	46%	0.456	S	S	*	.	H	α-helix	trans	-61.2	-26.3	177.2	-75.8	172.3	178.9	172.5	0	113.2	E281	E281-K285 HydrophobicContact CG-CD 4.14Å; E281-K285 VanDerWaalsContact O-CB 3.28Å; E281-K285 WeakPolarHBondContact O-CB 3.37Å; E281-K285 VanDerWaalsContact O-CG 3.24Å; E281-K285 WeakPolarHBondContact O-CG 3.41Å; E281-K285 PolarHBondContact O-N 3.43Å; E281-K285 VanDerWaalsContact OE1-CE 3.3Å; E281-K285 WeakPolarHBondContact OE1-CE 3.32Å; E281-K285 IonicContact OE1-NZ 2.78Å; E281-K285 PolarHBondContact OE1-NZ 3.02Å; E281-K285 IonicContact OE2-NZ 2.71Å; E281-K285 PolarHBondContact OE2-NZ 3.17Å
286	S	77.6	Confident	66.1	Low	46 Å²	46	91.3 Å²	91.3	32%	0.322	47%	0.473	S	S	.	.	H	α-helix	trans	-93.6	-7.6	175.6	59.8	0	0	0	0	114	C210 M282 I283 E284	C210-S286 WeakPolarHBondContact CB-OG 3.34Å; M282-S286 WeakPolarHBondContact O-CB 3.36Å; M282-S286 PolarHBondContact O-N 3.44Å; M282-S286 VanDerWaalsContact O-N 3.17Å; M282-S286 PolarHBondContact O-OG 3.46Å; I283-S286 PolarHBondContact O-N 2.7Å; I283-S286 PolarHBondContact O-OG 3.19Å; I283-S286 VanDerWaalsContact O-OG 3.11Å; E284-S286 PolarHBondContact O-N 2.79Å
287	S	66.7	Low	63.4	Low	25 Å²	25	97.8 Å²	97.8	18%	0.175	51%	0.508	C	S	.	.	H	α-helix	trans	-92.3	-14.6	174.3	77	0	0	0	0	114.2	I283 E284	I283-S287 WeakPolarHBondContact O-CB 3.43Å; I283-S287 PolarHBondContact O-N 2.87Å; E284-S287 PolarHBondContact O-N 2.86Å; E284-S287 PolarHBondContact O-OG 3.09Å
288	N	56.4	Low	60.9	Low	155 Å²	155	99.3 Å²	99.3	83%	0.829	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	34.9	173.9	-121.6	-3.8	0	0	0	114.6	E284	E284-N288 PolarHBondContact O-N 2.99Å
289	V	50	Low	58.4	Low	111 Å²	111	99.3 Å²	99.3	67%	0.673	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-95.6	127.1	175.8	-178.1	0	0	0	0	110.2
290	P	39.2	Very low	55.8	Low	113 Å²	113	105.9 Å²	105.9	73%	0.734	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-77.4	138.5	-178.3	30	-34.3	0	0	0	113.2
291	L	40.8	Very low	53.3	Low	139 Å²	139	109.6 Å²	109.6	73%	0.728	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-69.2	130	-179.7	-69.8	163.9	0	0	0	112.8	H293	L291-H293 PolarHBondContact O-N 2.74Å
292	V	36.3	Very low	51	Low	139 Å²	139	114.9 Å²	114.9	84%	0.842	63%	0.626	S	S	*	*			trans	-96.3	72.9	164.6	-173.2	0	0	0	0	109.5
293	H	38.3	Very low	48.6	Very low	160 Å²	160	118.8 Å²	118.8	74%	0.741	66%	0.656	S	S	*	*			trans	-89.4	136.2	162.5	-86.5	-63	0	0	0	110.2	L291 K295	L291-H293 PolarHBondContact O-N 2.74Å; H293-K295 PolarHBondContact O-N 2.93Å
294	H	36.6	Very low	46.3	Very low	174 Å²	174	123.1 Å²	123.1	81%	0.806	69%	0.686	S	S	*	*			trans	-70.3	112.8	178.8	-79.4	-96.8	0	0	0	111.7
295	K	33.9	Very low	44	Very low	192 Å²	192	127.8 Å²	127.8	84%	0.835	71%	0.705	S	S	*	*			trans	46.8	121.4	153.9	-58.7	178.6	180	178.9	0	116.4	H293	H293-K295 PolarHBondContact O-N 2.93Å
296	S	36.3	Very low	41.7	Very low	113 Å²	113	129.9 Å²	129.9	79%	0.79	71%	0.714	S	S	*	*				-156.2	161.5	63.7	54.2	0	0	0	0	115.8
297	N	31.8	Very low	39.7	Very low	150 Å²	150	134.1 Å²	134.1	80%	0.802	73%	0.732	S	S	*	*			trans	-31.3	155	171.3	-43.7	-13.3	0	0	0	115.5
298	V	35.6	Very low	38	Very low	133 Å²	133	141.1 Å²	141.1	81%	0.806	76%	0.762	S	S	*	*				-150	170.9	50.1	170.6	0	0	0	0	112.2
299	S	36.4	Very low	37.1	Very low	100 Å²	100	138.6 Å²	138.6	70%	0.699	75%	0.754	S	S	*	*			trans	-57.5	174.9	179.2	58.1	0	0	0	0	115.7
300	N	36.8	Very low	36.4	Very low	138 Å²	138	140.3 Å²	140.3	74%	0.738	76%	0.764	S	S	*	*			cis	-166.3	163.6	29.4	-156.3	17.1	0	0	0	115.1
301	S	37.4	Very low	36	Very low	90 Å²	90	142.1 Å²	142.1	63%	0.629	77%	0.768	S	S	*	*			trans	57.5	148.1	148.8	54.4	0	0	0	0	122
302	E	37.9	Very low	35.9	Very low	183 Å²	183	142.6 Å²	142.6	86%	0.855	78%	0.776	S	S	*	*			cis	-165.9	178.2	-9.5	-116.4	-174	152.7	0	0	113.7
303	S	37.4	Very low	35.8	Very low	108 Å²	108	143.4 Å²	143.4	76%	0.755	78%	0.776	S	S	*	*			trans	71.9	120	173.5	72.5	0	0	0	0	117.5
304	S	39.5	Very low	35.6	Very low	90 Å²	90	143.3 Å²	143.3	63%	0.629	78%	0.781	S	S	*	*			cis	88.1	146.9	34.8	-64.8	0	0	0	0	114.9
305	K	37.1	Very low	35.3	Very low	186 Å²	186	140.4 Å²	140.4	81%	0.809	78%	0.779	S	S	*	*			cis	-175.4	158.7	-7.7	-96.2	161.4	-167.5	120.9	0	105.2
306	K	34.3	Very low	35.2	Very low	182 Å²	182	141 Å²	141	79%	0.791	78%	0.781	S	S	*	*			cis	-159.2	-166.4	-15.4	-137.8	-178.1	161.1	-161.8	0	105.1
307	L	35.8	Very low	35.3	Very low	135 Å²	135	143.8 Å²	143.8	71%	0.707	78%	0.782	S	S	*	*			cis	-151.6	-136.6	7.8	-143.1	172.3	0	0	0	110.1
308	E	30.5	Very low	35.2	Very low	172 Å²	172	145 Å²	145	80%	0.804	78%	0.78	S	S	*	*			trans	-145.1	173.5	-165.4	-85.8	-79.4	118.3	0	0	112.7
309	P	36.9	Very low	34.9	Very low	103 Å²	103	145.2 Å²	145.2	67%	0.669	78%	0.776	S	S	*	*			trans	-111.7	-179.5	-163.1	42.9	-36.1	0	0	0	117.5
310	V	36.3	Very low	34.6	Very low	146 Å²	146	149.5 Å²	149.5	89%	0.885	78%	0.782	S	S	*	*			trans	-149.9	147.3	167.3	-174.5	0	0	0	0	111.6
311	D	30.6	Very low	34.3	Very low	151 Å²	151	147.9 Å²	147.9	81%	0.807	78%	0.781	S	S	*	*			trans	-89.2	154.8	-179.8	-60.9	-73.1	0	0	0	116.5
312	V	38	Very low	34.3	Very low	149 Å²	149	149.8 Å²	149.8	90%	0.903	79%	0.792	S	S	*	*			trans	-148.5	139.5	149.7	-171	0	0	0	0	110.4
313	N	33.6	Very low	34	Very low	157 Å²	157	151 Å²	151	84%	0.84	79%	0.794	S	S	*	*			trans	-87.3	139.5	172.6	-71.7	-67.9	0	0	0	112.5
314	D	35.2	Very low	33.5	Very low	158 Å²	158	156 Å²	156	85%	0.845	80%	0.802	S	S	*	*			trans	-170.1	177	130	-137.6	-30.9	0	0	0	114.8
315	C	30.1	Very low	33.2	Very low	112 Å²	112	157.1 Å²	157.1	76%	0.757	81%	0.81	S	S	*	*			trans	77.4	97.5	158.3	-80.3	0	0	0	0	119.9	Q317	C315-Q317 PolarHBondContact O-N 3.25Å
316	K	31.7	Very low	33	Very low	204 Å²	204	154.4 Å²	154.4	89%	0.887	81%	0.812	S	S	*	*			trans	-67.2	120	155	-63.5	164.8	179.9	166	0	110.7
317	Q	38.3	Very low	32.8	Very low	172 Å²	172	155.4 Å²	155.4	80%	0.804	82%	0.816	S	S	*	*			trans	-172.2	121.8	137.8	-108.8	170	103.4	0	0	116.9	C315	C315-Q317 PolarHBondContact O-N 3.25Å
318	K	29.9	Very low	32.6	Very low	176 Å²	176	159.1 Å²	159.1	77%	0.765	83%	0.827	S	S	*	*			trans	51.1	116.6	140.5	-74.2	178.4	178.6	168.1	0	122.2
319	L	29.3	Very low	32.5	Very low	137 Å²	137	159.6 Å²	159.6	72%	0.717	83%	0.826	S	S	*	*			trans	88.7	134.7	134.3	-93.8	87.5	0	0	0	122.3
320	K	30.7	Very low	32.3	Very low	191 Å²	191	161.2 Å²	161.2	83%	0.83	83%	0.825	S	S	*	*			trans	96.8	132.8	149.9	-70.4	154.9	177.7	169.8	0	119.1
321	S	30.2	Very low	32.3	Very low	103 Å²	103	163.8 Å²	163.8	72%	0.72	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-74.9	146.7	179.5	53.2	0	0	0	0	113.9
322	P	36.8	Very low	32.4	Very low	131 Å²	131	161.4 Å²	161.4	85%	0.851	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-71.1	152.7	173	30.6	-34.9	0	0	0	112.8
323	K	31.2	Very low	32.3	Very low	207 Å²	207	162 Å²	162	90%	0.9	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-101.8	157.2	178.5	-70.7	178.1	177.9	175.3	0	112
324	K	28.4	Very low	32.4	Very low	213 Å²	213	160 Å²	160	93%	0.926	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-66.4	141.7	170	-65.5	179.4	176.2	-179.6	0	112.9
325	S	32.6	Very low	32.4	Very low	114 Å²	114	157.5 Å²	157.5	80%	0.797	79%	0.794	S	S	*	*			trans	-167.5	166.9	150.2	64.7	0	0	0	0	108.9
326	P	33.7	Very low	32.6	Very low	129 Å²	129	160 Å²	160	84%	0.838	80%	0.8	S	S	*	*			cis	-122.1	-164.9	5.3	40.2	-24.1	0	0	0	114.6
327	K	29.5	Very low	32.6	Very low	204 Å²	204	157 Å²	157	89%	0.887	79%	0.794	S	S	*	*			trans	-105.6	161.7	-166.2	-53.8	172.3	-179.8	176.9	0	113.7
328	K	31	Very low	32.4	Very low	213 Å²	213	153.5 Å²	153.5	93%	0.926	80%	0.795	S	S	*	*			trans	-140.7	159.3	142.2	-115.8	176	-178.2	178.2	0	111.2
329	K	29	Very low	32.7	Very low	181 Å²	181	151.9 Å²	151.9	79%	0.787	79%	0.794	S	S	*	*			trans	-83.8	175.4	-168.6	-55.4	173.6	179.3	179	0	111.6
330	Q	33.1	Very low	32.9	Very low	138 Å²	138	154.1 Å²	154.1	65%	0.645	80%	0.797	S	S	*	*			cis	-145.1	178.8	6.8	-115.5	127.8	-48.1	0	0	106.5
331	Y	35.9	Very low	32.7	Very low	200 Å²	200	150.4 Å²	150.4	78%	0.784	80%	0.795	S	S	*	*			cis	-149.2	169.8	33.3	-92.3	-79.8	0	0	0	112.8
332	T	32.4	Very low	33	Very low	101 Å²	101	153.3 Å²	153.3	62%	0.62	80%	0.797	S	S	*	*			trans	-53	157.2	169.8	53.4	0	0	0	0	115.2
333	E	35.1	Very low	32.6	Very low	162 Å²	162	155.1 Å²	155.1	76%	0.757	79%	0.792	S	S	*	*			cis	-150.4	-154.7	-14	-137.7	68.1	-79.1	0	0	107
334	S	35.6	Very low	32.9	Very low	113 Å²	113	153.7 Å²	153.7	79%	0.79	79%	0.788	S	S	*	*			cis	-148.7	170.9	17.6	-45.1	0	0	0	0	110.2
335	P	35.1	Very low	33.1	Very low	107 Å²	107	150.2 Å²	150.2	70%	0.695	78%	0.775	S	S	*	*			trans	-116.1	167.3	-169.2	41.5	-32.4	0	0	0	116.1
336	D	35.8	Very low	33.1	Very low	164 Å²	164	150.1 Å²	150.1	88%	0.877	78%	0.775	S	S	*	*			trans	-150.9	157.3	137.6	-135.6	-26.9	0	0	0	112
337	N	31.5	Very low	33.1	Very low	140 Å²	140	149.2 Å²	149.2	75%	0.749	77%	0.768	S	S	*	*			trans	-138.4	136.5	-165.2	-80.4	-80.6	0	0	0	115.5
338	A	33.9	Very low	33.2	Very low	100 Å²	100	146.9 Å²	146.9	83%	0.826	77%	0.766	S	S	*	*			trans	-171.3	155.4	147.7	0	0	0	0	0	112.9
339	L	36.4	Very low	33	Very low	142 Å²	142	146.5 Å²	146.5	74%	0.743	76%	0.764	S	S	*	*			cis	-157.9	134.6	-44.8	-159.8	73.8	0	0	0	110
340	K	33	Very low	32.8	Very low	183 Å²	183	143.9 Å²	143.9	80%	0.796	77%	0.767	S	S	*	*			trans	31.2	137.3	155.6	-65.8	171.3	-175.7	176.2	0	122
341	S	27.1	Very low	32.5	Very low	113 Å²	113	142 Å²	142	79%	0.79	78%	0.775	S	S	*	*			trans	-128.6	151.7	156.7	61.7	0	0	0	0	111.8
342	H	36.5	Very low	32.2	Very low	164 Å²	164	143.9 Å²	143.9	76%	0.759	78%	0.781	S	S	*	*			trans	-138.8	117.2	170.6	-88.6	-111.4	0	0	0	106.7
343	K	28.7	Very low	32.1	Very low	170 Å²	170	148.6 Å²	148.6	74%	0.739	79%	0.793	S	S	*	*				86.1	107.8	75.4	-93.8	-160.4	170	-161.1	0	113.8
344	H	36.8	Very low	31.7	Very low	177 Å²	177	147 Å²	147	82%	0.819	80%	0.799	S	S	*	*				-157.9	-179.1	126.4	-105.5	-61.6	0	0	0	109.8
345	E	32.6	Very low	31.4	Very low	140 Å²	140	147.1 Å²	147.1	65%	0.654	80%	0.795	S	S	*	*			trans	-127.2	127.2	-139.6	-68.5	146.7	122.8	0	0	117.3
346	S	32.2	Very low	31	Very low	112 Å²	112	148.5 Å²	148.5	78%	0.783	80%	0.802	S	S	*	*			trans	63.2	171.3	136.8	81.9	0	0	0	0	120.1
347	P	34.5	Very low	30.6	Very low	109 Å²	109	145.3 Å²	145.3	71%	0.708	79%	0.792	S	S	*	*			cis	-127.1	148.4	-13	33.3	-15.3	0	0	0	116.1
348	N	30.8	Very low	30.4	Very low	155 Å²	155	146.4 Å²	146.4	83%	0.829	80%	0.797	S	S	*	*			trans	25.4	113.2	145.4	-58.7	-26.1	0	0	0	121.9
349	K	27.9	Very low	30	Very low	205 Å²	205	146.7 Å²	146.7	89%	0.891	79%	0.792	S	S	*	*				-172.3	141.8	98.8	-106.7	176.6	178.4	175.9	0	115
350	C	23.8	Very low	29.8	Very low	126 Å²	126	146.4 Å²	146.4	85%	0.851	79%	0.791	S	S	*	*			trans	5.6	155.9	162.6	-60.8	0	0	0	0	124.7
351	A	26.3	Very low	29.9	Very low	98 Å²	98	144.8 Å²	144.8	81%	0.81	79%	0.786	S	S	*	*			trans	84.5	82.8	149.3	0	0	0	0	0	120.4
352	R	31	Very low	30.1	Very low	241 Å²	241	145.8 Å²	145.8	91%	0.909	78%	0.782	S	S	*	*			trans	-145.8	107.2	143.2	-94.9	163	-170.4	178.9	1.6	107.3
353	K	28.7	Very low	30.3	Very low	200 Å²	200	142.2 Å²	142.2	87%	0.87	77%	0.773	S	S	*	*				54.6	82.2	96	-70.3	-168	176.6	-173.9	0	113.3
354	S	28.6	Very low	30.6	Very low	127 Å²	127	138.8 Å²	138.8	89%	0.888	76%	0.763	S	S	*	*			trans	-73.4	139.4	154.3	46.2	0	0	0	0	109.4
355	V	28.4	Very low	30.7	Very low	117 Å²	117	135.6 Å²	135.6	71%	0.709	76%	0.756	S	S	*	*			trans	-112.9	148	-174.7	173.6	0	0	0	0	109.3
356	T	26.2	Very low	31	Very low	136 Å²	136	133.2 Å²	133.2	83%	0.834	76%	0.76	S	S	*	*			trans	62.2	145.9	175.4	40.1	0	0	0	0	116.7
357	S	28.3	Very low	31	Very low	97 Å²	97	138.3 Å²	138.3	68%	0.678	76%	0.762	S	S	*	*			cis	-136.3	149.3	0.9	51.6	0	0	0	0	111
358	L	26.4	Very low	30.7	Very low	163 Å²	163	139.1 Å²	139.1	85%	0.853	77%	0.768	S	S	*	*			trans	-98.7	114.4	169.2	-80.2	165.5	0	0	0	108.4
359	C	25.2	Very low	30.7	Very low	105 Å²	105	138.1 Å²	138.1	71%	0.709	77%	0.767	S	S	*	*			trans	-115.2	104.1	167.1	-67.6	0	0	0	0	107.6	E361	C359-E361 PolarHBondContact O-N 2.88Å
360	N	33.6	Very low	30.7	Very low	137 Å²	137	135.5 Å²	135.5	73%	0.733	76%	0.762	S	S	*	*			trans	-72.2	124.7	176.6	-68	-8	0	0	0	109	L362	N360-L362 PolarHBondContact O-N 3.36Å
361	E	33.4	Very low	31	Very low	148 Å²	148	136.1 Å²	136.1	69%	0.692	76%	0.762	S	S	*	*			trans	-70	123.8	168.6	-71.1	-165.6	176.7	0	0	109.9	C359 K498	C359-E361 PolarHBondContact O-N 2.88Å; E361-K498 IonicContact OE1-NZ 2.6Å; E361-K498 PolarHBondContact OE1-NZ 2.79Å; E361-K498 IonicContact OE2-NZ 2.76Å; E361-K498 PolarHBondContact OE2-NZ 3.15Å
362	L	33.3	Very low	31.2	Very low	135 Å²	135	138.7 Å²	138.7	71%	0.707	76%	0.762	S	S	*	*			trans	-128.9	112.1	171.5	-78.8	168.9	0	0	0	108.6	N360	N360-L362 PolarHBondContact O-N 3.36Å
363	P	39.8	Very low	31.1	Very low	88 Å²	88	134.3 Å²	134.3	57%	0.571	76%	0.756	S	S	*	*			trans	-66.5	135.2	167.8	28.7	-32.6	0	0	0	109.3	T365	P363-T365 HydrophobicContact CB-CG2 4.39Å; P363-T365 HydrophobicContact CG-CG2 4.29Å; P363-T365 PolarHBondContact O-N 3.01Å
364	L	35.8	Very low	31.4	Very low	98 Å²	98	130.3 Å²	130.3	51%	0.513	75%	0.754	S	S	.	*			trans	-67.8	94	173.2	-75.9	166.5	0	0	0	109	T503	L364-T503 HydrophobicContact CD1-CG2 4.44Å
365	T	38.7	Very low	31.6	Very low	110 Å²	110	130.7 Å²	130.7	68%	0.675	75%	0.751	S	S	*	*			trans	-104.5	128.5	178.3	45.7	0	0	0	0	109.7	P363 R367	P363-T365 HydrophobicContact CB-CG2 4.39Å; P363-T365 HydrophobicContact CG-CG2 4.29Å; P363-T365 PolarHBondContact O-N 3.01Å; T365-R367 PolarHBondContact O-N 2.88Å
366	A	37.4	Very low	31.6	Very low	91 Å²	91	134.5 Å²	134.5	75%	0.752	76%	0.758	S	S	*	*	S	Bend	trans	-80.3	48.1	-168.2	0	0	0	0	0	114.3
367	R	32.8	Very low	31.9	Very low	218 Å²	218	135.6 Å²	135.6	82%	0.823	76%	0.759	S	S	*	*			trans	-144.1	111.3	174.3	-69.3	-168.1	177.5	175.4	1.7	112.9	T365	T365-R367 PolarHBondContact O-N 2.88Å
368	P	28.1	Very low	32	Very low	127 Å²	127	134.8 Å²	134.8	83%	0.825	75%	0.753	S	S	*	*			trans	-77.1	133.6	167.2	31.9	-32	0	0	0	110.3
369	V	31.8	Very low	32.3	Very low	133 Å²	133	135.7 Å²	135.7	81%	0.806	75%	0.751	S	S	*	*			trans	-120.5	124.3	173.7	-179.4	0	0	0	0	108.7
370	L	27.4	Very low	32.6	Very low	150 Å²	150	136.6 Å²	136.6	79%	0.785	75%	0.753	S	S	*	*			trans	-73.4	149	-177.2	-67.3	83.6	0	0	0	111.5
371	T	29.2	Very low	32.4	Very low	139 Å²	139	136.9 Å²	136.9	85%	0.853	75%	0.754	S	S	*	*			trans	-120.1	141	162.1	49.6	0	0	0	0	108.8
372	N	31.5	Very low	32.3	Very low	152 Å²	152	140 Å²	140	81%	0.813	76%	0.76	S	S	*	*			trans	-119.1	158.6	-168.5	-112.5	-17.5	0	0	0	112.6
373	N	28.8	Very low	32	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	77%	0.765	S	S	*	*			trans	-86.7	152.9	-163.4	-57.6	-61.1	0	0	0	115.5
374	S	34.3	Very low	31.5	Very low	116 Å²	116	144.7 Å²	144.7	81%	0.811	78%	0.775	S	S	*	*			trans	173.1	151.5	138.1	44.5	0	0	0	0	109.7
375	T	32.3	Very low	31.1	Very low	135 Å²	135	145.4 Å²	145.4	83%	0.828	79%	0.788	S	S	*	*			cis	-140.4	157	8.6	-33.7	0	0	0	0	111
376	F	28.8	Very low	30.6	Very low	198 Å²	198	145.9 Å²	145.9	87%	0.868	80%	0.796	S	S	*	*			trans	-109.7	143.3	179.4	-132.4	-93	0	0	0	111.1
377	N	32.6	Very low	30.2	Very low	158 Å²	158	145.2 Å²	145.2	85%	0.845	80%	0.798	S	S	*	*			trans	174.5	148.5	155.3	-96.3	-20.9	0	0	0	110.3
378	S	30.9	Very low	30	Very low	80 Å²	80	142.8 Å²	142.8	56%	0.559	80%	0.8	S	S	*	*			cis	-166.1	161.5	-19.8	64.9	0	0	0	0	109.7
379	K	32.8	Very low	30.2	Very low	183 Å²	183	140.8 Å²	140.8	80%	0.796	79%	0.789	S	S	*	*			trans	71.1	118.8	173.8	-52.9	172.6	-175.4	178.9	0	114.6
380	T	31.9	Very low	30.3	Very low	123 Å²	123	143 Å²	143	76%	0.755	79%	0.788	S	S	*	*			cis	78.1	111.8	35.7	76.8	0	0	0	0	115.1
381	D	29.6	Very low	30.3	Very low	144 Å²	144	142.4 Å²	142.4	77%	0.77	79%	0.79	S	S	*	*				-157.6	-178.4	103.7	-132.4	-48	0	0	0	112.7
382	R	30.4	Very low	30.7	Very low	214 Å²	214	141.1 Å²	141.1	81%	0.808	78%	0.784	S	S	*	*			trans	-89.4	143.3	-166.6	-56.1	148.7	175.6	167.9	-1.6	113.6
383	N	27.6	Very low	30.7	Very low	150 Å²	150	140.5 Å²	140.5	80%	0.802	79%	0.787	S	S	*	*				174.5	168.5	115	-91.7	-27.5	0	0	0	115.8
384	H	28.3	Very low	31	Very low	171 Å²	171	139.8 Å²	139.8	79%	0.792	78%	0.783	S	S	*	*			trans	-46.1	156.2	-176	-74.2	-105.4	0	0	0	119.9
385	S	27.4	Very low	31.1	Very low	113 Å²	113	144 Å²	144	79%	0.79	79%	0.787	S	S	*	*			trans	87.2	155.5	138.6	74.8	0	0	0	0	121
386	S	29.4	Very low	31.4	Very low	120 Å²	120	143.7 Å²	143.7	84%	0.839	78%	0.779	S	S	*	*			trans	-48.4	129	177.2	47	0	0	0	0	115.3
387	G	27.9	Very low	31.8	Very low	76 Å²	76	141.1 Å²	141.1	78%	0.784	77%	0.774	S	S	*	*			trans	-144.4	119.9	173.7	0	0	0	0	0	112.7
388	L	29.9	Very low	32.1	Very low	167 Å²	167	142.6 Å²	142.6	87%	0.874	77%	0.773	S	S	*	*			trans	-89.7	108	-168.9	178.8	66.8	0	0	0	113.9
389	S	31.4	Very low	32.6	Very low	85 Å²	85	143.1 Å²	143.1	59%	0.594	78%	0.775	S	S	*	*			trans	74.4	162.9	145.1	83.5	0	0	0	0	121.9
390	K	33.7	Very low	33.2	Very low	181 Å²	181	140.5 Å²	140.5	79%	0.787	77%	0.769	S	S	*	*			trans	93.5	114.8	150.5	-77.4	172.1	-177.4	176.6	0	121.6
391	T	27.3	Very low	34	Very low	136 Å²	136	138.7 Å²	138.7	83%	0.834	76%	0.762	S	S	*	*			trans	92	143.1	140.9	50.7	0	0	0	0	120.5
392	P	37.4	Very low	35	Very low	112 Å²	112	137.3 Å²	137.3	73%	0.727	75%	0.754	S	S	*	*			trans	-127.5	158.8	-160.1	40.5	-23.5	0	0	0	115.7
393	T	32.7	Very low	35.9	Very low	140 Å²	140	134 Å²	134	86%	0.859	75%	0.751	S	S	*	*			trans	-158.2	151.5	154.8	-10.6	0	0	0	0	113.8
394	N	34.8	Very low	37	Very low	133 Å²	133	135.4 Å²	135.4	71%	0.711	75%	0.75	S	S	*	*			trans	-75	147.8	-161.1	-44.5	-47.4	0	0	0	117.1
395	F	35.9	Very low	38.1	Very low	204 Å²	204	132.3 Å²	132.3	90%	0.895	74%	0.736	S	S	*	*			trans	-148.5	138	137.9	-83.4	-88.5	0	0	0	106.1
396	I	38.5	Very low	38.7	Very low	129 Å²	129	133.6 Å²	133.6	66%	0.662	73%	0.731	S	S	*	*			cis	109.3	135.2	23	-71.3	175.4	0	0	0	112.7
397	D	38.4	Very low	39.6	Very low	144 Å²	144	130.1 Å²	130.1	77%	0.77	71%	0.714	S	S	*	*			trans	71.3	112.2	171	-62.2	-26.1	0	0	0	123.8
398	K	37.2	Very low	40.9	Very low	190 Å²	190	129.7 Å²	129.7	83%	0.826	70%	0.699	S	S	*	*				-178.2	123.4	112.6	-100.7	176.4	179.9	-180	0	113
399	P	41.4	Very low	42.3	Very low	91 Å²	91	127.6 Å²	127.6	59%	0.591	68%	0.683	S	S	*	*			trans	-111.2	1.1	-172.4	40.3	-35.1	0	0	0	117.4	S401	P399-S401 VanDerWaalsContact C-N 3.26Å; P399-S401 PolarHBondContact O-N 3.2Å
400	D	45.6	Very low	43.9	Very low	128 Å²	128	130.8 Å²	130.8	68%	0.684	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-9.1	-161.3	-57.5	-48.7	0	0	0	117.2
401	S	50	Low	45.7	Very low	85 Å²	85	126.8 Å²	126.8	59%	0.594	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-36.6	-177.1	52.3	0	0	0	0	113.9	P399 L403 K404	P399-S401 VanDerWaalsContact C-N 3.26Å; P399-S401 PolarHBondContact O-N 3.2Å; S401-L403 PolarHBondContact O-N 3.04Å; S401-K404 PolarHBondContact O-N 2.82Å
402	L	49.9	Very low	48.4	Very low	115 Å²	115	124.4 Å²	124.4	60%	0.602	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-28.8	-166.1	-71.2	169.4	0	0	0	114.3	K404 E405	L402-K404 VanDerWaalsContact C-N 3.26Å; L402-K404 PolarHBondContact O-N 2.88Å; L402-E405 PolarHBondContact O-N 3.05Å
403	L	49.9	Very low	50.9	Low	145 Å²	145	123.4 Å²	123.4	76%	0.759	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-26.7	177.9	-70	173.9	0	0	0	112.2	S401 E405 M406	S401-L403 PolarHBondContact O-N 3.04Å; L403-E405 VanDerWaalsContact C-N 3.34Å; L403-M406 PolarHBondContact O-N 3.4Å
404	K	50.5	Low	53.7	Low	179 Å²	179	118 Å²	118	78%	0.778	62%	0.618	S	S	*	*	H	α-helix	trans	-71.3	-29.6	179.8	-139.4	171	-173.5	176.4	0	112.4	S401 L402	S401-K404 PolarHBondContact O-N 2.82Å; L402-K404 VanDerWaalsContact C-N 3.26Å; L402-K404 PolarHBondContact O-N 2.88Å
405	E	50	Low	56.4	Low	105 Å²	105	113 Å²	113	49%	0.491	59%	0.593	S	S	.	*	H	α-helix	trans	-77.2	-16.3	177.3	-59.3	-170.8	165.7	0	0	114.5	L402 L403 S408 K409	L402-E405 PolarHBondContact O-N 3.05Å; L403-E405 VanDerWaalsContact C-N 3.34Å; E405-S408 PolarHBondContact O-OG 3.24Å; E405-K409 WeakPolarHBondContact O-CD 3.16Å
406	M	41.4	Very low	59	Low	141 Å²	141	106.4 Å²	106.4	70%	0.695	57%	0.567	S	S	*	*	H	α-helix	trans	-78.1	-47.9	174.4	-82.4	-75.7	-166.7	0	0	110.8	L403 S408 K409	L403-M406 PolarHBondContact O-N 3.4Å; M406-S408 PolarHBondContact O-N 3.43Å; M406-K409 PolarHBondContact O-N 2.86Å
407	G	48.3	Very low	61.6	Low	46 Å²	46	103.9 Å²	103.9	47%	0.474	55%	0.551	S	S	.	*	H	α-helix	trans	-61.2	-40.7	-178.2	0	0	0	0	0	113.3	K409 L410	G407-K409 PolarHBondContact O-N 2.84Å; G407-K409 VanDerWaalsContact O-N 3.16Å; G407-L410 PolarHBondContact O-N 3.3Å
408	S	55.6	Low	64.1	Low	67 Å²	67	99.6 Å²	99.6	47%	0.469	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.5	-178.2	58.1	0	0	0	0	114.8	E405 M406 S411	E405-S408 PolarHBondContact O-OG 3.24Å; M406-S408 PolarHBondContact O-N 3.43Å; S408-S411 PolarHBondContact O-OG 2.76Å
409	K	58.3	Low	66.7	Low	124 Å²	124	95.6 Å²	95.6	54%	0.539	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.4	-179.6	-70.5	171.4	-176.7	156.2	0	113.9	E405 M406 G407	E405-K409 WeakPolarHBondContact O-CD 3.16Å; M406-K409 PolarHBondContact O-N 2.86Å; G407-K409 PolarHBondContact O-N 2.84Å; G407-K409 VanDerWaalsContact O-N 3.16Å
410	L	64.3	Low	69.1	Low	152 Å²	152	93.2 Å²	93.2	80%	0.796	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-22.4	172.8	-70.4	170.9	0	0	0	112.4	G407	G407-L410 PolarHBondContact O-N 3.3Å
411	S	72.4	Confident	71.2	Confident	96 Å²	96	93.2 Å²	93.2	67%	0.671	50%	0.497	S	S	*	.	S	Bend	trans	-85.7	-0.5	177.4	48.7	0	0	0	0	114.8	S408	S408-S411 PolarHBondContact O-OG 2.76Å
412	E	84	Confident	73.1	Confident	86 Å²	86	91.5 Å²	91.5	40%	0.402	48%	0.484	S	S	.	.	S	Bend	trans	-81.8	136.2	-177.1	-169.4	172.7	-152.4	0	0	111.8	D416 K417	E412-D416 HydrophobicContact CG-CB 4.11Å; E412-K417 HydrophobicContact CG-CB 4.17Å
413	L	90.4	Very high	75	Confident	92 Å²	92	86.5 Å²	86.5	48%	0.482	46%	0.458	S	S	.	.			trans	-63.3	143.9	175.8	-66.6	176.2	0	0	0	110.8	V415 D416 K417	L413-V415 PolarHBondContact O-N 3.13Å; L413-V415 VanDerWaalsContact O-N 3.12Å; L413-D416 PolarHBondContact O-N 2.81Å; L413-K417 WeakPolarHBondContact O-CB 3.37Å; L413-K417 PolarHBondContact O-N 3.23Å
414	W	91.9	Very high	76.8	Confident	25 Å²	25	90.2 Å²	90.2	10%	0.095	46%	0.462	C	S	.	.	H	α-helix	trans	-60.7	-27.2	-179.6	-70.7	14.3	0	0	0	112.4	D416 Y418 I619 E623 I647 V650 Q651 C654	W414-D416 VanDerWaalsContact C-N 3.34Å; W414-Y418 HydrophobicContact CB-CD2 4.3Å; W414-Y418 WeakPolarHBondContact O-CB 3.35Å; W414-Y418 WeakPolarHBondContact O-CD2 3.22Å; W414-Y418 PolarHBondContact O-N 2.81Å; W414-I619 HydrophobicContact CD2-CG2 4.47Å; W414-I619 HydrophobicContact CE3-CG2 3.71Å; W414-I619 HydrophobicContact CZ3-CG2 4.07Å; W414-E623 HydrophobicContact CD2-CG 4.19Å; W414-E623 HydrophobicContact CE3-CG 4.42Å; W414-E623 HydrophobicContact CH2-CB 3.85Å; W414-E623 HydrophobicContact CH2-CG 3.82Å; W414-E623 HydrophobicContact CZ2-CB 3.74Å; W414-E623 HydrophobicContact CZ2-CG 3.54Å; W414-E623 HydrophobicContact CZ3-CG 4.23Å; W414-I647 HydrophobicContact CB-CG2 3.55Å; W414-V650 HydrophobicContact CZ3-CG1 3.94Å; W414-Q651 HydrophobicContact CB-CB 4.44Å; W414-Q651 VanDerWaalsContact CD1-CD 3.43Å; W414-Q651 HydrophobicContact CD2-CB 3.76Å; W414-Q651 HydrophobicContact CD2-CG 3.84Å; W414-Q651 HydrophobicContact CE3-CB 3.93Å; W414-Q651 HydrophobicContact CE3-CG 4.49Å; W414-Q651 HydrophobicContact CG-CB 4.01Å; W414-Q651 HydrophobicContact CG-CG 3.86Å; W414-Q651 HydrophobicContact CZ2-CG 4.44Å; W414-Q651 HydrophobicContact CZ3-CB 4.47Å; W414-C654 HydrophobicContact CH2-CB 3.81Å; W414-C654 HydrophobicContact CZ2-CB 4.31Å
415	V	91.7	Very high	78.6	Confident	29 Å²	29	84 Å²	84	18%	0.176	44%	0.442	C	S	.	.	H	α-helix	trans	-62.6	-37.5	174.1	168.9	0	0	0	0	112.7	L413 K419 R644 I647 N648	L413-V415 PolarHBondContact O-N 3.13Å; L413-V415 VanDerWaalsContact O-N 3.12Å; V415-K419 PolarHBondContact O-N 3.14Å; V415-R644 HydrophobicContact CG1-CG 4.08Å; V415-R644 HydrophobicContact CG2-CG 3.92Å; V415-I647 HydrophobicContact CG2-CB 3.99Å; V415-I647 HydrophobicContact CG2-CG2 3.73Å; V415-N648 WeakPolarHBondContact CG2-OD1 3.42Å
416	D	90	Very high	80.5	Confident	66 Å²	66	79.4 Å²	79.4	35%	0.353	42%	0.42	S	S	.	.	H	α-helix	trans	-90.3	-43.5	-179	-67.4	-62.7	0	0	0	111.2	E412 L413 W414 Y418 K419	E412-D416 HydrophobicContact CG-CB 4.11Å; L413-D416 PolarHBondContact O-N 2.81Å; W414-D416 VanDerWaalsContact C-N 3.34Å; D416-Y418 PolarHBondContact O-N 3.23Å; D416-Y418 VanDerWaalsContact O-N 3.16Å; D416-K419 WeakPolarHBondContact O-CB 3.46Å; D416-K419 PolarHBondContact O-N 2.89Å; D416-K419 IonicContact OD1-NZ 3.8Å
417	K	91.6	Very high	82.8	Confident	75 Å²	75	74.6 Å²	74.6	33%	0.326	40%	0.397	S	S	.	.	H	α-helix	trans	-54.4	-32.7	172	-174.4	-179.3	-179	-175	0	113.2	E412 L413 E623	E412-K417 HydrophobicContact CG-CB 4.17Å; L413-K417 WeakPolarHBondContact O-CB 3.37Å; L413-K417 PolarHBondContact O-N 3.23Å; K417-E623 WeakPolarHBondContact CD-OE1 3.42Å; K417-E623 VanDerWaalsContact CE-OE1 3.22Å; K417-E623 WeakPolarHBondContact CE-OE1 3.5Å; K417-E623 IonicContact NZ-OE1 2.69Å; K417-E623 PolarHBondContact NZ-OE1 3.4Å; K417-E623 IonicContact NZ-OE2 3.72Å; K417-E623 PolarHBondContact NZ-OE2 3.1Å
418	Y	92	Very high	84.5	Confident	55 Å²	55	73.6 Å²	73.6	22%	0.216	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	20.6	175.3	-62.7	-61.8	0	0	0	114.6	W414 D416 P420 I619 K622 E623	W414-Y418 HydrophobicContact CB-CD2 4.3Å; W414-Y418 WeakPolarHBondContact O-CB 3.35Å; W414-Y418 WeakPolarHBondContact O-CD2 3.22Å; W414-Y418 PolarHBondContact O-N 2.81Å; D416-Y418 PolarHBondContact O-N 3.23Å; D416-Y418 VanDerWaalsContact O-N 3.16Å; Y418-P420 WeakPolarHBondContact O-CD 3.41Å; Y418-I619 HydrophobicContact CD1-CG1 4.48Å; Y418-I619 HydrophobicContact CD2-CB 4.37Å; Y418-I619 HydrophobicContact CD2-CD1 4.18Å; Y418-I619 HydrophobicContact CD2-CG1 3.92Å; Y418-I619 HydrophobicContact CD2-CG2 3.67Å; Y418-I619 HydrophobicContact CE2-CB 4.43Å; Y418-I619 HydrophobicContact CE2-CG1 4.37Å; Y418-I619 HydrophobicContact CE2-CG2 3.6Å; Y418-I619 HydrophobicContact CG-CD1 4.21Å; Y418-I619 HydrophobicContact CG-CG1 3.97Å; Y418-K622 HydrophobicContact CD1-CD 4.46Å; Y418-K622 HydrophobicContact CE1-CD 3.61Å; Y418-K622 VanDerWaalsContact OH-CB 3.32Å; Y418-K622 WeakPolarHBondContact OH-CB 3.19Å; Y418-E623 HydrophobicContact CE2-CG 4.17Å; Y418-E623 WeakPolarHBondContact CE2-OE1 3.34Å; Y418-E623 PolarHBondContact OH-OE1 2.97Å
419	K	91.7	Very high	86	Confident	105 Å²	105	71.1 Å²	71.1	46%	0.457	37%	0.368	S	S	.	.			trans	-56.2	123.9	174.5	-167.6	167	-172.9	166.7	0	110.1	V415 D416 T421	V415-K419 PolarHBondContact O-N 3.14Å; D416-K419 WeakPolarHBondContact O-CB 3.46Å; D416-K419 PolarHBondContact O-N 2.89Å; D416-K419 IonicContact OD1-NZ 3.8Å; K419-T421 PolarHBondContact O-N 3.18Å
420	P	92	Very high	87.2	Confident	41 Å²	41	69.8 Å²	69.8	27%	0.266	37%	0.367	S	S	.	.			trans	-55.1	127.3	-176.3	-31.4	37.9	0	0	0	112.9	Y418 L426 L495	Y418-P420 WeakPolarHBondContact O-CD 3.41Å; P420-L426 HydrophobicContact CB-CD2 4.04Å; P420-L426 HydrophobicContact CG-CD2 4.21Å; P420-L495 HydrophobicContact CB-CD1 3.99Å; P420-L495 WeakPolarHBondContact O-CD1 3.45Å
421	T	89	Confident	88.1	Confident	129 Å²	129	64.5 Å²	64.5	79%	0.791	35%	0.349	S	S	*	.			trans	-99.1	-6.5	-178.4	55.2	0	0	0	0	113.8	K419 S425 L495	K419-T421 PolarHBondContact O-N 3.18Å; T421-S425 PolarHBondContact N-OG 3.19Å; T421-L495 WeakPolarHBondContact O-CD2 3.36Å
422	S	90.3	Very high	88.4	Confident	48 Å²	48	64.2 Å²	64.2	34%	0.336	35%	0.352	S	S	.	.	S	Bend	trans	-146.5	154.2	176	69.7	0	0	0	0	111.6	R424 S425	S422-R424 PolarHBondContact O-N 3.1Å; S422-R424 VanDerWaalsContact O-N 3.14Å; S422-S425 PolarHBondContact N-OG 3.07Å; S422-S425 PolarHBondContact O-N 3.07Å; S422-S425 PolarHBondContact O-OG 2.91Å; S422-S425 PolarHBondContact OG-OG 2.8Å
423	I	88.7	Confident	88.2	Confident	11 Å²	11	66.7 Å²	66.7	6%	0.056	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-57.7	-31.7	177.6	-62	-176.7	0	0	0	111.4	S425 L426 A436 L440 L495 V496 Q499	I423-S425 PolarHBondContact O-N 2.91Å; I423-L426 HydrophobicContact CG2-CD1 4.29Å; I423-L426 WeakPolarHBondContact O-CB 3.48Å; I423-L426 PolarHBondContact O-N 3.13Å; I423-L426 VanDerWaalsContact O-N 3.17Å; I423-A436 HydrophobicContact CG2-CB 4.34Å; I423-L440 HydrophobicContact CD1-CD1 4.2Å; I423-L440 HydrophobicContact CD1-CD2 4.27Å; I423-L495 HydrophobicContact CG1-CB 4.09Å; I423-V496 HydrophobicContact CD1-CG2 3.67Å; I423-Q499 HydrophobicContact CD1-CB 4.27Å
424	R	88.2	Confident	88	Confident	222 Å²	222	62.7 Å²	62.7	84%	0.838	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-64.4	-25.9	176.7	-63.8	-179.3	-176.4	162	2.5	113.6	S422 N430	S422-R424 PolarHBondContact O-N 3.1Å; S422-R424 VanDerWaalsContact O-N 3.14Å; R424-N430 PolarHBondContact O-ND2 3.22Å
425	S	88.7	Confident	88	Confident	50 Å²	50	62.5 Å²	62.5	35%	0.35	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-86.3	-0.1	176.4	48	0	0	0	0	114.6	T421 S422 I423 I427	T421-S425 PolarHBondContact N-OG 3.19Å; S422-S425 PolarHBondContact N-OG 3.07Å; S422-S425 PolarHBondContact O-N 3.07Å; S422-S425 PolarHBondContact O-OG 2.91Å; S422-S425 PolarHBondContact OG-OG 2.8Å; I423-S425 PolarHBondContact O-N 2.91Å; S425-I427 PolarHBondContact O-N 2.9Å
426	L	90.8	Very high	88	Confident	7 Å²	7	61.1 Å²	61.1	4%	0.037	34%	0.338	C	S	.	.	S	Bend	trans	-76.2	115.2	174.9	-69.8	169.9	0	0	0	111.3	P420 I423 G428 Q429 N430 A436 T492 L495	P420-L426 HydrophobicContact CB-CD2 4.04Å; P420-L426 HydrophobicContact CG-CD2 4.21Å; I423-L426 HydrophobicContact CG2-CD1 4.29Å; I423-L426 WeakPolarHBondContact O-CB 3.48Å; I423-L426 PolarHBondContact O-N 3.13Å; I423-L426 VanDerWaalsContact O-N 3.17Å; L426-G428 PolarHBondContact O-N 3.37Å; L426-Q429 HydrophobicContact CB-CB 3.91Å; L426-Q429 HydrophobicContact CB-CG 4.2Å; L426-Q429 PolarHBondContact O-N 3.12Å; L426-N430 PolarHBondContact O-OD1 3.2Å; L426-A436 HydrophobicContact CD1-CB 4.3Å; L426-T492 HydrophobicContact CD1-CG2 4.05Å; L426-L495 HydrophobicContact CD1-CD1 4.04Å; L426-L495 HydrophobicContact CD2-CD1 3.93Å; L426-L495 HydrophobicContact CG-CD1 3.88Å
427	I	89.5	Confident	88	Confident	40 Å²	40	59.8 Å²	59.8	21%	0.205	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	121.6	-177.1	-60.6	162.3	0	0	0	110.4	S425 Q429 P607 Q611 A615 I643	S425-I427 PolarHBondContact O-N 2.9Å; I427-Q429 VanDerWaalsContact C-N 3.26Å; I427-Q429 PolarHBondContact O-N 2.94Å; I427-P607 HydrophobicContact CG2-CB 4.31Å; I427-Q611 HydrophobicContact CG2-CB 4.03Å; I427-A615 HydrophobicContact CD1-CB 3.45Å; I427-A615 VanDerWaalsContact CD1-CB 3.45Å; I427-A615 HydrophobicContact CG1-CB 3.74Å; I427-I643 HydrophobicContact CB-CD1 4.09Å; I427-I643 HydrophobicContact CD1-CD1 4.16Å; I427-I643 HydrophobicContact CD1-CG2 3.86Å; I427-I643 HydrophobicContact CG2-CD1 4.31Å
428	G	84.1	Confident	87.9	Confident	26 Å²	26	59.1 Å²	59.1	27%	0.268	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-5.5	176	0	0	0	0	0	115.8	L426	L426-G428 PolarHBondContact O-N 3.37Å
429	Q	86.1	Confident	88	Confident	15 Å²	15	56.5 Å²	56.5	7%	0.07	32%	0.315	C	S	.	.			trans	-97.2	10.2	-175.6	-58.1	-57	-33.2	0	0	114.1	L426 I427 G431 S434 A436 F604	L426-Q429 HydrophobicContact CB-CB 3.91Å; L426-Q429 HydrophobicContact CB-CG 4.2Å; L426-Q429 PolarHBondContact O-N 3.12Å; I427-Q429 VanDerWaalsContact C-N 3.26Å; I427-Q429 PolarHBondContact O-N 2.94Å; Q429-G431 VanDerWaalsContact C-N 3.34Å; Q429-G431 PolarHBondContact O-N 3.19Å; Q429-S434 WeakPolarHBondContact O-CB 3.43Å; Q429-S434 PolarHBondContact O-OG 2.93Å; Q429-A436 HydrophobicContact CB-CB 3.98Å; Q429-F604 HydrophobicContact CG-CE1 4.46Å
430	N	82.8	Confident	88	Confident	96 Å²	96	52.6 Å²	52.6	51%	0.513	30%	0.299	S	S	.	.			trans	-77.7	-10.3	-173.2	-48.9	85.4	0	0	0	115.1	R424 L426	R424-N430 PolarHBondContact O-ND2 3.22Å; L426-N430 PolarHBondContact O-OD1 3.2Å
431	G	84.8	Confident	87.9	Confident	41 Å²	41	55.1 Å²	55.1	42%	0.423	31%	0.311	S	S	.	.	S	Bend	trans	-71.7	148.9	-177.9	0	0	0	0	0	113.3	Q429 Q433 S434 N437	Q429-G431 VanDerWaalsContact C-N 3.34Å; Q429-G431 PolarHBondContact O-N 3.19Å; G431-Q433 PolarHBondContact O-N 2.79Å; G431-S434 WeakPolarHBondContact O-CB 3.37Å; G431-S434 PolarHBondContact O-N 3.2Å; G431-S434 PolarHBondContact O-OG 3.24Å; G431-S434 VanDerWaalsContact O-OG 3.1Å; G431-N437 PolarHBondContact O-ND2 3.17Å
432	A	78.2	Confident	87.9	Confident	90 Å²	90	49.1 Å²	49.1	74%	0.744	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.1	-177.6	0	0	0	0	0	113.9
433	Q	80.5	Confident	87.9	Confident	137 Å²	137	46.9 Å²	46.9	64%	0.64	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	18.8	176.1	-70.7	-70	-1.9	0	0	113.6	G431	G431-Q433 PolarHBondContact O-N 2.79Å
434	S	86.4	Confident	87.9	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.063	28%	0.275	C	S	.	.			trans	-69.3	149.7	-179.4	72	0	0	0	0	112.3	Q429 G431 A436 N437 R438	Q429-S434 WeakPolarHBondContact O-CB 3.43Å; Q429-S434 PolarHBondContact O-OG 2.93Å; G431-S434 WeakPolarHBondContact O-CB 3.37Å; G431-S434 PolarHBondContact O-N 3.2Å; G431-S434 PolarHBondContact O-OG 3.24Å; G431-S434 VanDerWaalsContact O-OG 3.1Å; S434-A436 PolarHBondContact O-N 2.82Å; S434-N437 PolarHBondContact O-N 3.45Å; S434-N437 VanDerWaalsContact O-N 3.14Å; S434-N437 PolarHBondContact OG-N 2.91Å; S434-N437 VanDerWaalsContact OG-N 3.13Å; S434-N437 PolarHBondContact OG-ND2 3.36Å; S434-R438 PolarHBondContact O-N 2.91Å
435	P	90.4	Very high	87.7	Confident	21 Å²	21	39.9 Å²	39.9	14%	0.136	24%	0.244	C	C	.	.	H	α-helix	trans	-46.7	-39.3	167.5	-31.9	35.5	0	0	0	114.1	L439 L602 R603 F604	P435-L439 WeakPolarHBondContact O-CB 3.21Å; P435-L439 PolarHBondContact O-N 2.97Å; P435-L602 HydrophobicContact CB-CB 4.46Å; P435-R603 WeakPolarHBondContact CG-O 3.37Å; P435-F604 HydrophobicContact CB-CD1 4.28Å; P435-F604 HydrophobicContact CB-CD2 3.94Å; P435-F604 HydrophobicContact CB-CE1 3.97Å; P435-F604 HydrophobicContact CB-CE2 3.57Å; P435-F604 HydrophobicContact CB-CG 4.26Å; P435-F604 HydrophobicContact CB-CZ 3.59Å; P435-F604 HydrophobicContact CG-CD2 4.34Å; P435-F604 HydrophobicContact CG-CE2 4.44Å; P435-F604 HydrophobicContact CG-CG 4.38Å
436	A	91.4	Very high	87.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-47	177.7	0	0	0	0	0	112.9	I423 L426 Q429 S434 L439 L440 T492	I423-A436 HydrophobicContact CG2-CB 4.34Å; L426-A436 HydrophobicContact CD1-CB 4.3Å; Q429-A436 HydrophobicContact CB-CB 3.98Å; S434-A436 PolarHBondContact O-N 2.82Å; A436-L439 PolarHBondContact O-N 3.37Å; A436-L440 WeakPolarHBondContact O-CB 3.41Å; A436-L440 PolarHBondContact O-N 2.97Å; A436-T492 HydrophobicContact CB-CG2 3.52Å
437	N	90.7	Very high	87.2	Confident	38 Å²	38	39 Å²	39	20%	0.203	23%	0.234	C	C	.	.	H	α-helix	trans	-71.1	-34.5	178.4	-72.2	-39.4	0	0	0	111.8	G431 S434 L440 N441	G431-N437 PolarHBondContact O-ND2 3.17Å; S434-N437 PolarHBondContact O-N 3.45Å; S434-N437 VanDerWaalsContact O-N 3.14Å; S434-N437 PolarHBondContact OG-N 2.91Å; S434-N437 VanDerWaalsContact OG-N 3.13Å; S434-N437 PolarHBondContact OG-ND2 3.36Å; N437-L440 PolarHBondContact O-N 2.84Å; N437-N441 WeakPolarHBondContact O-CB 3.46Å; N437-N441 PolarHBondContact O-N 3.16Å; N437-N441 PolarHBondContact O-OD1 2.98Å
438	R	90.6	Very high	86.7	Confident	60 Å²	60	40.9 Å²	40.9	23%	0.226	25%	0.25	C	S	.	.	H	α-helix	trans	-64	-42.2	171.5	-72	-174.5	68.4	-147.3	-1.8	111.9	S434 N441 W442 D471 L602	S434-R438 PolarHBondContact O-N 2.91Å; R438-N441 PolarHBondContact O-N 2.77Å; R438-W442 WeakPolarHBondContact O-CB 3.45Å; R438-W442 PolarHBondContact O-N 3.2Å; R438-D471 PolarHBondContact NH2-O 2.71Å; R438-D471 IonicContact NH2-OD2 2.92Å; R438-D471 PolarHBondContact NH2-OD2 3.23Å; R438-L602 HydrophobicContact CB-CD2 3.83Å
439	L	92.5	Very high	86.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-41.3	174.9	-173.3	66.1	0	0	0	111.8	P435 A436 W442 L443 A479 L481 T492 V496 I581 L602	P435-L439 WeakPolarHBondContact O-CB 3.21Å; P435-L439 PolarHBondContact O-N 2.97Å; A436-L439 PolarHBondContact O-N 3.37Å; L439-W442 HydrophobicContact CD1-CE3 3.9Å; L439-W442 HydrophobicContact CD1-CZ3 4.22Å; L439-W442 PolarHBondContact O-N 3.23Å; L439-L443 WeakPolarHBondContact O-CB 3.15Å; L439-L443 PolarHBondContact O-N 2.78Å; L439-A479 HydrophobicContact CD1-CB 3.91Å; L439-L481 HydrophobicContact CD1-CD2 4.25Å; L439-L481 HydrophobicContact CD2-CD1 4.12Å; L439-L481 HydrophobicContact CD2-CD2 3.95Å; L439-T492 HydrophobicContact CD2-CG2 4.49Å; L439-V496 HydrophobicContact CB-CG2 4.43Å; L439-V496 HydrophobicContact CD2-CB 4.13Å; L439-V496 HydrophobicContact CD2-CG1 4.33Å; L439-V496 HydrophobicContact CD2-CG2 4.09Å; L439-V496 HydrophobicContact CG-CB 4.41Å; L439-V496 HydrophobicContact CG-CG1 4.09Å; L439-V496 HydrophobicContact CG-CG2 4.37Å; L439-I581 HydrophobicContact CD1-CD1 4.23Å; L439-I581 HydrophobicContact CD1-CG1 4.49Å; L439-I581 HydrophobicContact CD2-CD1 4.45Å; L439-L602 HydrophobicContact CB-CD1 3.88Å; L439-L602 HydrophobicContact CD1-CD1 3.92Å; L439-L602 HydrophobicContact CG-CD1 4.47Å
440	L	91.4	Very high	85.7	Confident	23 Å²	23	40.7 Å²	40.7	12%	0.12	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-46.1	176.4	-175.5	69.7	0	0	0	112.3	I423 A436 N437 S444 V496 L500	I423-L440 HydrophobicContact CD1-CD1 4.2Å; I423-L440 HydrophobicContact CD1-CD2 4.27Å; A436-L440 WeakPolarHBondContact O-CB 3.41Å; A436-L440 PolarHBondContact O-N 2.97Å; N437-L440 PolarHBondContact O-N 2.84Å; L440-S444 WeakPolarHBondContact O-CB 3.38Å; L440-S444 PolarHBondContact O-N 3.5Å; L440-S444 PolarHBondContact O-OG 2.96Å; L440-V496 HydrophobicContact CB-CG1 4.31Å; L440-V496 HydrophobicContact CB-CG2 4.29Å; L440-V496 HydrophobicContact CD1-CG1 4.07Å; L440-L500 HydrophobicContact CD1-CD1 4.02Å; L440-L500 HydrophobicContact CD1-CD2 3.79Å; L440-L500 HydrophobicContact CD1-CG 3.73Å
441	N	89.8	Confident	84.8	Confident	95 Å²	95	39.8 Å²	39.8	51%	0.508	25%	0.245	S	C	.	.	H	α-helix	trans	-66.3	-39.3	177.7	-68.4	-4.8	0	0	0	111.8	N437 R438 S444 S445	N437-N441 WeakPolarHBondContact O-CB 3.46Å; N437-N441 PolarHBondContact O-N 3.16Å; N437-N441 PolarHBondContact O-OD1 2.98Å; R438-N441 PolarHBondContact O-N 2.77Å; N441-S444 PolarHBondContact O-OG 3.09Å; N441-S445 WeakPolarHBondContact O-CB 3.45Å; N441-S445 PolarHBondContact O-N 3.28Å; N441-S445 PolarHBondContact O-OG 3.32Å
442	W	90.4	Very high	83.5	Confident	3 Å²	3	41 Å²	41	1%	0.011	25%	0.25	C	C	.	.	H	α-helix	trans	-65.8	-51.7	176.4	175.4	77.7	0	0	0	111.4	R438 L439 S444 S445 W446 G473 A476 R477 A478 A479 P579 I581 L600	R438-W442 WeakPolarHBondContact O-CB 3.45Å; R438-W442 PolarHBondContact O-N 3.2Å; L439-W442 HydrophobicContact CD1-CE3 3.9Å; L439-W442 HydrophobicContact CD1-CZ3 4.22Å; L439-W442 PolarHBondContact O-N 3.23Å; W442-S444 PolarHBondContact O-N 3.3Å; W442-S445 PolarHBondContact O-N 3.38Å; W442-S445 PolarHBondContact O-OG 2.96Å; W442-W446 AromaticContact CE2-CD1 3.7Å; W442-W446 AromaticContact CH2-CD1 3.79Å; W442-W446 AromaticContact CH2-NE1 3.99Å; W442-W446 AromaticContact CZ2-CD1 3.43Å; W442-W446 VanDerWaalsContact CZ2-CD1 3.43Å; W442-W446 AromaticContact CZ2-NE1 3.67Å; W442-W446 WeakPolarHBondContact O-CB 3.45Å; W442-W446 PolarHBondContact O-N 3.36Å; W442-G473 PolarHBondContact NE1-O 2.61Å; W442-A476 PolarHBondContact NE1-O 3.04Å; W442-R477 WeakPolarHBondContact CZ2-O 3.46Å; W442-A478 VanDerWaalsContact CZ2-C 3.47Å; W442-A479 HydrophobicContact CD2-CB 4.41Å; W442-A479 HydrophobicContact CE3-CB 4.05Å; W442-A479 HydrophobicContact CH2-CB 3.82Å; W442-A479 HydrophobicContact CZ2-CB 4.19Å; W442-A479 HydrophobicContact CZ3-CB 3.75Å; W442-P579 HydrophobicContact CH2-CB 4.14Å; W442-P579 HydrophobicContact CZ3-CB 4.41Å; W442-I581 HydrophobicContact CZ3-CG1 4.22Å; W442-L600 HydrophobicContact CB-CD2 3.9Å; W442-L600 HydrophobicContact CD2-CD2 4.25Å; W442-L600 HydrophobicContact CG-CD2 3.68Å
443	L	90.1	Very high	82.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.9	-36.1	-177	-172.8	58.8	0	0	0	112.5	L439 W446 V496 L500 Y502 V548 P579	L439-L443 WeakPolarHBondContact O-CB 3.15Å; L439-L443 PolarHBondContact O-N 2.78Å; L443-W446 WeakPolarHBondContact O-CB 3.34Å; L443-W446 PolarHBondContact O-N 2.88Å; L443-V496 HydrophobicContact CB-CG1 4.37Å; L443-V496 HydrophobicContact CD2-CG1 4.05Å; L443-L500 HydrophobicContact CB-CD1 3.84Å; L443-L500 HydrophobicContact CD2-CD1 4Å; L443-L500 HydrophobicContact CG-CD1 3.83Å; L443-Y502 HydrophobicContact CD1-CD1 4.15Å; L443-Y502 HydrophobicContact CD1-CE1 3.86Å; L443-Y502 HydrophobicContact CD2-CD1 4.29Å; L443-Y502 HydrophobicContact CG-CD1 4.25Å; L443-Y502 HydrophobicContact CG-CE1 4.02Å; L443-Y502 PolarHBondContact O-OH 3.38Å; L443-V548 HydrophobicContact CD1-CG2 4.19Å; L443-V548 HydrophobicContact CD2-CG2 4.09Å; L443-P579 HydrophobicContact CD1-CB 3.71Å; L443-P579 HydrophobicContact CD1-CG 3.67Å
444	S	88.1	Confident	81.3	Confident	61 Å²	61	39.1 Å²	39.1	43%	0.427	24%	0.242	S	C	.	.	H	α-helix	trans	-69.6	-28.8	175.4	54.2	0	0	0	0	114	L440 N441 W442	L440-S444 WeakPolarHBondContact O-CB 3.38Å; L440-S444 PolarHBondContact O-N 3.5Å; L440-S444 PolarHBondContact O-OG 2.96Å; N441-S444 PolarHBondContact O-OG 3.09Å; W442-S444 PolarHBondContact O-N 3.3Å
445	S	85.3	Confident	79.9	Confident	25 Å²	25	41.7 Å²	41.7	18%	0.175	25%	0.252	C	S	.	.	H	α-helix	trans	-88.8	-21	174.5	55.5	0	0	0	0	113.9	N441 W442 H447 S448 D449	N441-S445 WeakPolarHBondContact O-CB 3.45Å; N441-S445 PolarHBondContact O-N 3.28Å; N441-S445 PolarHBondContact O-OG 3.32Å; W442-S445 PolarHBondContact O-N 3.38Å; W442-S445 PolarHBondContact O-OG 2.96Å; S445-H447 VanDerWaalsContact C-N 3.34Å; S445-H447 PolarHBondContact O-N 3.42Å; S445-S448 PolarHBondContact O-N 3.04Å; S445-S448 PolarHBondContact O-OG 3.11Å; S445-D449 PolarHBondContact O-N 2.95Å; S445-D449 VanDerWaalsContact O-N 3.08Å
446	W	86.9	Confident	78.1	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-47.4	-50.2	-174.9	-164.5	100.2	0	0	0	113.5	W442 L443 S448 D449 F450 R477 Q577 L578 P579	W442-W446 AromaticContact CE2-CD1 3.7Å; W442-W446 AromaticContact CH2-CD1 3.79Å; W442-W446 AromaticContact CH2-NE1 3.99Å; W442-W446 AromaticContact CZ2-CD1 3.43Å; W442-W446 VanDerWaalsContact CZ2-CD1 3.43Å; W442-W446 AromaticContact CZ2-NE1 3.67Å; W442-W446 WeakPolarHBondContact O-CB 3.45Å; W442-W446 PolarHBondContact O-N 3.36Å; L443-W446 WeakPolarHBondContact O-CB 3.34Å; L443-W446 PolarHBondContact O-N 2.88Å; W446-S448 VanDerWaalsContact C-N 3.35Å; W446-S448 PolarHBondContact O-N 3.24Å; W446-D449 PolarHBondContact O-N 2.94Å; W446-F450 AromaticContact CD1-CD2 3.86Å; W446-F450 AromaticContact CD1-CE2 3.87Å; W446-F450 AromaticContact CD2-CD2 3.67Å; W446-F450 HydrophobicContact CD2-CD2 3.67Å; W446-F450 HydrophobicContact CD2-CE2 4.43Å; W446-F450 AromaticContact CE2-CD2 3.51Å; W446-F450 HydrophobicContact CE3-CB 4.33Å; W446-F450 HydrophobicContact CE3-CD2 4.28Å; W446-F450 AromaticContact CG-CD2 3.87Å; W446-F450 HydrophobicContact CG-CD2 3.87Å; W446-F450 HydrophobicContact CG-CE2 4.28Å; W446-F450 HydrophobicContact CH2-CB 4.08Å; W446-F450 HydrophobicContact CH2-CD2 4.48Å; W446-F450 HydrophobicContact CZ2-CB 4.35Å; W446-F450 AromaticContact CZ2-CD2 3.95Å; W446-F450 HydrophobicContact CZ2-CD2 3.95Å; W446-F450 HydrophobicContact CZ2-CG 4.3Å; W446-F450 HydrophobicContact CZ3-CB 4.09Å; W446-F450 AromaticContact NE1-CD2 3.68Å; W446-F450 AromaticContact NE1-CE2 3.76Å; W446-F450 WeakPolarHBondContact O-CD2 3.43Å; W446-F450 PolarHBondContact O-N 3.38Å; W446-R477 HydrophobicContact CZ2-CB 4.43Å; W446-R477 PolarHBondContact NE1-O 3.09Å; W446-Q577 WeakPolarHBondContact CH2-O 3.49Å; W446-L578 VanDerWaalsContact CZ2-C 3.46Å; W446-P579 HydrophobicContact CD2-CB 3.86Å; W446-P579 HydrophobicContact CD2-CG 4.23Å; W446-P579 HydrophobicContact CE3-CB 4.49Å; W446-P579 HydrophobicContact CE3-CG 4.4Å; W446-P579 HydrophobicContact CG-CB 4.01Å; W446-P579 HydrophobicContact CZ2-CB 4.29Å
447	H	80.7	Confident	76.3	Confident	35 Å²	35	52.4 Å²	52.4	16%	0.162	31%	0.308	C	S	.	.	H	α-helix	trans	-68.8	-30.1	-178.3	-84.3	-74	0	0	0	113.6	S445 S451 Y502 H546	S445-H447 VanDerWaalsContact C-N 3.34Å; S445-H447 PolarHBondContact O-N 3.42Å; H447-S451 WeakPolarHBondContact CA-OG 3.23Å; H447-S451 PolarHBondContact ND1-OG 3.02Å; H447-S451 VanDerWaalsContact ND1-OG 3.08Å; H447-S451 WeakPolarHBondContact O-CB 3.45Å; H447-S451 PolarHBondContact O-N 2.72Å; H447-S451 PolarHBondContact O-OG 3.26Å; H447-Y502 AromaticContact CD2-CE1 3.66Å; H447-Y502 AromaticContact CD2-CZ 3.92Å; H447-Y502 PolarHBondContact CD2-OH 3.48Å; H447-Y502 AromaticContact NE2-CE1 3.85Å; H447-H546 AromaticContact CD2-CE1 3.74Å; H447-H546 AromaticContact CD2-CG 3.99Å; H447-H546 AromaticContact CD2-ND1 3.11Å; H447-H546 PolarHBondContact CD2-ND1 3.36Å; H447-H546 AromaticContact CE1-ND1 3.37Å; H447-H546 PolarHBondContact CE1-ND1 3.05Å; H447-H546 AromaticContact CG-CE1 3.64Å; H447-H546 AromaticContact CG-ND1 3.42Å; H447-H546 AromaticContact ND1-CE1 3.9Å; H447-H546 AromaticContact ND1-ND1 3.57Å; H447-H546 AromaticContact NE2-CG 3.87Å; H447-H546 AromaticContact NE2-ND1 3.06Å; H447-H546 PolarHBondContact NE2-ND1 2.72Å
448	S	79.4	Confident	74.5	Confident	79 Å²	79	51.1 Å²	51.1	55%	0.552	30%	0.303	S	S	*	.	H	α-helix	trans	-72.7	-35.9	174	67.2	0	0	0	0	112.5	S445 W446 A452	S445-S448 PolarHBondContact O-N 3.04Å; S445-S448 PolarHBondContact O-OG 3.11Å; W446-S448 VanDerWaalsContact C-N 3.35Å; W446-S448 PolarHBondContact O-N 3.24Å; S448-A452 WeakPolarHBondContact O-CB 3.44Å
449	D	75.6	Confident	72.9	Confident	22 Å²	22	51.6 Å²	51.6	12%	0.118	31%	0.305	C	S	.	.	H	α-helix	trans	-77	-35.9	-178.7	-99.9	-22	0	0	0	113.7	S445 W446 K455 K474	S445-D449 PolarHBondContact O-N 2.95Å; S445-D449 VanDerWaalsContact O-N 3.08Å; W446-D449 PolarHBondContact O-N 2.94Å; D449-K455 HydrophobicContact CB-CD 4.3Å; D449-K455 WeakPolarHBondContact OD1-CE 3.24Å; D449-K455 IonicContact OD1-NZ 2.73Å; D449-K455 PolarHBondContact OD1-NZ 3.37Å; D449-K455 IonicContact OD2-NZ 2.89Å; D449-K455 PolarHBondContact OD2-NZ 3.16Å; D449-K474 WeakPolarHBondContact OD2-CB 3.41Å; D449-K474 WeakPolarHBondContact OD2-CG 3.46Å
450	F	74.3	Confident	70.9	Confident	15 Å²	15	56.6 Å²	56.6	7%	0.066	34%	0.341	C	S	.	.	H	α-helix	trans	-103.5	-40.8	-174.8	-64.5	-65	0	0	0	114.2	W446 A452 G453 K455 A458 R477	W446-F450 AromaticContact CD1-CD2 3.86Å; W446-F450 AromaticContact CD1-CE2 3.87Å; W446-F450 AromaticContact CD2-CD2 3.67Å; W446-F450 HydrophobicContact CD2-CD2 3.67Å; W446-F450 HydrophobicContact CD2-CE2 4.43Å; W446-F450 AromaticContact CE2-CD2 3.51Å; W446-F450 HydrophobicContact CE3-CB 4.33Å; W446-F450 HydrophobicContact CE3-CD2 4.28Å; W446-F450 AromaticContact CG-CD2 3.87Å; W446-F450 HydrophobicContact CG-CD2 3.87Å; W446-F450 HydrophobicContact CG-CE2 4.28Å; W446-F450 HydrophobicContact CH2-CB 4.08Å; W446-F450 HydrophobicContact CH2-CD2 4.48Å; W446-F450 HydrophobicContact CZ2-CB 4.35Å; W446-F450 AromaticContact CZ2-CD2 3.95Å; W446-F450 HydrophobicContact CZ2-CD2 3.95Å; W446-F450 HydrophobicContact CZ2-CG 4.3Å; W446-F450 HydrophobicContact CZ3-CB 4.09Å; W446-F450 AromaticContact NE1-CD2 3.68Å; W446-F450 AromaticContact NE1-CE2 3.76Å; W446-F450 WeakPolarHBondContact O-CD2 3.43Å; W446-F450 PolarHBondContact O-N 3.38Å; F450-A452 VanDerWaalsContact C-N 3.28Å; F450-A452 PolarHBondContact O-N 3.02Å; F450-G453 PolarHBondContact O-N 3.29Å; F450-K455 HydrophobicContact CD1-CB 4.44Å; F450-K455 HydrophobicContact CE1-CB 4.35Å; F450-A458 HydrophobicContact CE1-CB 4Å; F450-R477 HydrophobicContact CD1-CG 3.99Å; F450-R477 HydrophobicContact CE1-CG 3.65Å; F450-R477 HydrophobicContact CE2-CG 4.3Å; F450-R477 HydrophobicContact CG-CG 4.47Å; F450-R477 HydrophobicContact CZ-CB 4.49Å; F450-R477 HydrophobicContact CZ-CG 3.82Å
451	S	63.8	Low	68.7	Low	78 Å²	78	60.6 Å²	60.6	55%	0.545	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-25.5	-176.9	-31.4	0	0	0	0	112.9	H447 G453	H447-S451 WeakPolarHBondContact CA-OG 3.23Å; H447-S451 PolarHBondContact ND1-OG 3.02Å; H447-S451 VanDerWaalsContact ND1-OG 3.08Å; H447-S451 WeakPolarHBondContact O-CB 3.45Å; H447-S451 PolarHBondContact O-N 2.72Å; H447-S451 PolarHBondContact O-OG 3.26Å; S451-G453 PolarHBondContact O-N 3.01Å
452	A	56.1	Low	66.6	Low	65 Å²	65	58.4 Å²	58.4	54%	0.537	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	3.3	177.6	0	0	0	0	0	114	S448 F450 L454	S448-A452 WeakPolarHBondContact O-CB 3.44Å; F450-A452 VanDerWaalsContact C-N 3.28Å; F450-A452 PolarHBondContact O-N 3.02Å; A452-L454 HydrophobicContact CB-CD1 3.92Å; A452-L454 HydrophobicContact CB-CG 4.15Å; A452-L454 PolarHBondContact O-N 3.25Å
453	G	59	Low	64.8	Low	45 Å²	45	62.7 Å²	62.7	46%	0.464	39%	0.393	S	S	.	.	S	Bend	trans	71.7	-18.5	179.1	0	0	0	0	0	115.8	F450 S451 K455 A456	F450-G453 PolarHBondContact O-N 3.29Å; S451-G453 PolarHBondContact O-N 3.01Å; G453-K455 PolarHBondContact O-N 3.26Å; G453-A456 PolarHBondContact O-N 2.86Å; G453-A456 VanDerWaalsContact O-N 3.11Å
454	L	54	Low	63	Low	143 Å²	143	66.8 Å²	66.8	75%	0.749	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46	-31.3	-177.9	-70.9	167	0	0	0	114.5	A452	A452-L454 HydrophobicContact CB-CD1 3.92Å; A452-L454 HydrophobicContact CB-CG 4.15Å; A452-L454 PolarHBondContact O-N 3.25Å
455	K	57.4	Low	61.4	Low	64 Å²	64	74.8 Å²	74.8	28%	0.278	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	33.5	-176	-63.9	177.2	178.7	171.7	0	114.2	D449 F450 G453 K457 A458 K474	D449-K455 HydrophobicContact CB-CD 4.3Å; D449-K455 WeakPolarHBondContact OD1-CE 3.24Å; D449-K455 IonicContact OD1-NZ 2.73Å; D449-K455 PolarHBondContact OD1-NZ 3.37Å; D449-K455 IonicContact OD2-NZ 2.89Å; D449-K455 PolarHBondContact OD2-NZ 3.16Å; F450-K455 HydrophobicContact CD1-CB 4.44Å; F450-K455 HydrophobicContact CE1-CB 4.35Å; G453-K455 PolarHBondContact O-N 3.26Å; K455-K457 PolarHBondContact O-N 2.89Å; K455-A458 HydrophobicContact CB-CB 4.38Å; K455-A458 PolarHBondContact O-N 2.82Å; K455-K474 WeakPolarHBondContact CD-O 3.19Å; K455-K474 PolarHBondContact NZ-O 2.71Å; K455-K474 VanDerWaalsContact NZ-O 3.16Å
456	A	52.4	Low	59.7	Low	65 Å²	65	76 Å²	76	54%	0.537	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-27.8	178.7	0	0	0	0	0	114.7	G453 R477	G453-A456 PolarHBondContact O-N 2.86Å; G453-A456 VanDerWaalsContact O-N 3.11Å; A456-R477 PolarHBondContact O-NH2 3.32Å; A456-R477 VanDerWaalsContact O-NH2 3.14Å
457	K	53.3	Low	57.5	Low	180 Å²	180	82.4 Å²	82.4	78%	0.783	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	34.5	-179.9	-62.1	-178.8	179.3	175	0	114.6	K455 Y459	K455-K457 PolarHBondContact O-N 2.89Å; K457-Y459 PolarHBondContact O-N 2.8Å
458	A	54.3	Low	55.4	Low	11 Å²	11	84.7 Å²	84.7	9%	0.091	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-53.1	-27.2	-171.7	0	0	0	0	0	116.7	F450 K455 S460 W475	F450-A458 HydrophobicContact CE1-CB 4Å; K455-A458 HydrophobicContact CB-CB 4.38Å; K455-A458 PolarHBondContact O-N 2.82Å; A458-S460 PolarHBondContact O-N 2.97Å; A458-W475 VanDerWaalsContact CB-O 3.24Å; A458-W475 WeakPolarHBondContact CB-O 3.16Å
459	Y	57.1	Low	53.8	Low	70 Å²	70	86.7 Å²	86.7	28%	0.275	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-68.1	12.1	-177.8	-56.6	-72.7	0	0	0	116.7	K457 R477 I573 K574 Y598	K457-Y459 PolarHBondContact O-N 2.8Å; Y459-R477 WeakPolarHBondContact OH-CB 3.28Å; Y459-R477 WeakPolarHBondContact OH-CD 3.45Å; Y459-R477 WeakPolarHBondContact OH-CG 3.29Å; Y459-I573 HydrophobicContact CE1-CG2 4.46Å; Y459-I573 WeakPolarHBondContact OH-CG2 3.49Å; Y459-I573 PolarHBondContact OH-O 3.27Å; Y459-K574 HydrophobicContact CE2-CB 4.4Å; Y459-K574 HydrophobicContact CE2-CG 4.21Å; Y459-Y598 AromaticContact CD1-CD1 4Å; Y459-Y598 HydrophobicContact CD1-CD1 4Å; Y459-Y598 HydrophobicContact CE1-CD1 4.18Å
460	S	49.8	Very low	52.8	Low	106 Å²	106	88.6 Å²	88.6	74%	0.741	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-122.4	2.6	-173.8	-61.8	0	0	0	0	115.4	A458	A458-S460 PolarHBondContact O-N 2.97Å
461	S	44.8	Very low	52.2	Low	107 Å²	107	90.6 Å²	90.6	75%	0.748	56%	0.56	S	S	*	*	S	Bend	trans	-128.8	-1.3	-162.2	-57.5	0	0	0	0	117.3
462	A	46.7	Very low	52.3	Low	48 Å²	48	90.5 Å²	90.5	40%	0.397	55%	0.554	S	S	.	*			trans	-147.2	112.6	174.5	0	0	0	0	0	111.9	W475	A462-W475 HydrophobicContact CB-CG 4.39Å
463	P	51.1	Low	53.2	Low	93 Å²	93	87.4 Å²	87.4	60%	0.604	53%	0.528	S	S	*	.			trans	-68.6	142.6	161.5	-15	30.3	0	0	0	109.8	W465 G466	P463-W465 PolarHBondContact O-N 3.36Å; P463-G466 PolarHBondContact O-N 3.28Å
464	P	53.2	Low	53.8	Low	87 Å²	87	89.6 Å²	89.6	57%	0.565	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	28.6	179.8	31.8	-37.5	0	0	0	114.2
465	W	54.4	Low	54.9	Low	228 Å²	228	85.1 Å²	85.1	86%	0.864	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	-0.9	-178	-48.1	86.2	0	0	0	111.8	P463	P463-W465 PolarHBondContact O-N 3.36Å
466	G	49.6	Very low	56	Low	50 Å²	50	82 Å²	82	52%	0.515	49%	0.485	S	S	.	.			trans	-68.2	131.9	178.5	0	0	0	0	0	111.6	P463 S468	P463-G466 PolarHBondContact O-N 3.28Å; G466-S468 PolarHBondContact O-N 2.88Å
467	P	39.9	Very low	57.5	Low	139 Å²	139	80 Å²	80	90%	0.903	46%	0.463	S	S	*	.			trans	-77.5	29.5	-171.1	32.9	-38	0	0	0	114.5	S469	P467-S469 PolarHBondContact O-N 3.27Å
468	S	36.9	Very low	59.3	Low	84 Å²	84	71.4 Å²	71.4	59%	0.587	43%	0.426	S	S	*	.			trans	-80.9	106.5	172.3	-169.7	0	0	0	0	109.2	G466 S470	G466-S468 PolarHBondContact O-N 2.88Å; S468-S470 PolarHBondContact O-N 3.16Å
469	S	45.5	Very low	61.1	Low	120 Å²	120	70.9 Å²	70.9	84%	0.839	42%	0.421	S	S	*	.	S	Bend	trans	-71.5	6.8	-176.5	49.6	0	0	0	0	114.8	P467	P467-S469 PolarHBondContact O-N 3.27Å
470	S	55.4	Low	62.8	Low	63 Å²	63	67.5 Å²	67.5	44%	0.441	41%	0.408	S	S	.	.			trans	-127.5	69.4	173.5	59.6	0	0	0	0	110	S468 D472	S468-S470 PolarHBondContact O-N 3.16Å; S470-D472 VanDerWaalsContact C-N 3.32Å; S470-D472 PolarHBondContact O-N 3.45Å
471	D	61.8	Low	65	Low	56 Å²	56	62.5 Å²	62.5	30%	0.299	37%	0.373	S	S	.	.			trans	-70.1	90.3	170.5	170.5	36	0	0	0	109.8	R438 G473 W475 L600	R438-D471 PolarHBondContact NH2-O 2.71Å; R438-D471 IonicContact NH2-OD2 2.92Å; R438-D471 PolarHBondContact NH2-OD2 3.23Å; D471-G473 PolarHBondContact O-N 3.01Å; D471-G473 PolarHBondContact OD1-N 2.68Å; D471-G473 VanDerWaalsContact OD1-N 3.12Å; D471-W475 PolarHBondContact OD1-NE1 2.88Å; D471-L600 WeakPolarHBondContact OD2-CD1 3.24Å
472	D	66.1	Low	67.3	Low	77 Å²	77	57.5 Å²	57.5	41%	0.412	34%	0.338	S	S	.	.			trans	-68.3	-3.8	175.1	-65.7	-26.9	0	0	0	113	S470 K474	S470-D472 VanDerWaalsContact C-N 3.32Å; S470-D472 PolarHBondContact O-N 3.45Å; D472-K474 HydrophobicContact CB-CD 3.71Å; D472-K474 HydrophobicContact CB-CG 3.61Å; D472-K474 PolarHBondContact O-N 2.94Å; D472-K474 VanDerWaalsContact O-N 3.13Å; D472-K474 WeakPolarHBondContact OD2-CE 3.31Å; D472-K474 IonicContact OD2-NZ 2.66Å; D472-K474 PolarHBondContact OD2-NZ 3.01Å
473	G	73.5	Confident	69.4	Low	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.325	C	S	.	.			trans	69.3	5.7	-179.6	0	0	0	0	0	115.9	W442 D471 W475 A476	W442-G473 PolarHBondContact NE1-O 2.61Å; D471-G473 PolarHBondContact O-N 3.01Å; D471-G473 PolarHBondContact OD1-N 2.68Å; D471-G473 VanDerWaalsContact OD1-N 3.12Å; G473-W475 PolarHBondContact O-N 2.91Å; G473-A476 PolarHBondContact O-N 2.73Å
474	K	72.4	Confident	71.2	Confident	91 Å²	91	53 Å²	53	40%	0.396	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	6.6	-179.2	-65.5	179.5	173.6	153.4	0	116.5	D449 K455 D472	D449-K474 WeakPolarHBondContact OD2-CB 3.41Å; D449-K474 WeakPolarHBondContact OD2-CG 3.46Å; K455-K474 WeakPolarHBondContact CD-O 3.19Å; K455-K474 PolarHBondContact NZ-O 2.71Å; K455-K474 VanDerWaalsContact NZ-O 3.16Å; D472-K474 HydrophobicContact CB-CD 3.71Å; D472-K474 HydrophobicContact CB-CG 3.61Å; D472-K474 PolarHBondContact O-N 2.94Å; D472-K474 VanDerWaalsContact O-N 3.13Å; D472-K474 WeakPolarHBondContact OD2-CE 3.31Å; D472-K474 IonicContact OD2-NZ 2.66Å; D472-K474 PolarHBondContact OD2-NZ 3.01Å
475	W	76.7	Confident	73	Confident	48 Å²	48	51.7 Å²	51.7	18%	0.182	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-18.5	178.5	61.6	-88.3	0	0	0	112.5	A458 A462 D471 G473 C599	A458-W475 VanDerWaalsContact CB-O 3.24Å; A458-W475 WeakPolarHBondContact CB-O 3.16Å; A462-W475 HydrophobicContact CB-CG 4.39Å; D471-W475 PolarHBondContact OD1-NE1 2.88Å; G473-W475 PolarHBondContact O-N 2.91Å; W475-C599 WeakPolarHBondContact CH2-O 3.37Å
476	A	80.7	Confident	74.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	27%	0.265	C	S	.	.			trans	-105.8	125.4	-176.1	0	0	0	0	0	110.8	W442 G473 A478 L600	W442-A476 PolarHBondContact NE1-O 3.04Å; G473-A476 PolarHBondContact O-N 2.73Å; A476-A478 VanDerWaalsContact C-N 3.28Å; A476-L600 HydrophobicContact CB-CB 4.24Å
477	R	84.1	Confident	76.8	Confident	21 Å²	21	39.5 Å²	39.5	8%	0.079	24%	0.242	C	C	.	.	S	Bend	trans	-75.1	-18.1	173.2	-64	-167.1	-167.4	163.3	12.7	113.4	W442 W446 F450 A456 Y459 K574 T576	W442-R477 WeakPolarHBondContact CZ2-O 3.46Å; W446-R477 HydrophobicContact CZ2-CB 4.43Å; W446-R477 PolarHBondContact NE1-O 3.09Å; F450-R477 HydrophobicContact CD1-CG 3.99Å; F450-R477 HydrophobicContact CE1-CG 3.65Å; F450-R477 HydrophobicContact CE2-CG 4.3Å; F450-R477 HydrophobicContact CG-CG 4.47Å; F450-R477 HydrophobicContact CZ-CB 4.49Å; F450-R477 HydrophobicContact CZ-CG 3.82Å; A456-R477 PolarHBondContact O-NH2 3.32Å; A456-R477 VanDerWaalsContact O-NH2 3.14Å; Y459-R477 WeakPolarHBondContact OH-CB 3.28Å; Y459-R477 WeakPolarHBondContact OH-CD 3.45Å; Y459-R477 WeakPolarHBondContact OH-CG 3.29Å; R477-K574 PolarHBondContact NH1-O 2.9Å; R477-T576 PolarHBondContact NH1-O 2.93Å; R477-T576 VanDerWaalsContact NH1-O 3.1Å
478	A	90.3	Very high	79.2	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	155.2	178.8	0	0	0	0	0	111.8	W442 A476 I573 I580 C599 L600	W442-A478 VanDerWaalsContact CZ2-C 3.47Å; A476-A478 VanDerWaalsContact C-N 3.28Å; A478-I573 HydrophobicContact CB-CD1 4.07Å; A478-I573 HydrophobicContact CB-CG1 4Å; A478-I573 HydrophobicContact CB-CG2 4.01Å; A478-I580 CarbonylContact C-O 3.54Å; A478-I580 WeakPolarHBondContact CA-O 3.47Å; A478-I580 HydrophobicContact CB-CB 4.01Å; A478-I580 WeakPolarHBondContact CB-O 3.37Å; A478-C599 HydrophobicContact CB-CB 4.45Å; A478-C599 CarbonylContact O-C 3.51Å; A478-C599 VanDerWaalsContact O-CA 3.23Å; A478-C599 WeakPolarHBondContact O-CA 3.19Å; A478-L600 PolarHBondContact O-N 3.26Å
479	A	92.8	Very high	81.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	151.1	171.4	0	0	0	0	0	110.8	L439 W442 I580 C582 L600 L602	L439-A479 HydrophobicContact CD1-CB 3.91Å; W442-A479 HydrophobicContact CD2-CB 4.41Å; W442-A479 HydrophobicContact CE3-CB 4.05Å; W442-A479 HydrophobicContact CH2-CB 3.82Å; W442-A479 HydrophobicContact CZ2-CB 4.19Å; W442-A479 HydrophobicContact CZ3-CB 3.75Å; A479-I580 PolarHBondContact N-O 3.19Å; A479-C582 PolarHBondContact O-N 3Å; A479-L600 HydrophobicContact CB-CB 4.29Å; A479-L602 HydrophobicContact CB-CD1 4.46Å
480	L	93.3	Very high	84.2	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	104.6	176.9	178.4	64.6	0	0	0	109.4	C582 I592 L595 A596 C599 L600 L602	L480-C582 CarbonylContact C-O 3.59Å; L480-C582 WeakPolarHBondContact CA-O 3.03Å; L480-C582 HydrophobicContact CD1-CB 3.93Å; L480-I592 HydrophobicContact CD2-CG2 3.84Å; L480-L595 HydrophobicContact CD1-CD2 4.39Å; L480-A596 HydrophobicContact CD2-CB 3.82Å; L480-C599 HydrophobicContact CB-CB 3.78Å; L480-L600 PolarHBondContact N-O 2.83Å; L480-L602 PolarHBondContact O-N 3.17Å
481	L	94.7	Very high	86	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	109.6	175.5	-52	174.3	0	0	0	108.7	L439 A493 I581 C582 M583 C584 L602 F604	L439-L481 HydrophobicContact CD1-CD2 4.25Å; L439-L481 HydrophobicContact CD2-CD1 4.12Å; L439-L481 HydrophobicContact CD2-CD2 3.95Å; L481-A493 HydrophobicContact CD1-CB 3.8Å; L481-I581 HydrophobicContact CD1-CG2 3.52Å; L481-I581 HydrophobicContact CG-CG2 3.91Å; L481-C582 PolarHBondContact N-O 3.35Å; L481-M583 HydrophobicContact CB-CB 4.48Å; L481-M583 HydrophobicContact CB-CG 4Å; L481-M583 HydrophobicContact CB-SD 4.5Å; L481-M583 HydrophobicContact CD1-CG 3.93Å; L481-M583 HydrophobicContact CD1-SD 3.73Å; L481-M583 HydrophobicContact CG-CG 4.3Å; L481-M583 WeakPolarHBondContact O-CA 3.17Å; L481-C584 PolarHBondContact O-N 3.17Å; L481-L602 HydrophobicContact CD2-CB 3.94Å; L481-L602 HydrophobicContact CD2-CD1 3.69Å; L481-L602 HydrophobicContact CD2-CG 4.44Å; L481-F604 HydrophobicContact CB-CE2 3.91Å; L481-F604 HydrophobicContact CD2-CE2 3.67Å; L481-F604 HydrophobicContact CD2-CZ 4.12Å; L481-F604 HydrophobicContact CG-CE2 4.3Å
482	S	93.1	Very high	87.5	Confident	2 Å²	2	21.7 Å²	21.7	1%	0.014	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	150.3	-175.4	70.1	0	0	0	0	113.1	C584 L602 R603 F604	S482-C584 WeakPolarHBondContact CB-SG 3.44Å; S482-L602 PolarHBondContact N-O 3.02Å; S482-R603 WeakPolarHBondContact O-CA 3.43Å; S482-F604 PolarHBondContact O-N 3.39Å
483	G	91.1	Very high	88.8	Confident	12 Å²	12	18 Å²	18	12%	0.124	11%	0.106	C	C	.	.	S	Bend	trans	142.4	176.8	178.1	0	0	0	0	0	112.7	K489 N585	G483-K489 PolarHBondContact O-NZ 3.44Å; G483-N585 CarbonylContact C-O 3.56Å; G483-N585 VanDerWaalsContact C-O 3.32Å; G483-N585 CarbonylContact O-C 3.52Å; G483-N585 WeakPolarHBondContact O-CA 3.43Å
484	P	90.4	Very high	89.8	Confident	34 Å²	34	19 Å²	19	22%	0.221	11%	0.111	C	C	.	.			trans	-47.4	160.1	-175.8	-30.1	33.8	0	0	0	116.7	I487 K489 R606	P484-I487 HydrophobicContact CB-CD1 4.06Å; P484-I487 HydrophobicContact CB-CG2 4.28Å; P484-I487 HydrophobicContact CG-CD1 4.27Å; P484-I487 WeakPolarHBondContact O-CD1 3.36Å; P484-I487 WeakPolarHBondContact O-CG1 3.33Å; P484-K489 PolarHBondContact O-NZ 3.09Å; P484-R606 HydrophobicContact CG-CG 4.3Å
485	P	90.8	Very high	90.8	Very high	60 Å²	60	15.2 Å²	15.2	39%	0.39	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	160.6	167.4	28.1	-36	0	0	0	111.6	I487	P485-I487 PolarHBondContact O-N 3.39Å
486	G	90.2	Very high	91.6	Very high	15 Å²	15	13 Å²	13	16%	0.155	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	-13.9	170.8	0	0	0	0	0	117.6	G488 D642	G486-G488 VanDerWaalsContact C-N 3.27Å; G486-G488 PolarHBondContact O-N 2.72Å; G486-D642 WeakPolarHBondContact CA-OD1 3.43Å
487	I	92.1	Very high	92.2	Very high	7 Å²	7	13 Å²	13	4%	0.036	9%	0.087	C	C	.	.	S	Bend	trans	-81.2	8.7	-175.3	69.4	-164.3	0	0	0	115.6	P484 P485 K489 F604	P484-I487 HydrophobicContact CB-CD1 4.06Å; P484-I487 HydrophobicContact CB-CG2 4.28Å; P484-I487 HydrophobicContact CG-CD1 4.27Å; P484-I487 WeakPolarHBondContact O-CD1 3.36Å; P484-I487 WeakPolarHBondContact O-CG1 3.33Å; P485-I487 PolarHBondContact O-N 3.39Å; I487-K489 HydrophobicContact CG1-CG 4.18Å; I487-F604 HydrophobicContact CD1-CB 3.38Å; I487-F604 HydrophobicContact CD1-CG 4.46Å; I487-F604 HydrophobicContact CG1-CB 3.96Å
488	G	92.2	Very high	92.4	Very high	21 Å²	21	16 Å²	16	22%	0.216	10%	0.1	C	C	.	.	S	Bend	trans	85.5	27.8	172.3	0	0	0	0	0	117.1	G486 T492	G486-G488 VanDerWaalsContact C-N 3.27Å; G486-G488 PolarHBondContact O-N 2.72Å; G488-T492 WeakPolarHBondContact O-CB 3.37Å; G488-T492 PolarHBondContact O-N 2.95Å; G488-T492 PolarHBondContact O-OG1 2.84Å
489	K	93.4	Very high	92.4	Very high	11 Å²	11	21.1 Å²	21.1	5%	0.048	12%	0.124	C	C	.	.	H	α-helix	trans	-54.3	-62.4	176.3	-60.5	-169.6	-63.8	-93.8	0	112.4	G483 P484 I487 S491 T492 A493 M583 C584 N585 F604	G483-K489 PolarHBondContact O-NZ 3.44Å; P484-K489 PolarHBondContact O-NZ 3.09Å; I487-K489 HydrophobicContact CG1-CG 4.18Å; K489-S491 VanDerWaalsContact C-N 3.34Å; K489-S491 PolarHBondContact O-N 3.25Å; K489-T492 WeakPolarHBondContact O-CA 3.29Å; K489-T492 WeakPolarHBondContact O-CB 3.5Å; K489-T492 PolarHBondContact O-N 3.37Å; K489-A493 PolarHBondContact O-N 2.79Å; K489-A493 VanDerWaalsContact O-N 3.09Å; K489-M583 HydrophobicContact CB-SD 4.2Å; K489-C584 WeakPolarHBondContact CE-O 3.3Å; K489-C584 PolarHBondContact NZ-O 2.8Å; K489-N585 PolarHBondContact NZ-OD1 3.22Å; K489-F604 HydrophobicContact CG-CD2 4.34Å; K489-F604 HydrophobicContact CG-CG 4.37Å
490	T	93	Very high	92.3	Very high	29 Å²	29	23.7 Å²	23.7	18%	0.178	14%	0.138	C	C	.	.	H	α-helix	trans	-54.1	-47.3	177.9	-34.9	0	0	0	0	111.6	T492 A493 I494 E506 D552 M583	T490-T492 VanDerWaalsContact C-N 3.27Å; T490-T492 PolarHBondContact O-N 3.25Å; T490-A493 PolarHBondContact O-N 3.41Å; T490-I494 HydrophobicContact CG2-CD1 4.12Å; T490-I494 WeakPolarHBondContact O-CG1 3.39Å; T490-I494 PolarHBondContact O-N 3.36Å; T490-E506 WeakPolarHBondContact CG2-OE1 3.2Å; T490-D552 WeakPolarHBondContact CG2-OD2 3.38Å; T490-D552 PolarHBondContact OG1-OD2 3.14Å; T490-M583 HydrophobicContact CG2-CE 3.83Å
491	S	92.8	Very high	91.9	Very high	27 Å²	27	26.3 Å²	26.3	19%	0.189	16%	0.164	C	C	.	.	H	α-helix	trans	-59.7	-35.2	176	-46.2	0	0	0	0	113	K489 L495	K489-S491 VanDerWaalsContact C-N 3.34Å; K489-S491 PolarHBondContact O-N 3.25Å; S491-L495 VanDerWaalsContact O-CB 3.26Å; S491-L495 WeakPolarHBondContact O-CB 3.42Å; S491-L495 WeakPolarHBondContact O-CG 3.43Å; S491-L495 PolarHBondContact O-N 3.44Å
492	T	94.1	Very high	91.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70.5	-42.7	177	-56.1	0	0	0	0	111.4	L426 A436 L439 G488 K489 T490 L495 V496 F604	L426-T492 HydrophobicContact CD1-CG2 4.05Å; A436-T492 HydrophobicContact CB-CG2 3.52Å; L439-T492 HydrophobicContact CD2-CG2 4.49Å; G488-T492 WeakPolarHBondContact O-CB 3.37Å; G488-T492 PolarHBondContact O-N 2.95Å; G488-T492 PolarHBondContact O-OG1 2.84Å; K489-T492 WeakPolarHBondContact O-CA 3.29Å; K489-T492 WeakPolarHBondContact O-CB 3.5Å; K489-T492 PolarHBondContact O-N 3.37Å; T490-T492 VanDerWaalsContact C-N 3.27Å; T490-T492 PolarHBondContact O-N 3.25Å; T492-L495 PolarHBondContact O-N 2.95Å; T492-V496 HydrophobicContact CG2-CG2 4.48Å; T492-V496 WeakPolarHBondContact O-CB 3.08Å; T492-V496 WeakPolarHBondContact O-CG2 3.26Å; T492-V496 PolarHBondContact O-N 3.05Å; T492-F604 HydrophobicContact CG2-CE1 4.17Å; T492-F604 HydrophobicContact CG2-CZ 3.96Å
493	A	94.1	Very high	91.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-51	176.9	0	0	0	0	0	111.6	L481 K489 T490 L495 V496 C497 I550 I581 M583	L481-A493 HydrophobicContact CD1-CB 3.8Å; K489-A493 PolarHBondContact O-N 2.79Å; K489-A493 VanDerWaalsContact O-N 3.09Å; T490-A493 PolarHBondContact O-N 3.41Å; A493-L495 PolarHBondContact O-N 3.33Å; A493-V496 PolarHBondContact O-N 3Å; A493-C497 PolarHBondContact O-N 2.85Å; A493-C497 VanDerWaalsContact O-N 3.1Å; A493-C497 PolarHBondContact O-SG 3.43Å; A493-I550 HydrophobicContact CB-CD1 4.21Å; A493-I581 HydrophobicContact CB-CG2 4.15Å; A493-M583 HydrophobicContact CB-CE 4.5Å; A493-M583 HydrophobicContact CB-SD 4.15Å
494	I	93.7	Very high	90.9	Very high	21 Å²	21	31.9 Å²	31.9	11%	0.108	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-45.5	179.1	-65.2	167	0	0	0	110.9	T490 V496 C497 K498 Y504	T490-I494 HydrophobicContact CG2-CD1 4.12Å; T490-I494 WeakPolarHBondContact O-CG1 3.39Å; T490-I494 PolarHBondContact O-N 3.36Å; I494-V496 PolarHBondContact O-N 3.01Å; I494-C497 PolarHBondContact O-N 3.41Å; I494-K498 HydrophobicContact CG2-CD 4.26Å; I494-K498 HydrophobicContact CG2-CG 4.42Å; I494-K498 WeakPolarHBondContact O-CB 3.34Å; I494-K498 WeakPolarHBondContact O-CG 3.21Å; I494-K498 PolarHBondContact O-N 3.35Å; I494-Y504 HydrophobicContact CG1-CE2 4.14Å; I494-Y504 HydrophobicContact CG2-CE1 4.22Å; I494-Y504 HydrophobicContact CG2-CE2 4.5Å
495	L	93.5	Very high	90.7	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.063	19%	0.188	C	C	.	.	H	α-helix	trans	-66.2	-35	179.9	-77.7	175.7	0	0	0	113.8	P420 T421 I423 L426 S491 T492 A493 Q499	P420-L495 HydrophobicContact CB-CD1 3.99Å; P420-L495 WeakPolarHBondContact O-CD1 3.45Å; T421-L495 WeakPolarHBondContact O-CD2 3.36Å; I423-L495 HydrophobicContact CG1-CB 4.09Å; L426-L495 HydrophobicContact CD1-CD1 4.04Å; L426-L495 HydrophobicContact CD2-CD1 3.93Å; L426-L495 HydrophobicContact CG-CD1 3.88Å; S491-L495 VanDerWaalsContact O-CB 3.26Å; S491-L495 WeakPolarHBondContact O-CB 3.42Å; S491-L495 WeakPolarHBondContact O-CG 3.43Å; S491-L495 PolarHBondContact O-N 3.44Å; T492-L495 PolarHBondContact O-N 2.95Å; A493-L495 PolarHBondContact O-N 3.33Å; L495-Q499 VanDerWaalsContact O-CB 3.27Å; L495-Q499 WeakPolarHBondContact O-CB 3.36Å; L495-Q499 PolarHBondContact O-N 3.34Å
496	V	93.4	Very high	90.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68	-41.4	174.9	167.7	0	0	0	0	110.9	I423 L439 L440 L443 T492 A493 I494 Q499 L500	I423-V496 HydrophobicContact CD1-CG2 3.67Å; L439-V496 HydrophobicContact CB-CG2 4.43Å; L439-V496 HydrophobicContact CD2-CB 4.13Å; L439-V496 HydrophobicContact CD2-CG1 4.33Å; L439-V496 HydrophobicContact CD2-CG2 4.09Å; L439-V496 HydrophobicContact CG-CB 4.41Å; L439-V496 HydrophobicContact CG-CG1 4.09Å; L439-V496 HydrophobicContact CG-CG2 4.37Å; L440-V496 HydrophobicContact CB-CG1 4.31Å; L440-V496 HydrophobicContact CB-CG2 4.29Å; L440-V496 HydrophobicContact CD1-CG1 4.07Å; L443-V496 HydrophobicContact CB-CG1 4.37Å; L443-V496 HydrophobicContact CD2-CG1 4.05Å; T492-V496 HydrophobicContact CG2-CG2 4.48Å; T492-V496 WeakPolarHBondContact O-CB 3.08Å; T492-V496 WeakPolarHBondContact O-CG2 3.26Å; T492-V496 PolarHBondContact O-N 3.05Å; A493-V496 PolarHBondContact O-N 3Å; I494-V496 PolarHBondContact O-N 3.01Å; V496-Q499 PolarHBondContact O-N 3.45Å; V496-L500 HydrophobicContact CG1-CD1 4.32Å; V496-L500 WeakPolarHBondContact O-CG 3.31Å; V496-L500 PolarHBondContact O-N 3.18Å
497	C	92	Very high	90.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-48.7	174.3	-60.7	0	0	0	0	111.3	A493 I494 Q499 L500 G501 Y502 Y504	A493-C497 PolarHBondContact O-N 2.85Å; A493-C497 VanDerWaalsContact O-N 3.1Å; A493-C497 PolarHBondContact O-SG 3.43Å; I494-C497 PolarHBondContact O-N 3.41Å; C497-Q499 PolarHBondContact O-N 2.98Å; C497-L500 PolarHBondContact O-N 2.95Å; C497-G501 PolarHBondContact O-N 2.7Å; C497-G501 VanDerWaalsContact O-N 3.08Å; C497-Y502 PolarHBondContact O-N 3.18Å; C497-Y504 HydrophobicContact CB-CD1 4.04Å; C497-Y504 HydrophobicContact CB-CG 4.45Å
498	K	90.3	Very high	90.1	Very high	85 Å²	85	35.9 Å²	35.9	37%	0.37	20%	0.198	S	C	.	.	H	α-helix	trans	-60.8	-42.3	177.3	-75	-168.2	170.5	-142.7	0	113.2	E361 I494 L500 G501 Y504	E361-K498 IonicContact OE1-NZ 2.6Å; E361-K498 PolarHBondContact OE1-NZ 2.79Å; E361-K498 IonicContact OE2-NZ 2.76Å; E361-K498 PolarHBondContact OE2-NZ 3.15Å; I494-K498 HydrophobicContact CG2-CD 4.26Å; I494-K498 HydrophobicContact CG2-CG 4.42Å; I494-K498 WeakPolarHBondContact O-CB 3.34Å; I494-K498 WeakPolarHBondContact O-CG 3.21Å; I494-K498 PolarHBondContact O-N 3.35Å; K498-L500 VanDerWaalsContact C-N 3.27Å; K498-L500 PolarHBondContact O-N 2.99Å; K498-G501 PolarHBondContact O-N 3.28Å; K498-Y504 HydrophobicContact CG-CE1 4.4Å
499	Q	90.3	Very high	89.4	Confident	108 Å²	108	34.9 Å²	34.9	51%	0.505	19%	0.188	S	C	.	.	H	α-helix	trans	-68.3	-25.7	-179.8	-168.7	176	-68.6	0	0	112.9	I423 L495 V496 C497	I423-Q499 HydrophobicContact CD1-CB 4.27Å; L495-Q499 VanDerWaalsContact O-CB 3.27Å; L495-Q499 WeakPolarHBondContact O-CB 3.36Å; L495-Q499 PolarHBondContact O-N 3.34Å; V496-Q499 PolarHBondContact O-N 3.45Å; C497-Q499 PolarHBondContact O-N 2.98Å
500	L	89.2	Confident	88.4	Confident	54 Å²	54	36 Å²	36	28%	0.283	20%	0.198	S	C	.	.	H	α-helix	trans	-92.4	-5.8	174.8	-65.2	177.2	0	0	0	113.7	L440 L443 V496 C497 K498 Y502	L440-L500 HydrophobicContact CD1-CD1 4.02Å; L440-L500 HydrophobicContact CD1-CD2 3.79Å; L440-L500 HydrophobicContact CD1-CG 3.73Å; L443-L500 HydrophobicContact CB-CD1 3.84Å; L443-L500 HydrophobicContact CD2-CD1 4Å; L443-L500 HydrophobicContact CG-CD1 3.83Å; V496-L500 HydrophobicContact CG1-CD1 4.32Å; V496-L500 WeakPolarHBondContact O-CG 3.31Å; V496-L500 PolarHBondContact O-N 3.18Å; C497-L500 PolarHBondContact O-N 2.95Å; K498-L500 VanDerWaalsContact C-N 3.27Å; K498-L500 PolarHBondContact O-N 2.99Å; L500-Y502 HydrophobicContact CB-CD2 3.48Å; L500-Y502 VanDerWaalsContact CB-CD2 3.48Å; L500-Y502 HydrophobicContact CB-CE2 3.67Å; L500-Y502 HydrophobicContact CB-CG 4.44Å; L500-Y502 HydrophobicContact CD1-CE2 4.38Å; L500-Y502 WeakPolarHBondContact O-CD2 3.21Å
501	G	85.2	Confident	87.4	Confident	54 Å²	54	40.7 Å²	40.7	56%	0.557	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.1	19.8	-176.8	0	0	0	0	0	114.7	C497 K498	C497-G501 PolarHBondContact O-N 2.7Å; C497-G501 VanDerWaalsContact O-N 3.08Å; K498-G501 PolarHBondContact O-N 3.28Å
502	Y	85.4	Confident	86.4	Confident	27 Å²	27	39.9 Å²	39.9	11%	0.106	22%	0.215	C	C	.	.			trans	-84.6	136.8	-178	-76	-133.9	0	0	0	110.2	L443 H447 C497 L500 H546 V548	L443-Y502 HydrophobicContact CD1-CD1 4.15Å; L443-Y502 HydrophobicContact CD1-CE1 3.86Å; L443-Y502 HydrophobicContact CD2-CD1 4.29Å; L443-Y502 HydrophobicContact CG-CD1 4.25Å; L443-Y502 HydrophobicContact CG-CE1 4.02Å; L443-Y502 PolarHBondContact O-OH 3.38Å; H447-Y502 AromaticContact CD2-CE1 3.66Å; H447-Y502 AromaticContact CD2-CZ 3.92Å; H447-Y502 PolarHBondContact CD2-OH 3.48Å; H447-Y502 AromaticContact NE2-CE1 3.85Å; C497-Y502 PolarHBondContact O-N 3.18Å; L500-Y502 HydrophobicContact CB-CD2 3.48Å; L500-Y502 VanDerWaalsContact CB-CD2 3.48Å; L500-Y502 HydrophobicContact CB-CE2 3.67Å; L500-Y502 HydrophobicContact CB-CG 4.44Å; L500-Y502 HydrophobicContact CD1-CE2 4.38Å; L500-Y502 WeakPolarHBondContact O-CD2 3.21Å; Y502-H546 WeakPolarHBondContact CA-O 3.48Å; Y502-H546 HydrophobicContact CD1-CB 3.47Å; Y502-H546 VanDerWaalsContact CD1-CB 3.47Å; Y502-H546 HydrophobicContact CD2-CB 4.08Å; Y502-H546 HydrophobicContact CE1-CB 3.52Å; Y502-H546 HydrophobicContact CE2-CB 4.1Å; Y502-H546 HydrophobicContact CG-CB 3.78Å; Y502-V548 HydrophobicContact CD1-CG2 3.54Å; Y502-V548 HydrophobicContact CG-CG2 4.14Å
503	T	85.1	Confident	85.3	Confident	46 Å²	46	44.5 Å²	44.5	28%	0.282	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135	167.8	-60.6	0	0	0	0	108.5	L364 H546 H547 V548	L364-T503 HydrophobicContact CD1-CG2 4.44Å; T503-H546 PolarHBondContact N-O 3.09Å; T503-H547 CarbonylContact O-C 3.6Å; T503-H547 VanDerWaalsContact O-CA 3.26Å; T503-H547 WeakPolarHBondContact O-CA 3.02Å; T503-V548 PolarHBondContact O-N 2.96Å
504	Y	87.5	Confident	84.4	Confident	59 Å²	59	47.2 Å²	47.2	23%	0.231	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.4	178.3	64.6	-84.8	0	0	0	111.3	I494 C497 K498 E506 V548 I550	I494-Y504 HydrophobicContact CG1-CE2 4.14Å; I494-Y504 HydrophobicContact CG2-CE1 4.22Å; I494-Y504 HydrophobicContact CG2-CE2 4.5Å; C497-Y504 HydrophobicContact CB-CD1 4.04Å; C497-Y504 HydrophobicContact CB-CG 4.45Å; K498-Y504 HydrophobicContact CG-CE1 4.4Å; Y504-E506 HydrophobicContact CD2-CB 4.37Å; Y504-V548 CarbonylContact C-O 3.58Å; Y504-V548 WeakPolarHBondContact CA-O 3.43Å; Y504-I550 HydrophobicContact CD2-CD1 3.84Å; Y504-I550 HydrophobicContact CG-CD1 4.08Å
505	C	85.5	Confident	83.7	Confident	34 Å²	34	51.2 Å²	51.2	23%	0.23	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.8	169.2	-167.3	0	0	0	0	107.7	F507 V548 I550	C505-F507 HydrophobicContact CB-CE2 4.36Å; C505-F507 WeakPolarHBondContact SG-CE2 3.22Å; C505-V548 PolarHBondContact N-O 2.88Å; C505-I550 PolarHBondContact O-N 3.11Å
506	E	88.2	Confident	83	Confident	88 Å²	88	59.7 Å²	59.7	41%	0.411	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.6	-172.3	-176.2	174	-179.8	0	0	109.3	T490 Y504 I550	T490-E506 WeakPolarHBondContact CG2-OE1 3.2Å; Y504-E506 HydrophobicContact CD2-CB 4.37Å; E506-I550 HydrophobicContact CB-CB 4.48Å; E506-I550 HydrophobicContact CG-CG2 4.36Å
507	F	86.3	Confident	82.3	Confident	27 Å²	27	61.4 Å²	61.4	12%	0.118	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.1	173.5	-68.8	-87.6	0	0	0	109.4	C505 E521 I522 L549 I550 M551 D552	C505-F507 HydrophobicContact CB-CE2 4.36Å; C505-F507 WeakPolarHBondContact SG-CE2 3.22Å; F507-E521 HydrophobicContact CE1-CB 3.97Å; F507-E521 HydrophobicContact CZ-CB 4.37Å; F507-I522 HydrophobicContact CD2-CG1 4.35Å; F507-I522 HydrophobicContact CE2-CG1 4.06Å; F507-I522 HydrophobicContact CZ-CG1 4.31Å; F507-L549 HydrophobicContact CD2-CD1 3.57Å; F507-L549 HydrophobicContact CE2-CD1 3.65Å; F507-I550 PolarHBondContact N-O 2.94Å; F507-M551 HydrophobicContact CB-CE 4.07Å; F507-M551 HydrophobicContact CB-SD 3.9Å; F507-M551 HydrophobicContact CD2-SD 4.34Å; F507-M551 HydrophobicContact CG-SD 4.46Å; F507-M551 WeakPolarHBondContact O-CA 3.25Å; F507-D552 PolarHBondContact O-N 2.78Å
508	N	86.7	Confident	81.6	Confident	50 Å²	50	61.4 Å²	61.4	27%	0.267	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123.5	161.2	-170.9	-32.7	0	0	0	108.1	S510 D511 C512 E553	N508-S510 PolarHBondContact ND2-OG 3.12Å; N508-S510 PolarHBondContact O-N 3.04Å; N508-S510 WeakPolarHBondContact OD1-CB 3.33Å; N508-S510 PolarHBondContact OD1-N 3.25Å; N508-S510 PolarHBondContact OD1-OG 3.44Å; N508-D511 PolarHBondContact O-N 2.67Å; N508-D511 VanDerWaalsContact O-N 3.08Å; N508-C512 PolarHBondContact O-N 2.98Å; N508-E553 PolarHBondContact ND2-OE2 2.77Å; N508-E553 PolarHBondContact OD1-OE2 3.5Å
509	A	77.1	Confident	80.9	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-11.7	-178.3	0	0	0	0	0	113.2	D511 M551 D552 V554 M557	A509-D511 VanDerWaalsContact C-N 3.34Å; A509-M551 HydrophobicContact CB-CE 4.15Å; A509-D552 WeakPolarHBondContact CB-O 3.14Å; A509-D552 PolarHBondContact N-O 2.99Å; A509-V554 HydrophobicContact CB-CG2 4.19Å; A509-M557 HydrophobicContact CB-CG 3.44Å; A509-M557 VanDerWaalsContact CB-CG 3.44Å; A509-M557 HydrophobicContact CB-SD 3.79Å
510	S	72.7	Confident	80.5	Confident	36 Å²	36	60 Å²	60	25%	0.252	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.1	170	72.4	0	0	0	0	114.3	N508 R513	N508-S510 PolarHBondContact ND2-OG 3.12Å; N508-S510 PolarHBondContact O-N 3.04Å; N508-S510 WeakPolarHBondContact OD1-CB 3.33Å; N508-S510 PolarHBondContact OD1-N 3.25Å; N508-S510 PolarHBondContact OD1-OG 3.44Å; S510-R513 WeakPolarHBondContact O-CG 3.18Å; S510-R513 PolarHBondContact O-NE 3.17Å; S510-R513 PolarHBondContact O-NH2 3.02Å
511	D	73.3	Confident	79.8	Confident	127 Å²	127	60.8 Å²	60.8	68%	0.679	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-48.1	167.2	-64.9	-50	0	0	0	110.6	N508 A509 R513	N508-D511 PolarHBondContact O-N 2.67Å; N508-D511 VanDerWaalsContact O-N 3.08Å; A509-D511 VanDerWaalsContact C-N 3.34Å; D511-R513 PolarHBondContact O-N 3.18Å
512	C	70.4	Confident	79.3	Confident	9 Å²	9	58.2 Å²	58.2	6%	0.061	29%	0.288	C	S	.	.	S	Bend	trans	-93.6	53.2	-173.3	-64.7	0	0	0	0	113.7	N508 L518	N508-C512 PolarHBondContact O-N 2.98Å; C512-L518 HydrophobicContact CB-CD1 4.13Å
513	R	72.1	Confident	78.6	Confident	98 Å²	98	58.7 Å²	58.7	37%	0.37	30%	0.301	S	S	.	.			trans	-76	-38	-171.2	-48	-176.9	-162.5	157.1	6.8	115.2	S510 D511 E561 D562	S510-R513 WeakPolarHBondContact O-CG 3.18Å; S510-R513 PolarHBondContact O-NE 3.17Å; S510-R513 PolarHBondContact O-NH2 3.02Å; D511-R513 PolarHBondContact O-N 3.18Å; R513-E561 IonicContact NH1-OE2 3.14Å; R513-E561 PolarHBondContact NH1-OE2 3.21Å; R513-D562 HydrophobicContact CB-CB 4.46Å; R513-D562 WeakPolarHBondContact CB-OD1 3.45Å; R513-D562 VanDerWaalsContact CD-OD1 3.28Å; R513-D562 WeakPolarHBondContact CD-OD1 3.49Å
514	S	74.3	Confident	77.9	Confident	57 Å²	57	62.6 Å²	62.6	40%	0.399	32%	0.316	S	S	.	.	S	Bend	trans	-81.1	145.8	-172.9	82.5	0	0	0	0	111.8	R516 C517 L518	S514-R516 PolarHBondContact O-N 3.37Å; S514-C517 PolarHBondContact O-N 3.37Å; S514-C517 WeakPolarHBondContact OG-CB 3.07Å; S514-C517 PolarHBondContact OG-N 3.11Å; S514-L518 VanDerWaalsContact O-CB 3.31Å; S514-L518 WeakPolarHBondContact O-CB 3.35Å; S514-L518 PolarHBondContact O-N 2.98Å
515	K	79.1	Confident	76.9	Confident	105 Å²	105	61.6 Å²	61.6	46%	0.457	32%	0.318	S	S	.	.	H	α-helix	trans	-52.9	-39.4	178.6	163.9	163.5	174	149.5	0	113.2	S519 E568	K515-S519 WeakPolarHBondContact O-CB 3.12Å; K515-S519 PolarHBondContact O-N 3.09Å; K515-S519 VanDerWaalsContact O-N 3.1Å; K515-S519 PolarHBondContact O-OG 3.12Å; K515-E568 HydrophobicContact CB-CB 4.42Å; K515-E568 HydrophobicContact CD-CB 4.31Å; K515-E568 HydrophobicContact CD-CG 4.32Å; K515-E568 WeakPolarHBondContact CE-OE2 3.47Å; K515-E568 HydrophobicContact CG-CB 4.13Å; K515-E568 HydrophobicContact CG-CG 4.01Å; K515-E568 IonicContact NZ-OE2 3.97Å; K515-E568 PolarHBondContact NZ-OE2 3.02Å
516	R	79.5	Confident	75.9	Confident	190 Å²	190	63.3 Å²	63.3	72%	0.717	32%	0.324	S	S	*	.	H	α-helix	trans	-66.2	-58	179.4	-71.3	-174	-175	167.1	0.8	111.3	S514 L518 S519 E520	S514-R516 PolarHBondContact O-N 3.37Å; R516-L518 VanDerWaalsContact C-N 3.31Å; R516-L518 PolarHBondContact O-N 2.9Å; R516-S519 CarbonylContact O-C 3.39Å; R516-S519 WeakPolarHBondContact O-CA 3.36Å; R516-S519 PolarHBondContact O-N 3.36Å; R516-S519 PolarHBondContact O-OG 2.72Å; R516-E520 WeakPolarHBondContact CB-OE1 3.48Å; R516-E520 WeakPolarHBondContact O-CG 3.47Å; R516-E520 PolarHBondContact O-N 2.72Å
517	C	77.8	Confident	74.6	Confident	36 Å²	36	62 Å²	62	24%	0.243	33%	0.334	C	S	.	.	H	α-helix	trans	-52.8	-47.9	177	177.1	0	0	0	0	111.9	S514 S519 E520 E521	S514-C517 PolarHBondContact O-N 3.37Å; S514-C517 WeakPolarHBondContact OG-CB 3.07Å; S514-C517 PolarHBondContact OG-N 3.11Å; C517-S519 VanDerWaalsContact C-N 3.31Å; C517-S519 PolarHBondContact O-N 2.88Å; C517-E520 PolarHBondContact O-N 2.86Å; C517-E520 VanDerWaalsContact O-N 3.14Å; C517-E521 WeakPolarHBondContact O-CB 3.44Å; C517-E521 PolarHBondContact O-N 3.02Å
518	L	77.4	Confident	73	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-57.6	-41.1	176.6	-166.9	76.2	0	0	0	112.4	C512 S514 R516 I522 M551 M557 E568 L569 M572	C512-L518 HydrophobicContact CB-CD1 4.13Å; S514-L518 VanDerWaalsContact O-CB 3.31Å; S514-L518 WeakPolarHBondContact O-CB 3.35Å; S514-L518 PolarHBondContact O-N 2.98Å; R516-L518 VanDerWaalsContact C-N 3.31Å; R516-L518 PolarHBondContact O-N 2.9Å; L518-I522 HydrophobicContact CD1-CD1 3.58Å; L518-I522 HydrophobicContact CG-CD1 4.05Å; L518-I522 WeakPolarHBondContact O-CB 3.24Å; L518-I522 PolarHBondContact O-N 3.33Å; L518-M551 HydrophobicContact CD1-CE 3.91Å; L518-M557 HydrophobicContact CD1-CE 3.9Å; L518-M557 HydrophobicContact CD2-CE 3.91Å; L518-E568 HydrophobicContact CD2-CB 4.05Å; L518-E568 HydrophobicContact CD2-CG 4.41Å; L518-L569 HydrophobicContact CD2-CB 4.33Å; L518-M572 HydrophobicContact CD1-CE 4Å; L518-M572 HydrophobicContact CD2-CE 3.59Å; L518-M572 HydrophobicContact CG-CE 3.59Å; L518-M572 HydrophobicContact CG-SD 4.29Å
519	S	77	Confident	71.5	Confident	56 Å²	56	72.7 Å²	72.7	39%	0.392	38%	0.376	S	S	.	.	H	α-helix	trans	-74.9	-28	177.4	66.7	0	0	0	0	114.2	K515 R516 C517 G523	K515-S519 WeakPolarHBondContact O-CB 3.12Å; K515-S519 PolarHBondContact O-N 3.09Å; K515-S519 VanDerWaalsContact O-N 3.1Å; K515-S519 PolarHBondContact O-OG 3.12Å; R516-S519 CarbonylContact O-C 3.39Å; R516-S519 WeakPolarHBondContact O-CA 3.36Å; R516-S519 PolarHBondContact O-N 3.36Å; R516-S519 PolarHBondContact O-OG 2.72Å; C517-S519 VanDerWaalsContact C-N 3.31Å; C517-S519 PolarHBondContact O-N 2.88Å; S519-G523 VanDerWaalsContact O-CA 3.27Å; S519-G523 WeakPolarHBondContact O-CA 3.46Å; S519-G523 PolarHBondContact O-N 3.4Å
520	E	80.8	Confident	70.4	Confident	106 Å²	106	74.8 Å²	74.8	50%	0.495	39%	0.387	S	S	.	.	H	α-helix	trans	-81.6	-53.1	-178	-73.3	160.4	-147.1	0	0	111.6	R516 C517 G523 Q524	R516-E520 WeakPolarHBondContact CB-OE1 3.48Å; R516-E520 WeakPolarHBondContact O-CG 3.47Å; R516-E520 PolarHBondContact O-N 2.72Å; C517-E520 PolarHBondContact O-N 2.86Å; C517-E520 VanDerWaalsContact O-N 3.14Å; E520-G523 PolarHBondContact O-N 3.18Å; E520-Q524 WeakPolarHBondContact O-CB 3.09Å; E520-Q524 VanDerWaalsContact O-CG 3.26Å; E520-Q524 WeakPolarHBondContact O-CG 3.32Å; E520-Q524 PolarHBondContact O-N 3.1Å; E520-Q524 PolarHBondContact O-NE2 2.9Å
521	E	75.3	Confident	69.7	Low	71 Å²	71	78.4 Å²	78.4	33%	0.332	40%	0.403	S	S	.	.	H	α-helix	trans	-62.8	-47.5	179.9	-72.6	-70.6	170.3	0	0	111.8	F507 C517 S525	F507-E521 HydrophobicContact CE1-CB 3.97Å; F507-E521 HydrophobicContact CZ-CB 4.37Å; C517-E521 WeakPolarHBondContact O-CB 3.44Å; C517-E521 PolarHBondContact O-N 3.02Å; E521-S525 WeakPolarHBondContact O-CB 3.5Å; E521-S525 PolarHBondContact O-N 3.06Å; E521-S525 PolarHBondContact O-OG 2.99Å
522	I	74.6	Confident	69.1	Low	1 Å²	1	74.2 Å²	74.2	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-79.3	-29.4	-179.1	-60	166.1	0	0	0	110.4	F507 L518 S525 L526 L549 M551 M572	F507-I522 HydrophobicContact CD2-CG1 4.35Å; F507-I522 HydrophobicContact CE2-CG1 4.06Å; F507-I522 HydrophobicContact CZ-CG1 4.31Å; L518-I522 HydrophobicContact CD1-CD1 3.58Å; L518-I522 HydrophobicContact CG-CD1 4.05Å; L518-I522 WeakPolarHBondContact O-CB 3.24Å; L518-I522 PolarHBondContact O-N 3.33Å; I522-S525 PolarHBondContact O-N 3.5Å; I522-L526 HydrophobicContact CG2-CD1 3.89Å; I522-L526 HydrophobicContact CG2-CG 4.2Å; I522-L526 VanDerWaalsContact O-CB 3.29Å; I522-L526 WeakPolarHBondContact O-CB 3.12Å; I522-L526 WeakPolarHBondContact O-CD1 3.35Å; I522-L526 WeakPolarHBondContact O-CG 3.29Å; I522-L526 PolarHBondContact O-N 2.95Å; I522-L549 HydrophobicContact CD1-CD2 4.21Å; I522-L549 HydrophobicContact CG1-CD1 4.37Å; I522-L549 HydrophobicContact CG2-CD1 4.38Å; I522-L549 HydrophobicContact CG2-CD2 3.81Å; I522-M551 HydrophobicContact CD1-CE 4.17Å; I522-M551 HydrophobicContact CD1-SD 3.85Å; I522-M572 HydrophobicContact CB-SD 4.07Å; I522-M572 HydrophobicContact CD1-CE 3.63Å; I522-M572 HydrophobicContact CD1-SD 3.97Å; I522-M572 HydrophobicContact CG2-SD 3.86Å
523	G	70.9	Confident	68.5	Low	37 Å²	37	77 Å²	77	38%	0.381	40%	0.396	S	S	.	.	H	α-helix	trans	-62	-46.6	170.9	0	0	0	0	0	112.4	S519 E520 L526 G527	S519-G523 VanDerWaalsContact O-CA 3.27Å; S519-G523 WeakPolarHBondContact O-CA 3.46Å; S519-G523 PolarHBondContact O-N 3.4Å; E520-G523 PolarHBondContact O-N 3.18Å; G523-L526 PolarHBondContact O-N 3.47Å; G523-G527 PolarHBondContact O-N 3.44Å
524	Q	69	Low	67.9	Low	127 Å²	127	78 Å²	78	59%	0.593	41%	0.406	S	S	*	.	H	α-helix	trans	-60.7	-48.3	172	-72.9	173.2	66.8	0	0	110.8	E520 L526 G527 L528	E520-Q524 WeakPolarHBondContact O-CB 3.09Å; E520-Q524 VanDerWaalsContact O-CG 3.26Å; E520-Q524 WeakPolarHBondContact O-CG 3.32Å; E520-Q524 PolarHBondContact O-N 3.1Å; E520-Q524 PolarHBondContact O-NE2 2.9Å; Q524-L526 VanDerWaalsContact C-N 3.32Å; Q524-L526 PolarHBondContact O-N 2.84Å; Q524-G527 CarbonylContact O-C 3.53Å; Q524-G527 WeakPolarHBondContact O-CA 3.29Å; Q524-G527 PolarHBondContact O-N 3.3Å; Q524-L528 WeakPolarHBondContact O-CG 3.4Å; Q524-L528 PolarHBondContact O-N 3.01Å
525	S	67.6	Low	67.4	Low	39 Å²	39	79.1 Å²	79.1	27%	0.273	42%	0.419	S	S	.	.	H	α-helix	trans	-62.5	-34	-179.9	-60	0	0	0	0	113.8	E521 I522	E521-S525 WeakPolarHBondContact O-CB 3.5Å; E521-S525 PolarHBondContact O-N 3.06Å; E521-S525 PolarHBondContact O-OG 2.99Å; I522-S525 PolarHBondContact O-N 3.5Å
526	L	64.7	Low	66.8	Low	70 Å²	70	80.9 Å²	80.9	37%	0.366	43%	0.427	S	S	.	.	H	α-helix	trans	-71.4	-30.5	171.8	-75.3	163.5	0	0	0	112.5	I522 G523 Q524 T576 L578	I522-L526 HydrophobicContact CG2-CD1 3.89Å; I522-L526 HydrophobicContact CG2-CG 4.2Å; I522-L526 VanDerWaalsContact O-CB 3.29Å; I522-L526 WeakPolarHBondContact O-CB 3.12Å; I522-L526 WeakPolarHBondContact O-CD1 3.35Å; I522-L526 WeakPolarHBondContact O-CG 3.29Å; I522-L526 PolarHBondContact O-N 2.95Å; G523-L526 PolarHBondContact O-N 3.47Å; Q524-L526 VanDerWaalsContact C-N 3.32Å; Q524-L526 PolarHBondContact O-N 2.84Å; L526-T576 HydrophobicContact CD1-CG2 3.91Å; L526-T576 HydrophobicContact CD2-CG2 4.16Å; L526-L578 HydrophobicContact CD2-CB 4.49Å; L526-L578 HydrophobicContact CD2-CD1 3.62Å; L526-L578 HydrophobicContact CD2-CG 3.86Å
527	G	59.3	Low	65.6	Low	59 Å²	59	74.8 Å²	74.8	61%	0.608	42%	0.423	S	S	*	.	H	α-helix	trans	-75.6	-25.9	175.8	0	0	0	0	0	114.1	G523 Q524 R529	G523-G527 PolarHBondContact O-N 3.44Å; Q524-G527 CarbonylContact O-C 3.53Å; Q524-G527 WeakPolarHBondContact O-CA 3.29Å; Q524-G527 PolarHBondContact O-N 3.3Å; G527-R529 PolarHBondContact O-N 3.33Å
528	L	54.5	Low	64.7	Low	91 Å²	91	77.3 Å²	77.3	48%	0.476	43%	0.431	S	S	.	.			trans	-72.7	57.3	-177.8	-74.5	174.1	0	0	0	114	Q524 N530 L531	Q524-L528 WeakPolarHBondContact O-CG 3.4Å; Q524-L528 PolarHBondContact O-N 3.01Å; L528-N530 PolarHBondContact O-N 3.07Å; L528-L531 HydrophobicContact CD2-CD1 3.81Å
529	R	54.2	Low	63.5	Low	212 Å²	212	80.1 Å²	80.1	80%	0.8	45%	0.454	S	S	*	.			trans	-64.2	115.3	165.4	-80.7	-179.7	162.7	165.2	-4.8	110.4	G527 L531	G527-R529 PolarHBondContact O-N 3.33Å; R529-L531 PolarHBondContact O-N 3.1Å
530	N	55	Low	62.3	Low	43 Å²	43	82.7 Å²	82.7	23%	0.23	47%	0.472	C	S	.	.	S	Bend	trans	62.7	5.9	157.8	-62.1	-11.6	0	0	0	118.6	L528 S532 H533 M534 L542	L528-N530 PolarHBondContact O-N 3.07Å; N530-S532 VanDerWaalsContact C-N 3.28Å; N530-S532 PolarHBondContact O-N 3.03Å; N530-H533 PolarHBondContact O-N 3.29Å; N530-M534 WeakPolarHBondContact O-CB 3.46Å; N530-M534 PolarHBondContact O-N 2.78Å; N530-L542 HydrophobicContact CB-CD2 3.76Å
531	L	58	Low	61	Low	113 Å²	113	81.3 Å²	81.3	59%	0.592	47%	0.471	S	S	*	.	H	α-helix	trans	-56.9	-37	-175.2	-108.2	174.2	0	0	0	113.7	L528 R529 A535	L528-L531 HydrophobicContact CD2-CD1 3.81Å; R529-L531 PolarHBondContact O-N 3.1Å; L531-A535 VanDerWaalsContact O-CB 3.25Å; L531-A535 WeakPolarHBondContact O-CB 3.49Å; L531-A535 PolarHBondContact O-N 2.98Å
532	S	59	Low	59.8	Low	39 Å²	39	79.4 Å²	79.4	27%	0.273	46%	0.463	S	S	.	.	H	α-helix	trans	-63.2	-54.6	175.2	51.9	0	0	0	0	112.5	N530 M534 A535 F536	N530-S532 VanDerWaalsContact C-N 3.28Å; N530-S532 PolarHBondContact O-N 3.03Å; S532-M534 VanDerWaalsContact C-N 3.3Å; S532-M534 PolarHBondContact O-N 3.24Å; S532-A535 PolarHBondContact O-N 2.79Å; S532-F536 WeakPolarHBondContact O-CD2 3.34Å; S532-F536 PolarHBondContact O-N 3.41Å
533	H	58.8	Low	58.4	Low	66 Å²	66	87.1 Å²	87.1	31%	0.306	50%	0.504	S	S	.	.	H	α-helix	trans	-67.6	-28.4	-179.6	-73.8	-76.2	0	0	0	113.2	N530 Q538 L542	N530-H533 PolarHBondContact O-N 3.29Å; H533-Q538 PolarHBondContact O-N 2.93Å; H533-L542 HydrophobicContact CB-CD2 3.37Å
534	M	59.4	Low	57.5	Low	120 Å²	120	89.2 Å²	89.2	59%	0.591	51%	0.513	S	S	*	.	H	α-helix	trans	-69.7	-45.1	169.7	-77.2	-171.4	153.1	0	0	112.1	N530 S532 F536 G537 L542	N530-M534 WeakPolarHBondContact O-CB 3.46Å; N530-M534 PolarHBondContact O-N 2.78Å; S532-M534 VanDerWaalsContact C-N 3.3Å; S532-M534 PolarHBondContact O-N 3.24Å; M534-F536 VanDerWaalsContact C-N 3.29Å; M534-F536 PolarHBondContact O-N 2.88Å; M534-G537 PolarHBondContact O-N 2.66Å; M534-G537 VanDerWaalsContact O-N 3.07Å; M534-L542 HydrophobicContact CE-CD1 4.13Å; M534-L542 HydrophobicContact CG-CD1 4.24Å
535	A	63.3	Low	57	Low	80 Å²	80	84.7 Å²	84.7	66%	0.661	50%	0.501	S	S	*	.	H	α-helix	trans	-61.8	-34.9	178.2	0	0	0	0	0	113	L531 S532 G537	L531-A535 VanDerWaalsContact O-CB 3.25Å; L531-A535 WeakPolarHBondContact O-CB 3.49Å; L531-A535 PolarHBondContact O-N 2.98Å; S532-A535 PolarHBondContact O-N 2.79Å; A535-G537 VanDerWaalsContact C-N 3.27Å; A535-G537 PolarHBondContact O-N 3.16Å
536	F	67.1	Low	57.4	Low	143 Å²	143	86 Å²	86	63%	0.627	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	11.2	175.9	-63.5	-58	0	0	0	114.5	S532 M534 Q538	S532-F536 WeakPolarHBondContact O-CD2 3.34Å; S532-F536 PolarHBondContact O-N 3.41Å; M534-F536 VanDerWaalsContact C-N 3.29Å; M534-F536 PolarHBondContact O-N 2.88Å; F536-Q538 PolarHBondContact O-N 3.25Å; F536-Q538 VanDerWaalsContact O-N 3.1Å
537	G	53.7	Low	58.2	Low	62 Å²	62	85 Å²	85	64%	0.639	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	6	176.9	0	0	0	0	0	115.1	M534 A535 A539	M534-G537 PolarHBondContact O-N 2.66Å; M534-G537 VanDerWaalsContact O-N 3.07Å; A535-G537 VanDerWaalsContact C-N 3.27Å; A535-G537 PolarHBondContact O-N 3.16Å; G537-A539 PolarHBondContact O-N 3.04Å
538	Q	60.2	Low	59.6	Low	89 Å²	89	82.2 Å²	82.2	42%	0.416	47%	0.467	S	S	.	.			trans	-85.3	43.1	-177.1	-66.2	-168.7	4	0	0	112.2	H533 F536 S540 T541	H533-Q538 PolarHBondContact O-N 2.93Å; F536-Q538 PolarHBondContact O-N 3.25Å; F536-Q538 VanDerWaalsContact O-N 3.1Å; Q538-S540 PolarHBondContact O-N 3.39Å; Q538-S540 VanDerWaalsContact O-N 3.16Å; Q538-T541 PolarHBondContact O-N 2.88Å; Q538-T541 PolarHBondContact O-OG1 3.11Å
539	A	52	Low	61.2	Low	58 Å²	58	78.4 Å²	78.4	48%	0.479	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-59.4	-27.9	-178.4	0	0	0	0	0	113	G537 T541 L542	G537-A539 PolarHBondContact O-N 3.04Å; A539-T541 VanDerWaalsContact C-N 3.29Å; A539-T541 PolarHBondContact O-N 3.09Å; A539-L542 HydrophobicContact CB-CD1 4.3Å; A539-L542 WeakPolarHBondContact O-CB 3.24Å; A539-L542 WeakPolarHBondContact O-CD1 3.31Å; A539-L542 VanDerWaalsContact O-CG 3.25Å; A539-L542 WeakPolarHBondContact O-CG 3.25Å
540	S	51.4	Low	63.1	Low	110 Å²	110	68.3 Å²	68.3	77%	0.769	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-68	-22.6	174.7	51.9	0	0	0	0	114.3	Q538	Q538-S540 PolarHBondContact O-N 3.39Å; Q538-S540 VanDerWaalsContact O-N 3.16Å
541	T	53.3	Low	64.7	Low	77 Å²	77	66.2 Å²	66.2	47%	0.472	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-92.3	-3.3	-175.8	-29.6	0	0	0	0	112.5	Q538 A539 N543	Q538-T541 PolarHBondContact O-N 2.88Å; Q538-T541 PolarHBondContact O-OG1 3.11Å; A539-T541 VanDerWaalsContact C-N 3.29Å; A539-T541 PolarHBondContact O-N 3.09Å; T541-N543 PolarHBondContact O-N 3.07Å; T541-N543 VanDerWaalsContact O-N 3.14Å
542	L	49	Very low	66.3	Low	31 Å²	31	61.9 Å²	61.9	16%	0.162	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-63.6	-20.1	-171.8	-67.7	179.2	0	0	0	115.2	N530 H533 M534 A539 S544 G545	N530-L542 HydrophobicContact CB-CD2 3.76Å; H533-L542 HydrophobicContact CB-CD2 3.37Å; M534-L542 HydrophobicContact CE-CD1 4.13Å; M534-L542 HydrophobicContact CG-CD1 4.24Å; A539-L542 HydrophobicContact CB-CD1 4.3Å; A539-L542 WeakPolarHBondContact O-CB 3.24Å; A539-L542 WeakPolarHBondContact O-CD1 3.31Å; A539-L542 VanDerWaalsContact O-CG 3.25Å; A539-L542 WeakPolarHBondContact O-CG 3.25Å; L542-S544 PolarHBondContact O-N 3.25Å; L542-G545 PolarHBondContact O-N 3.13Å
543	N	45.8	Very low	67.7	Low	163 Å²	163	63.8 Å²	63.8	87%	0.872	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-72.2	2.2	-172.3	-71.6	-0.5	0	0	0	115.1	T541	T541-N543 PolarHBondContact O-N 3.07Å; T541-N543 VanDerWaalsContact O-N 3.14Å
544	S	53.1	Low	69.1	Low	82 Å²	82	60.6 Å²	60.6	57%	0.573	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-126.8	8.2	-178.4	-166.7	0	0	0	0	114.4	L542 H546	L542-S544 PolarHBondContact O-N 3.25Å; S544-H546 VanDerWaalsContact C-N 3.3Å; S544-H546 PolarHBondContact O-N 3.25Å
545	G	58.4	Low	70.3	Confident	32 Å²	32	56.8 Å²	56.8	33%	0.33	35%	0.347	S	S	.	.			trans	-73.8	69.1	-176.9	0	0	0	0	0	114.2	L542 H547	L542-G545 PolarHBondContact O-N 3.13Å; G545-H547 PolarHBondContact O-CD2 3.21Å
546	H	75.9	Confident	71.2	Confident	65 Å²	65	54.8 Å²	54.8	30%	0.301	34%	0.335	S	S	.	.			trans	-77.2	129.6	170.7	-67.7	-83.9	0	0	0	110.4	H447 Y502 T503 S544	H447-H546 AromaticContact CD2-CE1 3.74Å; H447-H546 AromaticContact CD2-CG 3.99Å; H447-H546 AromaticContact CD2-ND1 3.11Å; H447-H546 PolarHBondContact CD2-ND1 3.36Å; H447-H546 AromaticContact CE1-ND1 3.37Å; H447-H546 PolarHBondContact CE1-ND1 3.05Å; H447-H546 AromaticContact CG-CE1 3.64Å; H447-H546 AromaticContact CG-ND1 3.42Å; H447-H546 AromaticContact ND1-CE1 3.9Å; H447-H546 AromaticContact ND1-ND1 3.57Å; H447-H546 AromaticContact NE2-CG 3.87Å; H447-H546 AromaticContact NE2-ND1 3.06Å; H447-H546 PolarHBondContact NE2-ND1 2.72Å; Y502-H546 WeakPolarHBondContact CA-O 3.48Å; Y502-H546 HydrophobicContact CD1-CB 3.47Å; Y502-H546 VanDerWaalsContact CD1-CB 3.47Å; Y502-H546 HydrophobicContact CD2-CB 4.08Å; Y502-H546 HydrophobicContact CE1-CB 3.52Å; Y502-H546 HydrophobicContact CE2-CB 4.1Å; Y502-H546 HydrophobicContact CG-CB 3.78Å; T503-H546 PolarHBondContact N-O 3.09Å; S544-H546 VanDerWaalsContact C-N 3.3Å; S544-H546 PolarHBondContact O-N 3.25Å
547	H	81.2	Confident	71.6	Confident	49 Å²	49	48 Å²	48	23%	0.227	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.6	-176.6	-67.3	-87.4	0	0	0	112.2	T503 G545 L578 P579	T503-H547 CarbonylContact O-C 3.6Å; T503-H547 VanDerWaalsContact O-CA 3.26Å; T503-H547 WeakPolarHBondContact O-CA 3.02Å; G545-H547 PolarHBondContact O-CD2 3.21Å; H547-L578 HydrophobicContact CB-CD1 3.9Å; H547-L578 HydrophobicContact CB-CD2 4.06Å; H547-P579 WeakPolarHBondContact O-CD 3.28Å
548	V	88.3	Confident	72.1	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	137	176.1	-169.7	0	0	0	0	110.2	L443 Y502 T503 Y504 C505 I550 P579 I581	L443-V548 HydrophobicContact CD1-CG2 4.19Å; L443-V548 HydrophobicContact CD2-CG2 4.09Å; Y502-V548 HydrophobicContact CD1-CG2 3.54Å; Y502-V548 HydrophobicContact CG-CG2 4.14Å; T503-V548 PolarHBondContact O-N 2.96Å; Y504-V548 CarbonylContact C-O 3.58Å; Y504-V548 WeakPolarHBondContact CA-O 3.43Å; C505-V548 PolarHBondContact N-O 2.88Å; V548-I550 HydrophobicContact CG1-CG1 4.3Å; V548-P579 HydrophobicContact CB-CG 4.39Å; V548-P579 HydrophobicContact CG1-CG 4.29Å; V548-P579 HydrophobicContact CG2-CG 4.04Å; V548-I581 HydrophobicContact CG1-CD1 3.78Å; V548-I581 HydrophobicContact CG1-CG1 3.98Å
549	L	89.1	Confident	72.3	Confident	10 Å²	10	43.7 Å²	43.7	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.4	168.8	-175.6	68.9	0	0	0	109.5	F507 I522 M551 P579 I580 I581	F507-L549 HydrophobicContact CD2-CD1 3.57Å; F507-L549 HydrophobicContact CE2-CD1 3.65Å; I522-L549 HydrophobicContact CD1-CD2 4.21Å; I522-L549 HydrophobicContact CG1-CD1 4.37Å; I522-L549 HydrophobicContact CG2-CD1 4.38Å; I522-L549 HydrophobicContact CG2-CD2 3.81Å; L549-M551 HydrophobicContact CD1-SD 4.27Å; L549-M551 HydrophobicContact CD2-CG 4.43Å; L549-M551 HydrophobicContact CD2-SD 4.14Å; L549-M551 HydrophobicContact CG-CG 4.37Å; L549-M551 HydrophobicContact CG-SD 4.09Å; L549-P579 PolarHBondContact N-O 2.93Å; L549-I580 HydrophobicContact CB-CG1 4.22Å; L549-I580 HydrophobicContact CD2-CD1 4.04Å; L549-I580 HydrophobicContact CD2-CG1 4.07Å; L549-I580 HydrophobicContact CD2-CG2 4.21Å; L549-I580 CarbonylContact O-C 3.47Å; L549-I580 WeakPolarHBondContact O-CA 3.41Å; L549-I581 PolarHBondContact O-N 3.42Å
550	I	92.4	Very high	72.8	Confident	0 Å²	0	46 Å²	46	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.7	174.8	-57.7	-179.9	0	0	0	108	A493 Y504 C505 E506 F507 V548 I581 M583	A493-I550 HydrophobicContact CB-CD1 4.21Å; Y504-I550 HydrophobicContact CD2-CD1 3.84Å; Y504-I550 HydrophobicContact CG-CD1 4.08Å; C505-I550 PolarHBondContact O-N 3.11Å; E506-I550 HydrophobicContact CB-CB 4.48Å; E506-I550 HydrophobicContact CG-CG2 4.36Å; F507-I550 PolarHBondContact N-O 2.94Å; V548-I550 HydrophobicContact CG1-CG1 4.3Å; I550-I581 WeakPolarHBondContact CA-O 3.32Å; I550-I581 HydrophobicContact CG1-CB 4.44Å; I550-M583 HydrophobicContact CG2-CE 3.49Å; I550-M583 VanDerWaalsContact CG2-CE 3.49Å
551	M	89.4	Confident	73.2	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	106.4	174.6	-56.6	-63.7	-56.8	0	0	108.2	F507 A509 L518 I522 L549 V554 L569 I580 I581 C582 M583	F507-M551 HydrophobicContact CB-CE 4.07Å; F507-M551 HydrophobicContact CB-SD 3.9Å; F507-M551 HydrophobicContact CD2-SD 4.34Å; F507-M551 HydrophobicContact CG-SD 4.46Å; F507-M551 WeakPolarHBondContact O-CA 3.25Å; A509-M551 HydrophobicContact CB-CE 4.15Å; L518-M551 HydrophobicContact CD1-CE 3.91Å; I522-M551 HydrophobicContact CD1-CE 4.17Å; I522-M551 HydrophobicContact CD1-SD 3.85Å; L549-M551 HydrophobicContact CD1-SD 4.27Å; L549-M551 HydrophobicContact CD2-CG 4.43Å; L549-M551 HydrophobicContact CD2-SD 4.14Å; L549-M551 HydrophobicContact CG-CG 4.37Å; L549-M551 HydrophobicContact CG-SD 4.09Å; M551-V554 HydrophobicContact CB-CG2 3.67Å; M551-V554 WeakPolarHBondContact O-CG2 3.39Å; M551-L569 HydrophobicContact CG-CD1 4.36Å; M551-I580 HydrophobicContact CG-CG2 4.35Å; M551-I581 PolarHBondContact N-O 2.81Å; M551-C582 CarbonylContact O-C 3.08Å; M551-C582 WeakPolarHBondContact O-CA 3.32Å; M551-M583 PolarHBondContact O-N 3.39Å
552	D	91.7	Very high	73.7	Confident	22 Å²	22	45 Å²	45	12%	0.118	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	160	172.2	-148.3	-15.5	0	0	0	111.4	T490 F507 A509 V554 M583	T490-D552 WeakPolarHBondContact CG2-OD2 3.38Å; T490-D552 PolarHBondContact OG1-OD2 3.14Å; F507-D552 PolarHBondContact O-N 2.78Å; A509-D552 WeakPolarHBondContact CB-O 3.14Å; A509-D552 PolarHBondContact N-O 2.99Å; D552-V554 VanDerWaalsContact C-N 3.31Å; D552-V554 PolarHBondContact O-N 3.45Å; D552-M583 HydrophobicContact CB-CE 3.65Å; D552-M583 WeakPolarHBondContact OD1-CB 3.49Å; D552-M583 WeakPolarHBondContact OD2-CE 3.45Å
553	E	88.9	Confident	74.5	Confident	78 Å²	78	51.9 Å²	51.9	36%	0.364	29%	0.288	S	S	.	.			trans	54	38.8	175.6	-49.4	-162.7	124.3	0	0	114.8	N508 D555 G556	N508-E553 PolarHBondContact ND2-OE2 2.77Å; N508-E553 PolarHBondContact OD1-OE2 3.5Å; E553-D555 PolarHBondContact O-N 3.39Å; E553-D555 VanDerWaalsContact O-N 3.16Å; E553-G556 WeakPolarHBondContact O-CA 3.47Å; E553-G556 PolarHBondContact O-N 2.83Å
554	V	87	Confident	75.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-64.3	-20.2	-178.1	179.3	0	0	0	0	112.8	A509 M551 D552 G556 M557 M566 L569 C582 M583 I592 L595	A509-V554 HydrophobicContact CB-CG2 4.19Å; M551-V554 HydrophobicContact CB-CG2 3.67Å; M551-V554 WeakPolarHBondContact O-CG2 3.39Å; D552-V554 VanDerWaalsContact C-N 3.31Å; D552-V554 PolarHBondContact O-N 3.45Å; V554-G556 PolarHBondContact O-N 2.87Å; V554-M557 HydrophobicContact CG1-SD 4.15Å; V554-M557 PolarHBondContact O-N 3.46Å; V554-M566 HydrophobicContact CG1-CE 4.19Å; V554-M566 HydrophobicContact CG1-SD 3.77Å; V554-L569 HydrophobicContact CG1-CD2 3.53Å; V554-L569 HydrophobicContact CG2-CD2 4.41Å; V554-C582 HydrophobicContact CG2-CB 4.09Å; V554-M583 WeakPolarHBondContact CB-O 3.38Å; V554-M583 PolarHBondContact N-O 3.47Å; V554-I592 HydrophobicContact CB-CD1 4.47Å; V554-I592 HydrophobicContact CG1-CD1 4.14Å; V554-L595 HydrophobicContact CG1-CD2 3.66Å
555	D	85.8	Confident	77.2	Confident	39 Å²	39	41.6 Å²	41.6	21%	0.209	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-68.6	-14.5	169.1	41.2	-14.2	0	0	0	113.9	E553 C584 N585 D586 I592	E553-D555 PolarHBondContact O-N 3.39Å; E553-D555 VanDerWaalsContact O-N 3.16Å; D555-C584 HydrophobicContact CB-CB 4.04Å; D555-C584 WeakPolarHBondContact OD1-CA 3.49Å; D555-C584 WeakPolarHBondContact OD1-CB 3.47Å; D555-N585 PolarHBondContact OD1-N 3.19Å; D555-N585 WeakPolarHBondContact OD2-CA 3.41Å; D555-N585 WeakPolarHBondContact OD2-CB 3.35Å; D555-N585 PolarHBondContact OD2-N 3.48Å; D555-D586 PolarHBondContact OD2-N 3.44Å; D555-I592 HydrophobicContact CB-CD1 4.1Å; D555-I592 HydrophobicContact CB-CG1 3.95Å
556	G	81.1	Confident	78.4	Confident	39 Å²	39	41 Å²	41	40%	0.402	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-82.3	-14.5	174.2	0	0	0	0	0	116	E553 V554 A558	E553-G556 WeakPolarHBondContact O-CA 3.47Å; E553-G556 PolarHBondContact O-N 2.83Å; V554-G556 PolarHBondContact O-N 2.87Å; G556-A558 PolarHBondContact O-N 3.12Å
557	M	75.9	Confident	78.7	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.222	C	C	.	.	S	Bend	trans	-73.4	37.8	-178.7	-59.6	-175	77.7	0	0	114.3	A509 L518 V554 D562 M566 L569	A509-M557 HydrophobicContact CB-CG 3.44Å; A509-M557 VanDerWaalsContact CB-CG 3.44Å; A509-M557 HydrophobicContact CB-SD 3.79Å; L518-M557 HydrophobicContact CD1-CE 3.9Å; L518-M557 HydrophobicContact CD2-CE 3.91Å; V554-M557 HydrophobicContact CG1-SD 4.15Å; V554-M557 PolarHBondContact O-N 3.46Å; M557-D562 WeakPolarHBondContact O-CB 3.36Å; M557-M566 HydrophobicContact CB-CG 4.14Å; M557-M566 HydrophobicContact CB-SD 3.98Å; M557-M566 HydrophobicContact CG-SD 4.5Å; M557-M566 HydrophobicContact SD-SD 4.13Å; M557-L569 HydrophobicContact SD-CD2 3.97Å
558	A	63.9	Low	78.9	Confident	21 Å²	21	39.9 Å²	39.9	17%	0.174	22%	0.218	C	C	.	.			trans	-158.2	67.5	-164.7	0	0	0	0	0	116.4	G556 D562 K591	G556-A558 PolarHBondContact O-N 3.12Å; A558-D562 WeakPolarHBondContact CA-OD2 3.45Å; A558-D562 PolarHBondContact N-OD2 3.4Å; A558-K591 HydrophobicContact CB-CB 4.45Å; A558-K591 HydrophobicContact CB-CD 3.38Å; A558-K591 VanDerWaalsContact CB-CE 3.41Å; A558-K591 HydrophobicContact CB-CG 3.81Å; A558-K591 PolarHBondContact O-NZ 2.86Å
559	G	64.5	Low	78.8	Confident	38 Å²	38	39.8 Å²	39.8	39%	0.392	22%	0.217	S	C	.	.	S	Bend	trans	-106	-164.5	156.8	0	0	0	0	0	112.9	E561 D562	G559-E561 PolarHBondContact O-N 3.19Å; G559-D562 PolarHBondContact N-OD2 3.11Å; G559-D562 PolarHBondContact O-N 2.95Å
560	N	62.4	Low	78.7	Confident	106 Å²	106	39.5 Å²	39.5	57%	0.567	22%	0.215	S	C	*	.	S	Bend	trans	-66.2	-25.1	171.7	-81.1	-32.4	0	0	0	112.9	Y81 D562	Y81-N560 WeakPolarHBondContact CE2-OD1 3.17Å; N560-D562 VanDerWaalsContact C-N 3.33Å
561	E	60.7	Low	78.3	Confident	153 Å²	153	41.2 Å²	41.2	72%	0.715	22%	0.224	S	C	*	.	S	Bend	trans	-72.2	-26.2	179.1	-65	167.3	-177	0	0	112.1	R513 G559 R563	R513-E561 IonicContact NH1-OE2 3.14Å; R513-E561 PolarHBondContact NH1-OE2 3.21Å; G559-E561 PolarHBondContact O-N 3.19Å; E561-R563 PolarHBondContact O-N 2.82Å
562	D	63.3	Low	78	Confident	15 Å²	15	42 Å²	42	8%	0.08	23%	0.228	C	C	.	.			trans	-102.6	27	-160.3	-47.9	-33.6	0	0	0	112.9	R513 M557 A558 G559 N560 G564 G565	R513-D562 HydrophobicContact CB-CB 4.46Å; R513-D562 WeakPolarHBondContact CB-OD1 3.45Å; R513-D562 VanDerWaalsContact CD-OD1 3.28Å; R513-D562 WeakPolarHBondContact CD-OD1 3.49Å; M557-D562 WeakPolarHBondContact O-CB 3.36Å; A558-D562 WeakPolarHBondContact CA-OD2 3.45Å; A558-D562 PolarHBondContact N-OD2 3.4Å; G559-D562 PolarHBondContact N-OD2 3.11Å; G559-D562 PolarHBondContact O-N 2.95Å; N560-D562 VanDerWaalsContact C-N 3.33Å; D562-G564 PolarHBondContact O-N 2.9Å; D562-G565 PolarHBondContact O-N 3.17Å
563	R	65.6	Low	77.7	Confident	174 Å²	174	40.9 Å²	40.9	66%	0.657	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	109.9	-177.2	-72.5	-172.8	-179.5	-173.8	1.8	110.7	E561	E561-R563 PolarHBondContact O-N 2.82Å
564	G	75.4	Confident	77.4	Confident	29 Å²	29	40.5 Å²	40.5	30%	0.299	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	-5.7	178.4	0	0	0	0	0	116.2	D562 M566 Q567 E568	D562-G564 PolarHBondContact O-N 2.9Å; G564-M566 PolarHBondContact O-N 2.68Å; G564-Q567 CarbonylContact O-C 3.53Å; G564-Q567 WeakPolarHBondContact O-CA 3.24Å; G564-Q567 PolarHBondContact O-N 3.17Å; G564-E568 PolarHBondContact O-N 2.98Å
565	G	80.8	Confident	77.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56.7	-49.6	-179.4	0	0	0	0	0	112.9	D562 Q567 E568 L569	D562-G565 PolarHBondContact O-N 3.17Å; G565-Q567 VanDerWaalsContact C-N 3.31Å; G565-Q567 PolarHBondContact O-N 3.17Å; G565-E568 PolarHBondContact O-N 2.89Å; G565-L569 PolarHBondContact O-N 2.91Å
566	M	83.4	Confident	76.6	Confident	20 Å²	20	44.9 Å²	44.9	10%	0.099	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-34.1	172.8	-73.5	-65.4	-63.5	0	0	113.9	V554 M557 G564 I570 I592 L595	V554-M566 HydrophobicContact CG1-CE 4.19Å; V554-M566 HydrophobicContact CG1-SD 3.77Å; M557-M566 HydrophobicContact CB-CG 4.14Å; M557-M566 HydrophobicContact CB-SD 3.98Å; M557-M566 HydrophobicContact CG-SD 4.5Å; M557-M566 HydrophobicContact SD-SD 4.13Å; G564-M566 PolarHBondContact O-N 2.68Å; M566-I570 VanDerWaalsContact O-CG1 3.31Å; M566-I570 WeakPolarHBondContact O-CG1 3.09Å; M566-I570 PolarHBondContact O-N 3.15Å; M566-I570 VanDerWaalsContact O-N 3.09Å; M566-I592 HydrophobicContact CE-CD1 4.17Å; M566-L595 HydrophobicContact CE-CB 3.75Å; M566-L595 HydrophobicContact CE-CD2 3.95Å; M566-L595 HydrophobicContact CE-CG 4.38Å
567	Q	82.8	Confident	76.4	Confident	64 Å²	64	49.1 Å²	49.1	30%	0.299	25%	0.252	S	S	.	.	H	α-helix	trans	-74.1	-33	178.4	-176.9	50.6	62.8	0	0	110.9	G564 G565 I570 N571	G564-Q567 CarbonylContact O-C 3.53Å; G564-Q567 WeakPolarHBondContact O-CA 3.24Å; G564-Q567 PolarHBondContact O-N 3.17Å; G565-Q567 VanDerWaalsContact C-N 3.31Å; G565-Q567 PolarHBondContact O-N 3.17Å; Q567-I570 CarbonylContact O-C 3.57Å; Q567-I570 PolarHBondContact O-N 3.47Å; Q567-N571 PolarHBondContact NE2-OD1 3.29Å; Q567-N571 PolarHBondContact O-N 2.99Å; Q567-N571 PolarHBondContact O-ND2 3.21Å; Q567-N571 PolarHBondContact O-OD1 3.24Å
568	E	84.4	Confident	76.7	Confident	27 Å²	27	51.1 Å²	51.1	13%	0.126	26%	0.262	C	S	.	.	H	α-helix	trans	-73	-36.9	173.3	-159.9	59.9	-140.3	0	0	112.1	K515 L518 G564 G565 I570 N571 M572	K515-E568 HydrophobicContact CB-CB 4.42Å; K515-E568 HydrophobicContact CD-CB 4.31Å; K515-E568 HydrophobicContact CD-CG 4.32Å; K515-E568 WeakPolarHBondContact CE-OE2 3.47Å; K515-E568 HydrophobicContact CG-CB 4.13Å; K515-E568 HydrophobicContact CG-CG 4.01Å; K515-E568 IonicContact NZ-OE2 3.97Å; K515-E568 PolarHBondContact NZ-OE2 3.02Å; L518-E568 HydrophobicContact CD2-CB 4.05Å; L518-E568 HydrophobicContact CD2-CG 4.41Å; G564-E568 PolarHBondContact O-N 2.98Å; G565-E568 PolarHBondContact O-N 2.89Å; E568-I570 VanDerWaalsContact C-N 3.28Å; E568-I570 PolarHBondContact O-N 2.79Å; E568-N571 CarbonylContact O-C 3.49Å; E568-N571 WeakPolarHBondContact O-CA 3.46Å; E568-N571 WeakPolarHBondContact O-CB 3.39Å; E568-N571 PolarHBondContact O-N 3.4Å; E568-N571 WeakPolarHBondContact OE1-CB 3.32Å; E568-N571 PolarHBondContact OE2-ND2 2.91Å; E568-M572 WeakPolarHBondContact O-CG 3.32Å; E568-M572 PolarHBondContact O-N 3.03Å
569	L	85.9	Confident	77.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.1	-42.5	168.3	-178.1	59.3	0	0	0	111.7	L518 M551 V554 M557 G565 N571 M572 I573 L595	L518-L569 HydrophobicContact CD2-CB 4.33Å; M551-L569 HydrophobicContact CG-CD1 4.36Å; V554-L569 HydrophobicContact CG1-CD2 3.53Å; V554-L569 HydrophobicContact CG2-CD2 4.41Å; M557-L569 HydrophobicContact SD-CD2 3.97Å; G565-L569 PolarHBondContact O-N 2.91Å; L569-N571 VanDerWaalsContact C-N 3.29Å; L569-N571 PolarHBondContact O-N 2.9Å; L569-M572 HydrophobicContact CB-CE 4.49Å; L569-M572 HydrophobicContact CD1-CE 3.73Å; L569-M572 PolarHBondContact O-N 2.86Å; L569-I573 HydrophobicContact CD1-CD1 4.38Å; L569-I573 HydrophobicContact CG-CD1 4.19Å; L569-I573 WeakPolarHBondContact O-CD1 3.46Å; L569-I573 VanDerWaalsContact O-CG1 3.26Å; L569-I573 WeakPolarHBondContact O-CG1 3.49Å; L569-I573 PolarHBondContact O-N 3.32Å; L569-L595 HydrophobicContact CD2-CD1 4.29Å; L569-L595 HydrophobicContact CD2-CD2 4.14Å; L569-L595 HydrophobicContact CG-CD1 4.32Å
570	I	86.7	Confident	79	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.015	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-27.5	173.2	-73.1	168	0	0	0	112.5	M566 Q567 E568 K574 L595 Y598	M566-I570 VanDerWaalsContact O-CG1 3.31Å; M566-I570 WeakPolarHBondContact O-CG1 3.09Å; M566-I570 PolarHBondContact O-N 3.15Å; M566-I570 VanDerWaalsContact O-N 3.09Å; Q567-I570 CarbonylContact O-C 3.57Å; Q567-I570 PolarHBondContact O-N 3.47Å; E568-I570 VanDerWaalsContact C-N 3.28Å; E568-I570 PolarHBondContact O-N 2.79Å; I570-K574 VanDerWaalsContact CG2-NZ 3.29Å; I570-K574 VanDerWaalsContact O-CD 3.25Å; I570-K574 WeakPolarHBondContact O-CD 3.47Å; I570-K574 WeakPolarHBondContact O-CE 3.4Å; I570-K574 WeakPolarHBondContact O-CG 3.36Å; I570-L595 HydrophobicContact CD1-CB 4.45Å; I570-L595 HydrophobicContact CG1-CD1 3.79Å; I570-Y598 HydrophobicContact CD1-CD2 4.28Å; I570-Y598 HydrophobicContact CD1-CE2 4.16Å; I570-Y598 HydrophobicContact CG1-CD2 4.09Å; I570-Y598 HydrophobicContact CG1-CE2 4.29Å; I570-Y598 HydrophobicContact CG2-CD2 3.9Å; I570-Y598 HydrophobicContact CG2-CE1 4.47Å; I570-Y598 HydrophobicContact CG2-CE2 3.56Å; I570-Y598 HydrophobicContact CG2-CG 4.48Å
571	N	85.4	Confident	80.5	Confident	36 Å²	36	43.3 Å²	43.3	19%	0.193	21%	0.208	C	C	.	.	H	α-helix	trans	-76.2	-48.1	174.2	-65.5	-20.4	0	0	0	111	Q567 E568 L569 I573 K574 I575	Q567-N571 PolarHBondContact NE2-OD1 3.29Å; Q567-N571 PolarHBondContact O-N 2.99Å; Q567-N571 PolarHBondContact O-ND2 3.21Å; Q567-N571 PolarHBondContact O-OD1 3.24Å; E568-N571 CarbonylContact O-C 3.49Å; E568-N571 WeakPolarHBondContact O-CA 3.46Å; E568-N571 WeakPolarHBondContact O-CB 3.39Å; E568-N571 PolarHBondContact O-N 3.4Å; E568-N571 WeakPolarHBondContact OE1-CB 3.32Å; E568-N571 PolarHBondContact OE2-ND2 2.91Å; L569-N571 VanDerWaalsContact C-N 3.29Å; L569-N571 PolarHBondContact O-N 2.9Å; N571-I573 VanDerWaalsContact C-N 3.35Å; N571-I573 PolarHBondContact O-N 3.35Å; N571-K574 WeakPolarHBondContact O-CB 3.33Å; N571-K574 PolarHBondContact O-N 3.3Å; N571-I575 WeakPolarHBondContact O-CG1 3.34Å; N571-I575 PolarHBondContact O-N 2.79Å
572	M	81.9	Confident	82.1	Confident	16 Å²	16	36 Å²	36	8%	0.079	17%	0.174	C	C	.	.	H	α-helix	trans	-53.6	-50.2	174.9	-70.6	-165.5	-58.5	0	0	111.1	L518 I522 E568 L569 K574 I575 T576	L518-M572 HydrophobicContact CD1-CE 4Å; L518-M572 HydrophobicContact CD2-CE 3.59Å; L518-M572 HydrophobicContact CG-CE 3.59Å; L518-M572 HydrophobicContact CG-SD 4.29Å; I522-M572 HydrophobicContact CB-SD 4.07Å; I522-M572 HydrophobicContact CD1-CE 3.63Å; I522-M572 HydrophobicContact CD1-SD 3.97Å; I522-M572 HydrophobicContact CG2-SD 3.86Å; E568-M572 WeakPolarHBondContact O-CG 3.32Å; E568-M572 PolarHBondContact O-N 3.03Å; L569-M572 HydrophobicContact CB-CE 4.49Å; L569-M572 HydrophobicContact CD1-CE 3.73Å; L569-M572 PolarHBondContact O-N 2.86Å; M572-K574 PolarHBondContact O-N 3.1Å; M572-I575 PolarHBondContact O-N 2.84Å; M572-T576 HydrophobicContact CB-CG2 4.42Å; M572-T576 WeakPolarHBondContact O-CG2 3.31Å; M572-T576 PolarHBondContact O-N 3.47Å; M572-T576 PolarHBondContact O-OG1 2.83Å; M572-T576 VanDerWaalsContact O-OG1 3.13Å
573	I	85.2	Confident	83.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-51.6	-34.2	178.1	-73.5	164.4	0	0	0	112.7	Y459 A478 L569 N571 I580 L595	Y459-I573 HydrophobicContact CE1-CG2 4.46Å; Y459-I573 WeakPolarHBondContact OH-CG2 3.49Å; Y459-I573 PolarHBondContact OH-O 3.27Å; A478-I573 HydrophobicContact CB-CD1 4.07Å; A478-I573 HydrophobicContact CB-CG1 4Å; A478-I573 HydrophobicContact CB-CG2 4.01Å; L569-I573 HydrophobicContact CD1-CD1 4.38Å; L569-I573 HydrophobicContact CG-CD1 4.19Å; L569-I573 WeakPolarHBondContact O-CD1 3.46Å; L569-I573 VanDerWaalsContact O-CG1 3.26Å; L569-I573 WeakPolarHBondContact O-CG1 3.49Å; L569-I573 PolarHBondContact O-N 3.32Å; N571-I573 VanDerWaalsContact C-N 3.35Å; N571-I573 PolarHBondContact O-N 3.35Å; I573-I580 HydrophobicContact CG1-CD1 3.81Å; I573-L595 HydrophobicContact CD1-CD1 3.51Å
574	K	82.9	Confident	84.8	Confident	70 Å²	70	27 Å²	27	30%	0.304	14%	0.139	S	C	.	.	H	α-helix	trans	-81.1	-24.2	178.7	-62.4	161.4	-169.9	166.2	0	113.5	Y459 R477 I570 N571 M572 Y598	Y459-K574 HydrophobicContact CE2-CB 4.4Å; Y459-K574 HydrophobicContact CE2-CG 4.21Å; R477-K574 PolarHBondContact NH1-O 2.9Å; I570-K574 VanDerWaalsContact CG2-NZ 3.29Å; I570-K574 VanDerWaalsContact O-CD 3.25Å; I570-K574 WeakPolarHBondContact O-CD 3.47Å; I570-K574 WeakPolarHBondContact O-CE 3.4Å; I570-K574 WeakPolarHBondContact O-CG 3.36Å; N571-K574 WeakPolarHBondContact O-CB 3.33Å; N571-K574 PolarHBondContact O-N 3.3Å; M572-K574 PolarHBondContact O-N 3.1Å; K574-Y598 VanDerWaalsContact CE-CE1 3.44Å
575	I	80.2	Confident	85.6	Confident	122 Å²	122	28.4 Å²	28.4	63%	0.626	14%	0.139	S	C	*	.	H	α-helix	trans	-96.1	-39.8	-174.5	-65.6	168.4	0	0	0	111.3	N571 M572 Q577	N571-I575 WeakPolarHBondContact O-CG1 3.34Å; N571-I575 PolarHBondContact O-N 2.79Å; M572-I575 PolarHBondContact O-N 2.84Å; I575-Q577 PolarHBondContact O-NE2 3.3Å
576	T	76.5	Confident	85.8	Confident	9 Å²	9	31.6 Å²	31.6	6%	0.055	16%	0.157	C	C	.	.			trans	-63.2	149.8	-171.2	52.8	0	0	0	0	113.5	R477 L526 M572 I580	R477-T576 PolarHBondContact NH1-O 2.93Å; R477-T576 VanDerWaalsContact NH1-O 3.1Å; L526-T576 HydrophobicContact CD1-CG2 3.91Å; L526-T576 HydrophobicContact CD2-CG2 4.16Å; M572-T576 HydrophobicContact CB-CG2 4.42Å; M572-T576 WeakPolarHBondContact O-CG2 3.31Å; M572-T576 PolarHBondContact O-N 3.47Å; M572-T576 PolarHBondContact O-OG1 2.83Å; M572-T576 VanDerWaalsContact O-OG1 3.13Å; T576-I580 HydrophobicContact CG2-CD1 4.18Å
577	Q	76.7	Confident	85.9	Confident	128 Å²	128	34.2 Å²	34.2	60%	0.598	17%	0.166	S	C	*	.	S	Bend	trans	-109.4	18.1	171.8	-55.1	-59.8	-37.2	0	0	111.5	W446 I575	W446-Q577 WeakPolarHBondContact CH2-O 3.49Å; I575-Q577 PolarHBondContact O-NE2 3.3Å
578	L	81.5	Confident	85.9	Confident	43 Å²	43	38 Å²	38	23%	0.225	18%	0.183	C	C	.	.	S	Bend	trans	-117.3	147	171.5	-61.8	-171.4	0	0	0	110.2	W446 L526 H547	W446-L578 VanDerWaalsContact CZ2-C 3.46Å; L526-L578 HydrophobicContact CD2-CB 4.49Å; L526-L578 HydrophobicContact CD2-CD1 3.62Å; L526-L578 HydrophobicContact CD2-CG 3.86Å; H547-L578 HydrophobicContact CB-CD1 3.9Å; H547-L578 HydrophobicContact CB-CD2 4.06Å
579	P	88.4	Confident	85.8	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.			trans	-62.4	135.6	168.2	25.2	-33.1	0	0	0	111.1	W442 L443 W446 H547 V548 L549	W442-P579 HydrophobicContact CH2-CB 4.14Å; W442-P579 HydrophobicContact CZ3-CB 4.41Å; L443-P579 HydrophobicContact CD1-CB 3.71Å; L443-P579 HydrophobicContact CD1-CG 3.67Å; W446-P579 HydrophobicContact CD2-CB 3.86Å; W446-P579 HydrophobicContact CD2-CG 4.23Å; W446-P579 HydrophobicContact CE3-CB 4.49Å; W446-P579 HydrophobicContact CE3-CG 4.4Å; W446-P579 HydrophobicContact CG-CB 4.01Å; W446-P579 HydrophobicContact CZ2-CB 4.29Å; H547-P579 WeakPolarHBondContact O-CD 3.28Å; V548-P579 HydrophobicContact CB-CG 4.39Å; V548-P579 HydrophobicContact CG1-CG 4.29Å; V548-P579 HydrophobicContact CG2-CG 4.04Å; L549-P579 PolarHBondContact N-O 2.93Å
580	I	89.9	Confident	85.5	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.9	175.3	-53.9	-177.3	0	0	0	109.3	A478 A479 L549 M551 I573 T576	A478-I580 CarbonylContact C-O 3.54Å; A478-I580 WeakPolarHBondContact CA-O 3.47Å; A478-I580 HydrophobicContact CB-CB 4.01Å; A478-I580 WeakPolarHBondContact CB-O 3.37Å; A479-I580 PolarHBondContact N-O 3.19Å; L549-I580 HydrophobicContact CB-CG1 4.22Å; L549-I580 HydrophobicContact CD2-CD1 4.04Å; L549-I580 HydrophobicContact CD2-CG1 4.07Å; L549-I580 HydrophobicContact CD2-CG2 4.21Å; L549-I580 CarbonylContact O-C 3.47Å; L549-I580 WeakPolarHBondContact O-CA 3.41Å; M551-I580 HydrophobicContact CG-CG2 4.35Å; I573-I580 HydrophobicContact CG1-CD1 3.81Å; T576-I580 HydrophobicContact CG2-CD1 4.18Å
581	I	93.6	Very high	85.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	103	174.1	-57.4	177.2	0	0	0	107.9	L439 W442 L481 A493 V548 L549 I550 M551 M583	L439-I581 HydrophobicContact CD1-CD1 4.23Å; L439-I581 HydrophobicContact CD1-CG1 4.49Å; L439-I581 HydrophobicContact CD2-CD1 4.45Å; W442-I581 HydrophobicContact CZ3-CG1 4.22Å; L481-I581 HydrophobicContact CD1-CG2 3.52Å; L481-I581 HydrophobicContact CG-CG2 3.91Å; A493-I581 HydrophobicContact CB-CG2 4.15Å; V548-I581 HydrophobicContact CG1-CD1 3.78Å; V548-I581 HydrophobicContact CG1-CG1 3.98Å; L549-I581 PolarHBondContact O-N 3.42Å; I550-I581 WeakPolarHBondContact CA-O 3.32Å; I550-I581 HydrophobicContact CG1-CB 4.44Å; M551-I581 PolarHBondContact N-O 2.81Å; I581-M583 HydrophobicContact CG2-CG 4.46Å
582	C	93.4	Very high	85.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	146	172.4	-60.6	0	0	0	0	110.2	A479 L480 L481 M551 V554 L595	A479-C582 PolarHBondContact O-N 3Å; L480-C582 CarbonylContact C-O 3.59Å; L480-C582 WeakPolarHBondContact CA-O 3.03Å; L480-C582 HydrophobicContact CD1-CB 3.93Å; L481-C582 PolarHBondContact N-O 3.35Å; M551-C582 CarbonylContact O-C 3.08Å; M551-C582 WeakPolarHBondContact O-CA 3.32Å; V554-C582 HydrophobicContact CG2-CB 4.09Å; C582-L595 HydrophobicContact CB-CD2 4.27Å
583	M	94.3	Very high	85.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.1	175.6	-50.5	-165.7	-89.8	0	0	111.4	L481 K489 T490 A493 I550 M551 D552 V554 I581	L481-M583 HydrophobicContact CB-CB 4.48Å; L481-M583 HydrophobicContact CB-CG 4Å; L481-M583 HydrophobicContact CB-SD 4.5Å; L481-M583 HydrophobicContact CD1-CG 3.93Å; L481-M583 HydrophobicContact CD1-SD 3.73Å; L481-M583 HydrophobicContact CG-CG 4.3Å; L481-M583 WeakPolarHBondContact O-CA 3.17Å; K489-M583 HydrophobicContact CB-SD 4.2Å; T490-M583 HydrophobicContact CG2-CE 3.83Å; A493-M583 HydrophobicContact CB-CE 4.5Å; A493-M583 HydrophobicContact CB-SD 4.15Å; I550-M583 HydrophobicContact CG2-CE 3.49Å; I550-M583 VanDerWaalsContact CG2-CE 3.49Å; M551-M583 PolarHBondContact O-N 3.39Å; D552-M583 HydrophobicContact CB-CE 3.65Å; D552-M583 WeakPolarHBondContact OD1-CB 3.49Å; D552-M583 WeakPolarHBondContact OD2-CE 3.45Å; V554-M583 WeakPolarHBondContact CB-O 3.38Å; V554-M583 PolarHBondContact N-O 3.47Å; I581-M583 HydrophobicContact CG2-CG 4.46Å
584	C	92.1	Very high	85.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	157.8	174.6	68.8	0	0	0	0	112.3	L481 S482 K489 D555 D586 I592	L481-C584 PolarHBondContact O-N 3.17Å; S482-C584 WeakPolarHBondContact CB-SG 3.44Å; K489-C584 WeakPolarHBondContact CE-O 3.3Å; K489-C584 PolarHBondContact NZ-O 2.8Å; D555-C584 HydrophobicContact CB-CB 4.04Å; D555-C584 WeakPolarHBondContact OD1-CA 3.49Å; D555-C584 WeakPolarHBondContact OD1-CB 3.47Å; C584-D586 PolarHBondContact SG-O 3.44Å; C584-I592 HydrophobicContact CB-CD1 4.02Å; C584-I592 HydrophobicContact CB-CG1 4.19Å
585	N	91.3	Very high	85.2	Confident	57 Å²	57	51.5 Å²	51.5	31%	0.305	25%	0.252	S	S	.	.	S	Bend	trans	-86.8	-38.3	175.2	-66.2	-64	0	0	0	112	G483 K489 D555	G483-N585 CarbonylContact C-O 3.56Å; G483-N585 VanDerWaalsContact C-O 3.32Å; G483-N585 CarbonylContact O-C 3.52Å; G483-N585 WeakPolarHBondContact O-CA 3.43Å; K489-N585 PolarHBondContact NZ-OD1 3.22Å; D555-N585 PolarHBondContact OD1-N 3.19Å; D555-N585 WeakPolarHBondContact OD2-CA 3.41Å; D555-N585 WeakPolarHBondContact OD2-CB 3.35Å; D555-N585 PolarHBondContact OD2-N 3.48Å
586	D	85.8	Confident	85.5	Confident	68 Å²	68	46.1 Å²	46.1	36%	0.364	23%	0.225	S	C	.	.			trans	-116.2	140.4	169.7	-177.7	37.8	0	0	0	113.8	D555 C584 Q588 A589	D555-D586 PolarHBondContact OD2-N 3.44Å; C584-D586 PolarHBondContact SG-O 3.44Å; D586-Q588 VanDerWaalsContact CG-N 3.29Å; D586-Q588 PolarHBondContact OD1-N 2.99Å; D586-Q588 PolarHBondContact OD2-N 2.83Å; D586-A589 PolarHBondContact OD2-N 3.31Å
587	R	85.1	Confident	85.8	Confident	75 Å²	75	50 Å²	50	28%	0.283	25%	0.246	S	C	.	.	S	Bend	trans	-102.4	-16.4	176.5	-171.6	-97.1	173.8	-137.1	2.8	112.6	D601 R603	R587-D601 IonicContact CZ-OD2 2.71Å; R587-D601 IonicContact NE-OD2 2.76Å; R587-D601 PolarHBondContact NE-OD2 2.99Å; R587-D601 IonicContact NH2-OD2 3.52Å; R587-D601 PolarHBondContact NH2-OD2 2.86Å; R587-R603 VanDerWaalsContact CZ-NH2 3.35Å; R587-R603 VanDerWaalsContact NE-NH2 3.13Å
588	Q	83.1	Confident	86.1	Confident	143 Å²	143	47.1 Å²	47.1	67%	0.668	23%	0.23	S	C	*	.	S	Bend	trans	-79.8	-29	179.5	-55.1	-160.5	27.2	0	0	112	D586 I590 R593	D586-Q588 VanDerWaalsContact CG-N 3.29Å; D586-Q588 PolarHBondContact OD1-N 2.99Å; D586-Q588 PolarHBondContact OD2-N 2.83Å; Q588-I590 PolarHBondContact O-N 3.13Å; Q588-R593 PolarHBondContact O-NH2 3.08Å
589	A	80.8	Confident	86.4	Confident	27 Å²	27	45.1 Å²	45.1	22%	0.223	22%	0.22	C	C	.	.	S	Bend	trans	-37.4	124.8	173.6	0	0	0	0	0	112.4	D586 K591 I592 R593	D586-A589 PolarHBondContact OD2-N 3.31Å; A589-K591 PolarHBondContact O-N 3.5Å; A589-K591 VanDerWaalsContact O-N 3.09Å; A589-I592 HydrophobicContact CB-CB 4.39Å; A589-I592 HydrophobicContact CB-CG1 4.28Å; A589-I592 PolarHBondContact O-N 2.88Å; A589-I592 VanDerWaalsContact O-N 3.13Å; A589-R593 PolarHBondContact O-N 3.11Å
590	I	81.1	Confident	86.5	Confident	135 Å²	135	45.2 Å²	45.2	69%	0.692	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.9	-174	-59.4	170.7	0	0	0	111.3	Q588 R593	Q588-I590 PolarHBondContact O-N 3.13Å; I590-R593 WeakPolarHBondContact O-CB 3.39Å
591	K	79	Confident	86.5	Confident	96 Å²	96	46.6 Å²	46.6	42%	0.417	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-56.3	177.4	-60.7	138.4	174.2	-159.7	0	111.6	A558 A589 R593 S594	A558-K591 HydrophobicContact CB-CB 4.45Å; A558-K591 HydrophobicContact CB-CD 3.38Å; A558-K591 VanDerWaalsContact CB-CE 3.41Å; A558-K591 HydrophobicContact CB-CG 3.81Å; A558-K591 PolarHBondContact O-NZ 2.86Å; A589-K591 PolarHBondContact O-N 3.5Å; A589-K591 VanDerWaalsContact O-N 3.09Å; K591-R593 PolarHBondContact O-N 3.24Å; K591-S594 WeakPolarHBondContact O-CB 3.43Å; K591-S594 PolarHBondContact O-N 2.98Å; K591-S594 PolarHBondContact O-OG 2.71Å
592	I	84.6	Confident	86.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-30.9	178.5	-63.5	-58.2	0	0	0	112.1	L480 V554 D555 M566 C584 A589 S594 L595 A596	L480-I592 HydrophobicContact CD2-CG2 3.84Å; V554-I592 HydrophobicContact CB-CD1 4.47Å; V554-I592 HydrophobicContact CG1-CD1 4.14Å; D555-I592 HydrophobicContact CB-CD1 4.1Å; D555-I592 HydrophobicContact CB-CG1 3.95Å; M566-I592 HydrophobicContact CE-CD1 4.17Å; C584-I592 HydrophobicContact CB-CD1 4.02Å; C584-I592 HydrophobicContact CB-CG1 4.19Å; A589-I592 HydrophobicContact CB-CB 4.39Å; A589-I592 HydrophobicContact CB-CG1 4.28Å; A589-I592 PolarHBondContact O-N 2.88Å; A589-I592 VanDerWaalsContact O-N 3.13Å; I592-S594 PolarHBondContact O-N 3.1Å; I592-S594 VanDerWaalsContact O-N 3.12Å; I592-L595 HydrophobicContact CD1-CD2 4.47Å; I592-L595 PolarHBondContact O-N 2.66Å; I592-L595 VanDerWaalsContact O-N 3.09Å; I592-A596 WeakPolarHBondContact O-CB 3.34Å; I592-A596 PolarHBondContact O-N 2.88Å
593	R	82.9	Confident	86.3	Confident	128 Å²	128	52.3 Å²	52.3	48%	0.483	25%	0.249	S	C	.	.	H	α-helix	trans	-58.3	-23.4	175.1	-158.7	-176.4	-55.1	161.1	4.1	113.9	Q588 A589 I590 K591 N597	Q588-R593 PolarHBondContact O-NH2 3.08Å; A589-R593 PolarHBondContact O-N 3.11Å; I590-R593 WeakPolarHBondContact O-CB 3.39Å; K591-R593 PolarHBondContact O-N 3.24Å; R593-N597 PolarHBondContact O-ND2 2.9Å
594	S	83.1	Confident	86.2	Confident	50 Å²	50	52.5 Å²	52.5	35%	0.35	25%	0.25	S	S	.	.	H	α-helix	trans	-76.3	-47.2	172.7	69.8	0	0	0	0	112	K591 I592 N597	K591-S594 WeakPolarHBondContact O-CB 3.43Å; K591-S594 PolarHBondContact O-N 2.98Å; K591-S594 PolarHBondContact O-OG 2.71Å; I592-S594 PolarHBondContact O-N 3.1Å; I592-S594 VanDerWaalsContact O-N 3.12Å; S594-N597 PolarHBondContact O-ND2 3.16Å; S594-N597 VanDerWaalsContact O-ND2 3.11Å
595	L	85.7	Confident	86.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.6	-41.8	180	179.5	66.5	0	0	0	112.6	L480 V554 M566 L569 I570 I573 C582 I592 N597 Y598	L480-L595 HydrophobicContact CD1-CD2 4.39Å; V554-L595 HydrophobicContact CG1-CD2 3.66Å; M566-L595 HydrophobicContact CE-CB 3.75Å; M566-L595 HydrophobicContact CE-CD2 3.95Å; M566-L595 HydrophobicContact CE-CG 4.38Å; L569-L595 HydrophobicContact CD2-CD1 4.29Å; L569-L595 HydrophobicContact CD2-CD2 4.14Å; L569-L595 HydrophobicContact CG-CD1 4.32Å; I570-L595 HydrophobicContact CD1-CB 4.45Å; I570-L595 HydrophobicContact CG1-CD1 3.79Å; I573-L595 HydrophobicContact CD1-CD1 3.51Å; C582-L595 HydrophobicContact CB-CD2 4.27Å; I592-L595 HydrophobicContact CD1-CD2 4.47Å; I592-L595 PolarHBondContact O-N 2.66Å; I592-L595 VanDerWaalsContact O-N 3.09Å; L595-N597 PolarHBondContact O-N 2.88Å; L595-Y598 PolarHBondContact O-N 3.35Å
596	A	85.7	Confident	86.1	Confident	8 Å²	8	62.5 Å²	62.5	7%	0.066	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.7	-175	0	0	0	0	0	114.6	L480 I592 Y598	L480-A596 HydrophobicContact CD2-CB 3.82Å; I592-A596 WeakPolarHBondContact O-CB 3.34Å; I592-A596 PolarHBondContact O-N 2.88Å; A596-Y598 VanDerWaalsContact C-N 3.29Å
597	N	83	Confident	86.3	Confident	92 Å²	92	59.7 Å²	59.7	49%	0.492	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-11	174.5	-51.1	-67.8	0	0	0	113.5	R593 S594 L595	R593-N597 PolarHBondContact O-ND2 2.9Å; S594-N597 PolarHBondContact O-ND2 3.16Å; S594-N597 VanDerWaalsContact O-ND2 3.11Å; L595-N597 PolarHBondContact O-N 2.88Å
598	Y	84.3	Confident	86.6	Confident	67 Å²	67	64.2 Å²	64.2	26%	0.263	29%	0.292	S	S	.	.	S	Bend	trans	-109.5	-2	-179.6	-59.5	-80.7	0	0	0	113.1	Y459 I570 K574 L595 A596	Y459-Y598 AromaticContact CD1-CD1 4Å; Y459-Y598 HydrophobicContact CD1-CD1 4Å; Y459-Y598 HydrophobicContact CE1-CD1 4.18Å; I570-Y598 HydrophobicContact CD1-CD2 4.28Å; I570-Y598 HydrophobicContact CD1-CE2 4.16Å; I570-Y598 HydrophobicContact CG1-CD2 4.09Å; I570-Y598 HydrophobicContact CG1-CE2 4.29Å; I570-Y598 HydrophobicContact CG2-CD2 3.9Å; I570-Y598 HydrophobicContact CG2-CE1 4.47Å; I570-Y598 HydrophobicContact CG2-CE2 3.56Å; I570-Y598 HydrophobicContact CG2-CG 4.48Å; K574-Y598 VanDerWaalsContact CE-CE1 3.44Å; L595-Y598 PolarHBondContact O-N 3.35Å; A596-Y598 VanDerWaalsContact C-N 3.29Å
599	C	88	Confident	87.1	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.007	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.5	-171.1	-56	0	0	0	0	112.5	W475 A478 L480 D601	W475-C599 WeakPolarHBondContact CH2-O 3.37Å; A478-C599 HydrophobicContact CB-CB 4.45Å; A478-C599 CarbonylContact O-C 3.51Å; A478-C599 VanDerWaalsContact O-CA 3.23Å; A478-C599 WeakPolarHBondContact O-CA 3.19Å; L480-C599 HydrophobicContact CB-CB 3.78Å; C599-D601 PolarHBondContact O-N 3.27Å
600	L	89.4	Confident	87.6	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	107.3	167.8	179.7	62.9	0	0	0	110.6	W442 D471 A476 A478 A479 L480 L602	W442-L600 HydrophobicContact CB-CD2 3.9Å; W442-L600 HydrophobicContact CD2-CD2 4.25Å; W442-L600 HydrophobicContact CG-CD2 3.68Å; D471-L600 WeakPolarHBondContact OD2-CD1 3.24Å; A476-L600 HydrophobicContact CB-CB 4.24Å; A478-L600 PolarHBondContact O-N 3.26Å; A479-L600 HydrophobicContact CB-CB 4.29Å; L480-L600 PolarHBondContact N-O 2.83Å; L600-L602 HydrophobicContact CD2-CD1 4.13Å; L600-L602 HydrophobicContact CD2-CD2 4.06Å; L600-L602 HydrophobicContact CD2-CG 4.16Å; L600-L602 HydrophobicContact CG-CD1 4.43Å; L600-L602 HydrophobicContact CG-CD2 3.96Å; L600-L602 HydrophobicContact CG-CG 3.96Å; L600-L602 PolarHBondContact O-N 3.32Å
601	D	90.7	Very high	88	Confident	30 Å²	30	61.1 Å²	61.1	16%	0.16	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	101.7	-178.9	-171.8	-10.4	0	0	0	111.1	R587 C599 R603	R587-D601 IonicContact CZ-OD2 2.71Å; R587-D601 IonicContact NE-OD2 2.76Å; R587-D601 PolarHBondContact NE-OD2 2.99Å; R587-D601 IonicContact NH2-OD2 3.52Å; R587-D601 PolarHBondContact NH2-OD2 2.86Å; C599-D601 PolarHBondContact O-N 3.27Å; D601-R603 WeakPolarHBondContact OD1-CG 3.47Å; D601-R603 IonicContact OD1-CZ 2.72Å; D601-R603 IonicContact OD1-NE 3.15Å; D601-R603 PolarHBondContact OD1-NE 3.31Å; D601-R603 IonicContact OD2-CZ 2.79Å; D601-R603 IonicContact OD2-NE 3.78Å; D601-R603 PolarHBondContact OD2-NE 3.31Å; D601-R603 VanDerWaalsContact OD2-NE 3.1Å; D601-R603 IonicContact OD2-NH2 2.71Å; D601-R603 PolarHBondContact OD2-NH2 2.9Å
602	L	90.9	Very high	88.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	101.5	-178.2	-66.7	-179.1	0	0	0	110.4	P435 R438 L439 A479 L480 L481 S482 L600	P435-L602 HydrophobicContact CB-CB 4.46Å; R438-L602 HydrophobicContact CB-CD2 3.83Å; L439-L602 HydrophobicContact CB-CD1 3.88Å; L439-L602 HydrophobicContact CD1-CD1 3.92Å; L439-L602 HydrophobicContact CG-CD1 4.47Å; A479-L602 HydrophobicContact CB-CD1 4.46Å; L480-L602 PolarHBondContact O-N 3.17Å; L481-L602 HydrophobicContact CD2-CB 3.94Å; L481-L602 HydrophobicContact CD2-CD1 3.69Å; L481-L602 HydrophobicContact CD2-CG 4.44Å; S482-L602 PolarHBondContact N-O 3.02Å; L600-L602 HydrophobicContact CD2-CD1 4.13Å; L600-L602 HydrophobicContact CD2-CD2 4.06Å; L600-L602 HydrophobicContact CD2-CG 4.16Å; L600-L602 HydrophobicContact CG-CD1 4.43Å; L600-L602 HydrophobicContact CG-CD2 3.96Å; L600-L602 HydrophobicContact CG-CG 3.96Å; L600-L602 PolarHBondContact O-N 3.32Å
603	R	91.6	Very high	89.1	Confident	120 Å²	120	58.8 Å²	58.8	45%	0.453	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.2	-171.7	-56	-163.9	-168.8	155.2	16.7	113.6	P435 S482 R587 D601 H605	P435-R603 WeakPolarHBondContact CG-O 3.37Å; S482-R603 WeakPolarHBondContact O-CA 3.43Å; R587-R603 VanDerWaalsContact CZ-NH2 3.35Å; R587-R603 VanDerWaalsContact NE-NH2 3.13Å; D601-R603 WeakPolarHBondContact OD1-CG 3.47Å; D601-R603 IonicContact OD1-CZ 2.72Å; D601-R603 IonicContact OD1-NE 3.15Å; D601-R603 PolarHBondContact OD1-NE 3.31Å; D601-R603 IonicContact OD2-CZ 2.79Å; D601-R603 IonicContact OD2-NE 3.78Å; D601-R603 PolarHBondContact OD2-NE 3.31Å; D601-R603 VanDerWaalsContact OD2-NE 3.1Å; D601-R603 IonicContact OD2-NH2 2.71Å; D601-R603 PolarHBondContact OD2-NH2 2.9Å; R603-H605 PolarHBondContact O-CE1 3.27Å; R603-H605 PolarHBondContact O-ND1 3.1Å
604	F	92.3	Very high	89.5	Confident	5 Å²	5	56.3 Å²	56.3	2%	0.022	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-83.5	125.8	172.2	-67.1	-110	0	0	0	109.4	Q429 P435 L481 S482 I487 K489 T492	Q429-F604 HydrophobicContact CG-CE1 4.46Å; P435-F604 HydrophobicContact CB-CD1 4.28Å; P435-F604 HydrophobicContact CB-CD2 3.94Å; P435-F604 HydrophobicContact CB-CE1 3.97Å; P435-F604 HydrophobicContact CB-CE2 3.57Å; P435-F604 HydrophobicContact CB-CG 4.26Å; P435-F604 HydrophobicContact CB-CZ 3.59Å; P435-F604 HydrophobicContact CG-CD2 4.34Å; P435-F604 HydrophobicContact CG-CE2 4.44Å; P435-F604 HydrophobicContact CG-CG 4.38Å; L481-F604 HydrophobicContact CB-CE2 3.91Å; L481-F604 HydrophobicContact CD2-CE2 3.67Å; L481-F604 HydrophobicContact CD2-CZ 4.12Å; L481-F604 HydrophobicContact CG-CE2 4.3Å; S482-F604 PolarHBondContact O-N 3.39Å; I487-F604 HydrophobicContact CD1-CB 3.38Å; I487-F604 HydrophobicContact CD1-CG 4.46Å; I487-F604 HydrophobicContact CG1-CB 3.96Å; K489-F604 HydrophobicContact CG-CD2 4.34Å; K489-F604 HydrophobicContact CG-CG 4.37Å; T492-F604 HydrophobicContact CG2-CE1 4.17Å; T492-F604 HydrophobicContact CG2-CZ 3.96Å
605	H	90.7	Very high	89.9	Confident	141 Å²	141	55.2 Å²	55.2	65%	0.653	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-101	159.9	178.2	-63.5	69.1	0	0	0	109.5	R603	R603-H605 PolarHBondContact O-CE1 3.27Å; R603-H605 PolarHBondContact O-ND1 3.1Å
606	R	90.8	Very high	90.2	Very high	126 Å²	126	55.3 Å²	55.3	48%	0.475	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-56.9	132	172.7	-72.4	-178.2	173.5	93.2	3.5	109.7	P484 N640 H641	P484-R606 HydrophobicContact CG-CG 4.3Å; R606-N640 PolarHBondContact NE-O 3.29Å; R606-N640 PolarHBondContact NE-OD1 2.9Å; R606-N640 PolarHBondContact NH2-ND2 3.12Å; R606-N640 PolarHBondContact NH2-OD1 3.29Å; R606-H641 HydrophobicContact CB-CB 4.02Å; R606-H641 HydrophobicContact CG-CB 4.08Å
607	P	90.5	Very high	90.5	Very high	9 Å²	9	58 Å²	58	6%	0.058	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-65.8	160.2	174.2	-8	20.6	0	0	0	110.9	I427 I612 H641 I643	I427-P607 HydrophobicContact CG2-CB 4.31Å; P607-I612 HydrophobicContact CB-CD1 4.13Å; P607-I612 HydrophobicContact CB-CG1 3.92Å; P607-I612 HydrophobicContact CG-CD1 4.09Å; P607-I612 HydrophobicContact CG-CG1 4.16Å; P607-H641 PolarHBondContact O-CD2 3.15Å; P607-I643 HydrophobicContact CG-CD1 3.9Å; P607-I643 HydrophobicContact CG-CG1 4.26Å
608	R	91.4	Very high	90.9	Very high	169 Å²	169	56.5 Å²	56.5	64%	0.638	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-69.4	145.8	172.8	-61.9	-176.5	179.1	-170.4	0.2	110.4	E610 Q611 I612	R608-E610 PolarHBondContact O-N 3.01Å; R608-E610 VanDerWaalsContact O-N 3.16Å; R608-Q611 HydrophobicContact CB-CG 4.15Å; R608-Q611 WeakPolarHBondContact O-CB 3.4Å; R608-Q611 PolarHBondContact O-N 3.29Å; R608-I612 PolarHBondContact O-N 3.23Å
609	V	91.8	Very high	91.2	Very high	36 Å²	36	54.1 Å²	54.1	22%	0.218	26%	0.26	C	S	.	.	H	α-helix	trans	-49.7	-42.8	175.1	-176.2	0	0	0	0	111.8	Q611 I612 K613 T633 I636 H641	V609-Q611 VanDerWaalsContact C-N 3.29Å; V609-Q611 PolarHBondContact O-N 3.32Å; V609-I612 PolarHBondContact O-N 3.25Å; V609-K613 WeakPolarHBondContact O-CB 3.24Å; V609-K613 PolarHBondContact O-N 3.28Å; V609-T633 HydrophobicContact CG1-CG2 3.61Å; V609-I636 HydrophobicContact CB-CG2 4.45Å; V609-I636 HydrophobicContact CG1-CB 4.37Å; V609-I636 HydrophobicContact CG1-CD1 4.11Å; V609-I636 HydrophobicContact CG1-CG2 4.06Å; V609-I636 HydrophobicContact CG2-CG2 4.23Å; V609-H641 VanDerWaalsContact CG2-NE2 3.32Å; V609-H641 WeakPolarHBondContact CG2-NE2 3.28Å
610	E	91.6	Very high	91.3	Very high	136 Å²	136	54 Å²	54	64%	0.636	26%	0.26	S	S	*	.	H	α-helix	trans	-54.3	-39.4	175.2	-57.8	170.4	144.9	0	0	113.6	R608 S614	R608-E610 PolarHBondContact O-N 3.01Å; R608-E610 VanDerWaalsContact O-N 3.16Å; E610-S614 WeakPolarHBondContact O-CB 3.36Å; E610-S614 PolarHBondContact O-N 3.05Å; E610-S614 VanDerWaalsContact O-N 3.13Å; E610-S614 PolarHBondContact O-OG 3.43Å
611	Q	91	Very high	91.3	Very high	69 Å²	69	58.2 Å²	58.2	32%	0.322	29%	0.288	S	S	.	.	H	α-helix	trans	-76.3	-35.1	-177.5	-62.8	172.3	-49.5	0	0	111.4	I427 R608 V609 S614 A615	I427-Q611 HydrophobicContact CG2-CB 4.03Å; R608-Q611 HydrophobicContact CB-CG 4.15Å; R608-Q611 WeakPolarHBondContact O-CB 3.4Å; R608-Q611 PolarHBondContact O-N 3.29Å; V609-Q611 VanDerWaalsContact C-N 3.29Å; V609-Q611 PolarHBondContact O-N 3.32Å; Q611-S614 PolarHBondContact O-OG 3.09Å; Q611-A615 PolarHBondContact O-N 3.13Å
612	I	92.8	Very high	91.3	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-74.2	-47.2	175	-53.6	174.3	0	0	0	109.7	P607 R608 V609 S614 A615 V616 I636 H641 I643 V646	P607-I612 HydrophobicContact CB-CD1 4.13Å; P607-I612 HydrophobicContact CB-CG1 3.92Å; P607-I612 HydrophobicContact CG-CD1 4.09Å; P607-I612 HydrophobicContact CG-CG1 4.16Å; R608-I612 PolarHBondContact O-N 3.23Å; V609-I612 PolarHBondContact O-N 3.25Å; I612-S614 PolarHBondContact O-N 2.83Å; I612-A615 PolarHBondContact O-N 2.85Å; I612-A615 VanDerWaalsContact O-N 3.15Å; I612-V616 HydrophobicContact CG2-CG2 3.96Å; I612-V616 WeakPolarHBondContact O-CG2 3.49Å; I612-V616 PolarHBondContact O-N 3.08Å; I612-I636 HydrophobicContact CB-CD1 3.95Å; I612-I636 HydrophobicContact CB-CG1 4.33Å; I612-I636 HydrophobicContact CB-CG2 4.43Å; I612-I636 HydrophobicContact CD1-CG2 3.96Å; I612-I636 HydrophobicContact CG2-CD1 3.84Å; I612-I636 HydrophobicContact CG2-CG1 3.83Å; I612-I636 HydrophobicContact CG2-CG2 4.49Å; I612-H641 HydrophobicContact CD1-CB 3.9Å; I612-I643 HydrophobicContact CD1-CG1 4.49Å; I612-V646 HydrophobicContact CG2-CG1 4.35Å
613	K	92.9	Very high	91.1	Very high	47 Å²	47	64.3 Å²	64.3	20%	0.204	31%	0.314	C	S	.	.	H	α-helix	trans	-54.9	-46.1	179	-176.5	163.6	177.8	159	0	112.1	V609 L617 P629 D630 L632 T633 I636	V609-K613 WeakPolarHBondContact O-CB 3.24Å; V609-K613 PolarHBondContact O-N 3.28Å; K613-L617 WeakPolarHBondContact O-CB 3.49Å; K613-L617 PolarHBondContact O-N 3.11Å; K613-P629 WeakPolarHBondContact CE-O 3.46Å; K613-P629 VanDerWaalsContact NZ-C 3.34Å; K613-P629 PolarHBondContact NZ-O 2.87Å; K613-D630 IonicContact NZ-OD1 2.67Å; K613-L632 HydrophobicContact CG-CD2 4.06Å; K613-L632 HydrophobicContact CG-CG 4.34Å; K613-T633 HydrophobicContact CD-CG2 4.14Å; K613-T633 PolarHBondContact NZ-OG1 3.47Å; K613-I636 HydrophobicContact CB-CD1 3.93Å
614	S	91.4	Very high	90.8	Very high	75 Å²	75	65.7 Å²	65.7	52%	0.524	33%	0.33	S	S	.	.	H	α-helix	trans	-67.5	-38	177.5	48.6	0	0	0	0	113.6	E610 Q611 I612 S618	E610-S614 WeakPolarHBondContact O-CB 3.36Å; E610-S614 PolarHBondContact O-N 3.05Å; E610-S614 VanDerWaalsContact O-N 3.13Å; E610-S614 PolarHBondContact O-OG 3.43Å; Q611-S614 PolarHBondContact O-OG 3.09Å; I612-S614 PolarHBondContact O-N 2.83Å; S614-S618 PolarHBondContact O-N 3.04Å
615	A	91.6	Very high	90.3	Very high	27 Å²	27	67.5 Å²	67.5	22%	0.223	34%	0.341	C	S	.	.	H	α-helix	trans	-71.4	-44.4	177.5	0	0	0	0	0	112.8	I427 Q611 I612 S618 I619	I427-A615 HydrophobicContact CD1-CB 3.45Å; I427-A615 VanDerWaalsContact CD1-CB 3.45Å; I427-A615 HydrophobicContact CG1-CB 3.74Å; Q611-A615 PolarHBondContact O-N 3.13Å; I612-A615 PolarHBondContact O-N 2.85Å; I612-A615 VanDerWaalsContact O-N 3.15Å; A615-S618 WeakPolarHBondContact O-CB 3.19Å; A615-S618 PolarHBondContact O-N 3.37Å; A615-I619 PolarHBondContact O-N 2.84Å; A615-I619 VanDerWaalsContact O-N 3.12Å
616	V	92.3	Very high	89.9	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-70.7	-36.7	-179.2	176.7	0	0	0	0	111.4	I612 S618 I619 A620 L632 V646 I647 V650	I612-V616 HydrophobicContact CG2-CG2 3.96Å; I612-V616 WeakPolarHBondContact O-CG2 3.49Å; I612-V616 PolarHBondContact O-N 3.08Å; V616-S618 VanDerWaalsContact C-N 3.27Å; V616-S618 PolarHBondContact O-N 2.79Å; V616-I619 WeakPolarHBondContact O-CA 3.26Å; V616-I619 WeakPolarHBondContact O-CB 3.44Å; V616-I619 PolarHBondContact O-N 3.4Å; V616-A620 PolarHBondContact O-N 3.29Å; V616-L632 HydrophobicContact CB-CD1 4.13Å; V616-L632 HydrophobicContact CB-CD2 4.23Å; V616-L632 HydrophobicContact CG1-CD1 3.66Å; V616-L632 HydrophobicContact CG1-CD2 4.2Å; V616-V646 HydrophobicContact CG1-CG1 4.29Å; V616-V646 HydrophobicContact CG2-CG1 3.82Å; V616-I647 HydrophobicContact CG2-CG1 4.47Å; V616-V650 HydrophobicContact CG1-CG2 4.17Å
617	L	91.2	Very high	89.4	Confident	65 Å²	65	62.8 Å²	62.8	34%	0.34	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-36.7	170.5	-171.5	64.8	0	0	0	111.5	K613 I619 A620 C621 L632	K613-L617 WeakPolarHBondContact O-CB 3.49Å; K613-L617 PolarHBondContact O-N 3.11Å; L617-I619 VanDerWaalsContact C-N 3.25Å; L617-I619 PolarHBondContact O-N 3.1Å; L617-A620 PolarHBondContact O-N 3.49Å; L617-C621 PolarHBondContact O-N 3.41Å; L617-C621 PolarHBondContact O-SG 3.18Å; L617-L632 HydrophobicContact CB-CD2 4.37Å
618	S	91.1	Very high	89.2	Confident	60 Å²	60	64.5 Å²	64.5	42%	0.42	34%	0.341	S	S	.	.	H	α-helix	trans	-69.5	-18.6	173.1	-174.1	0	0	0	0	114	S614 A615 V616 K622	S614-S618 PolarHBondContact O-N 3.04Å; A615-S618 WeakPolarHBondContact O-CB 3.19Å; A615-S618 PolarHBondContact O-N 3.37Å; V616-S618 VanDerWaalsContact C-N 3.27Å; V616-S618 PolarHBondContact O-N 2.79Å; S618-K622 WeakPolarHBondContact O-CD 3.37Å; S618-K622 VanDerWaalsContact O-CE 3.26Å; S618-K622 WeakPolarHBondContact O-CE 3.35Å; S618-K622 VanDerWaalsContact O-CG 3.31Å; S618-K622 WeakPolarHBondContact O-CG 3.15Å
619	I	91.6	Very high	88.9	Confident	16 Å²	16	59.5 Å²	59.5	8%	0.082	33%	0.331	C	S	.	.	H	α-helix	trans	-79.7	-51.2	169.4	-71.9	169.1	0	0	0	109.6	W414 Y418 A615 V616 L617 C621 K622 E623 I647	W414-I619 HydrophobicContact CD2-CG2 4.47Å; W414-I619 HydrophobicContact CE3-CG2 3.71Å; W414-I619 HydrophobicContact CZ3-CG2 4.07Å; Y418-I619 HydrophobicContact CD1-CG1 4.48Å; Y418-I619 HydrophobicContact CD2-CB 4.37Å; Y418-I619 HydrophobicContact CD2-CD1 4.18Å; Y418-I619 HydrophobicContact CD2-CG1 3.92Å; Y418-I619 HydrophobicContact CD2-CG2 3.67Å; Y418-I619 HydrophobicContact CE2-CB 4.43Å; Y418-I619 HydrophobicContact CE2-CG1 4.37Å; Y418-I619 HydrophobicContact CE2-CG2 3.6Å; Y418-I619 HydrophobicContact CG-CD1 4.21Å; Y418-I619 HydrophobicContact CG-CG1 3.97Å; A615-I619 PolarHBondContact O-N 2.84Å; A615-I619 VanDerWaalsContact O-N 3.12Å; V616-I619 WeakPolarHBondContact O-CA 3.26Å; V616-I619 WeakPolarHBondContact O-CB 3.44Å; V616-I619 PolarHBondContact O-N 3.4Å; L617-I619 VanDerWaalsContact C-N 3.25Å; L617-I619 PolarHBondContact O-N 3.1Å; I619-C621 VanDerWaalsContact C-N 3.3Å; I619-C621 PolarHBondContact O-N 3.39Å; I619-K622 WeakPolarHBondContact O-CB 3.39Å; I619-K622 PolarHBondContact O-N 2.61Å; I619-E623 PolarHBondContact O-N 2.75Å; I619-I647 HydrophobicContact CD1-CD1 3.89Å; I619-I647 HydrophobicContact CD1-CG1 4.15Å
620	A	89.2	Confident	88.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-54.2	-44.7	178.8	0	0	0	0	0	112.3	V616 L617 K622 E623 N624 V625 L627	V616-A620 PolarHBondContact O-N 3.29Å; L617-A620 PolarHBondContact O-N 3.49Å; A620-K622 PolarHBondContact O-N 2.91Å; A620-E623 CarbonylContact O-C 3.6Å; A620-E623 PolarHBondContact O-N 3.15Å; A620-N624 PolarHBondContact O-N 2.84Å; A620-V625 CarbonylContact C-O 3.58Å; A620-V625 WeakPolarHBondContact CB-O 3.42Å; A620-V625 PolarHBondContact O-N 3.43Å; A620-L627 HydrophobicContact CB-CD1 3.7Å; A620-L627 HydrophobicContact CB-CG 4.1Å
621	C	89.9	Confident	88.2	Confident	88 Å²	88	56.4 Å²	56.4	60%	0.595	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.5	175.8	-65.7	0	0	0	0	115.1	L617 I619	L617-C621 PolarHBondContact O-N 3.41Å; L617-C621 PolarHBondContact O-SG 3.18Å; I619-C621 VanDerWaalsContact C-N 3.3Å; I619-C621 PolarHBondContact O-N 3.39Å
622	K	90.4	Very high	88.1	Confident	116 Å²	116	53.2 Å²	53.2	50%	0.504	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-30.2	174.7	-68.6	168.9	-168.9	164.7	0	112.5	Y418 S618 I619 A620	Y418-K622 HydrophobicContact CD1-CD 4.46Å; Y418-K622 HydrophobicContact CE1-CD 3.61Å; Y418-K622 VanDerWaalsContact OH-CB 3.32Å; Y418-K622 WeakPolarHBondContact OH-CB 3.19Å; S618-K622 WeakPolarHBondContact O-CD 3.37Å; S618-K622 VanDerWaalsContact O-CE 3.26Å; S618-K622 WeakPolarHBondContact O-CE 3.35Å; S618-K622 VanDerWaalsContact O-CG 3.31Å; S618-K622 WeakPolarHBondContact O-CG 3.15Å; I619-K622 WeakPolarHBondContact O-CB 3.39Å; I619-K622 PolarHBondContact O-N 2.61Å; A620-K622 PolarHBondContact O-N 2.91Å
623	E	87.8	Confident	87.9	Confident	43 Å²	43	54.7 Å²	54.7	20%	0.201	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	3.5	173.2	-55.1	-69.3	-176	0	0	111.7	W414 K417 Y418 I619 A620 V625	W414-E623 HydrophobicContact CD2-CG 4.19Å; W414-E623 HydrophobicContact CE3-CG 4.42Å; W414-E623 HydrophobicContact CH2-CB 3.85Å; W414-E623 HydrophobicContact CH2-CG 3.82Å; W414-E623 HydrophobicContact CZ2-CB 3.74Å; W414-E623 HydrophobicContact CZ2-CG 3.54Å; W414-E623 HydrophobicContact CZ3-CG 4.23Å; K417-E623 WeakPolarHBondContact CD-OE1 3.42Å; K417-E623 VanDerWaalsContact CE-OE1 3.22Å; K417-E623 WeakPolarHBondContact CE-OE1 3.5Å; K417-E623 IonicContact NZ-OE1 2.69Å; K417-E623 PolarHBondContact NZ-OE1 3.4Å; K417-E623 IonicContact NZ-OE2 3.72Å; K417-E623 PolarHBondContact NZ-OE2 3.1Å; Y418-E623 HydrophobicContact CE2-CG 4.17Å; Y418-E623 WeakPolarHBondContact CE2-OE1 3.34Å; Y418-E623 PolarHBondContact OH-OE1 2.97Å; I619-E623 PolarHBondContact O-N 2.75Å; A620-E623 CarbonylContact O-C 3.6Å; A620-E623 PolarHBondContact O-N 3.15Å; E623-V625 VanDerWaalsContact C-N 3.3Å; E623-V625 HydrophobicContact CB-CG2 4.42Å; E623-V625 PolarHBondContact O-N 3.42Å
624	N	84.2	Confident	87.6	Confident	149 Å²	149	55.6 Å²	55.6	80%	0.797	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	24.6	179.9	-47.8	-81.6	0	0	0	114.8	A620	A620-N624 PolarHBondContact O-N 2.84Å
625	V	82.5	Confident	87.4	Confident	43 Å²	43	52.2 Å²	52.2	26%	0.261	30%	0.295	S	S	.	.			trans	-97.1	130.6	176.2	-169.6	0	0	0	0	110.6	A620 E623 L627 C654	A620-V625 CarbonylContact C-O 3.58Å; A620-V625 WeakPolarHBondContact CB-O 3.42Å; A620-V625 PolarHBondContact O-N 3.43Å; E623-V625 VanDerWaalsContact C-N 3.3Å; E623-V625 HydrophobicContact CB-CG2 4.42Å; E623-V625 PolarHBondContact O-N 3.42Å; V625-L627 HydrophobicContact CG1-CD2 3.88Å; V625-L627 HydrophobicContact CG1-CG 4.09Å; V625-C654 HydrophobicContact CG2-CB 4.19Å
626	N	82	Confident	87.4	Confident	148 Å²	148	50.9 Å²	50.9	79%	0.791	28%	0.284	S	S	*	.			trans	-93.4	109.5	172.7	-175.8	26.1	0	0	0	110
627	L	81.1	Confident	87.2	Confident	20 Å²	20	54.8 Å²	54.8	11%	0.105	31%	0.305	C	S	.	.			trans	-108.2	123.5	179.4	-64.7	175.8	0	0	0	110.7	A620 V625 V650	A620-L627 HydrophobicContact CB-CD1 3.7Å; A620-L627 HydrophobicContact CB-CG 4.1Å; V625-L627 HydrophobicContact CG1-CD2 3.88Å; V625-L627 HydrophobicContact CG1-CG 4.09Å; L627-V650 HydrophobicContact CD1-CG1 3.5Å; L627-V650 VanDerWaalsContact CD1-CG1 3.5Å
628	P	84.5	Confident	86.9	Confident	44 Å²	44	52.5 Å²	52.5	29%	0.286	29%	0.294	S	S	.	.			trans	-56.5	133.2	174.3	-25.4	34.2	0	0	0	111.4	D630 V631 L632	P628-D630 PolarHBondContact O-N 3.39Å; P628-D630 VanDerWaalsContact O-N 3.11Å; P628-V631 HydrophobicContact CB-CG2 4.15Å; P628-V631 PolarHBondContact O-N 2.86Å; P628-L632 PolarHBondContact O-N 3Å
629	P	85.8	Confident	86.7	Confident	64 Å²	64	49.6 Å²	49.6	42%	0.416	27%	0.274	S	S	.	.	H	α-helix	trans	-60.6	-29.8	-173.5	24	-33.9	0	0	0	112.3	K613 L632 T633	K613-P629 WeakPolarHBondContact CE-O 3.46Å; K613-P629 VanDerWaalsContact NZ-C 3.34Å; K613-P629 PolarHBondContact NZ-O 2.87Å; P629-L632 PolarHBondContact O-N 3.35Å; P629-T633 PolarHBondContact O-N 2.92Å; P629-T633 PolarHBondContact O-OG1 2.86Å
630	D	84.8	Confident	86.5	Confident	103 Å²	103	50.6 Å²	50.6	55%	0.551	28%	0.279	S	S	*	.	H	α-helix	trans	-83.8	-30.8	-170.2	-51.8	-38.3	0	0	0	112.4	K613 P628 T633 N634	K613-D630 IonicContact NZ-OD1 2.67Å; P628-D630 PolarHBondContact O-N 3.39Å; P628-D630 VanDerWaalsContact O-N 3.11Å; D630-T633 VanDerWaalsContact C-OG1 3.26Å; D630-T633 WeakPolarHBondContact CA-OG1 3.48Å; D630-T633 PolarHBondContact O-N 3.44Å; D630-T633 PolarHBondContact O-OG1 3.06Å; D630-N634 PolarHBondContact O-N 3.04Å; D630-N634 PolarHBondContact O-OD1 3.32Å
631	V	84.3	Confident	86.5	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.024	29%	0.288	C	S	.	.	H	α-helix	trans	-68.7	-39.5	169.4	-171.3	0	0	0	0	110	P628 T633 N634 I635 L664 K665	P628-V631 HydrophobicContact CB-CG2 4.15Å; P628-V631 PolarHBondContact O-N 2.86Å; V631-T633 VanDerWaalsContact C-N 3.26Å; V631-T633 PolarHBondContact O-N 2.89Å; V631-N634 PolarHBondContact O-N 3.41Å; V631-N634 VanDerWaalsContact O-N 3.09Å; V631-I635 HydrophobicContact CG1-CD1 4.05Å; V631-I635 HydrophobicContact CG1-CG1 4.42Å; V631-I635 VanDerWaalsContact O-CG1 3.29Å; V631-I635 WeakPolarHBondContact O-CG1 3.24Å; V631-I635 PolarHBondContact O-N 3.28Å; V631-L664 HydrophobicContact CG1-CB 4.01Å; V631-L664 HydrophobicContact CG1-CD2 3.79Å; V631-L664 HydrophobicContact CG1-CG 3.63Å; V631-K665 HydrophobicContact CG1-CG 4.49Å; V631-K665 HydrophobicContact CG2-CG 4.24Å
632	L	88	Confident	86.7	Confident	2 Å²	2	49 Å²	49	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-31.7	174.8	179.7	55.5	0	0	0	113	K613 V616 L617 P628 P629 I636 V646 V650	K613-L632 HydrophobicContact CG-CD2 4.06Å; K613-L632 HydrophobicContact CG-CG 4.34Å; V616-L632 HydrophobicContact CB-CD1 4.13Å; V616-L632 HydrophobicContact CB-CD2 4.23Å; V616-L632 HydrophobicContact CG1-CD1 3.66Å; V616-L632 HydrophobicContact CG1-CD2 4.2Å; L617-L632 HydrophobicContact CB-CD2 4.37Å; P628-L632 PolarHBondContact O-N 3Å; P629-L632 PolarHBondContact O-N 3.35Å; L632-I636 HydrophobicContact CD1-CD1 4.12Å; L632-I636 HydrophobicContact CD1-CG1 4.27Å; L632-I636 HydrophobicContact CG-CD1 4.08Å; L632-I636 VanDerWaalsContact O-CD1 3.31Å; L632-I636 WeakPolarHBondContact O-CD1 3.36Å; L632-I636 WeakPolarHBondContact O-CG1 3.3Å; L632-I636 PolarHBondContact O-N 3.4Å; L632-I636 VanDerWaalsContact O-N 3.12Å; L632-V646 HydrophobicContact CD1-CG1 4.4Å; L632-V650 HydrophobicContact CD1-CG2 4.43Å
633	T	89.7	Confident	86.8	Confident	32 Å²	32	44.2 Å²	44.2	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-51.5	169.8	7.9	0	0	0	0	111.6	V609 K613 P629 D630 V631 I635 I636 D637	V609-T633 HydrophobicContact CG1-CG2 3.61Å; K613-T633 HydrophobicContact CD-CG2 4.14Å; K613-T633 PolarHBondContact NZ-OG1 3.47Å; P629-T633 PolarHBondContact O-N 2.92Å; P629-T633 PolarHBondContact O-OG1 2.86Å; D630-T633 VanDerWaalsContact C-OG1 3.26Å; D630-T633 WeakPolarHBondContact CA-OG1 3.48Å; D630-T633 PolarHBondContact O-N 3.44Å; D630-T633 PolarHBondContact O-OG1 3.06Å; V631-T633 VanDerWaalsContact C-N 3.26Å; V631-T633 PolarHBondContact O-N 2.89Å; T633-I635 PolarHBondContact O-N 2.89Å; T633-I636 PolarHBondContact O-N 2.93Å; T633-D637 PolarHBondContact O-N 2.83Å
634	N	85.8	Confident	87	Confident	65 Å²	65	48.6 Å²	48.6	35%	0.348	26%	0.258	S	S	.	.	H	α-helix	trans	-59.3	-36.4	179.5	-63.7	5.2	0	0	0	112.1	D630 V631 S638	D630-N634 PolarHBondContact O-N 3.04Å; D630-N634 PolarHBondContact O-OD1 3.32Å; V631-N634 PolarHBondContact O-N 3.41Å; V631-N634 VanDerWaalsContact O-N 3.09Å; N634-S638 VanDerWaalsContact O-CB 3.25Å; N634-S638 WeakPolarHBondContact O-CB 3.34Å; N634-S638 PolarHBondContact O-N 3.13Å; N634-S638 PolarHBondContact O-OG 3.35Å
635	I	88.3	Confident	87.4	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-44.4	174.9	-68	169.1	0	0	0	111.5	V631 T633 S639 V646 V650 W653 A668	V631-I635 HydrophobicContact CG1-CD1 4.05Å; V631-I635 HydrophobicContact CG1-CG1 4.42Å; V631-I635 VanDerWaalsContact O-CG1 3.29Å; V631-I635 WeakPolarHBondContact O-CG1 3.24Å; V631-I635 PolarHBondContact O-N 3.28Å; T633-I635 PolarHBondContact O-N 2.89Å; I635-S639 VanDerWaalsContact O-CB 3.24Å; I635-S639 WeakPolarHBondContact O-CB 3.5Å; I635-S639 PolarHBondContact O-N 3.1Å; I635-S639 PolarHBondContact O-OG 2.94Å; I635-V646 HydrophobicContact CG2-CG1 4.2Å; I635-V650 HydrophobicContact CD1-CG2 4.38Å; I635-V650 HydrophobicContact CG2-CG2 4.19Å; I635-W653 HydrophobicContact CB-CZ3 4.2Å; I635-W653 HydrophobicContact CD1-CE3 3.82Å; I635-W653 HydrophobicContact CD1-CH2 4.38Å; I635-W653 HydrophobicContact CD1-CZ3 3.47Å; I635-W653 VanDerWaalsContact CD1-CZ3 3.47Å; I635-W653 HydrophobicContact CG1-CE3 4.29Å; I635-W653 HydrophobicContact CG1-CH2 3.95Å; I635-W653 HydrophobicContact CG1-CZ3 3.45Å; I635-W653 VanDerWaalsContact CG1-CZ3 3.45Å; I635-W653 HydrophobicContact CG2-CH2 4.41Å; I635-W653 HydrophobicContact CG2-CZ3 3.74Å; I635-A668 HydrophobicContact CG1-CB 3.96Å
636	I	90.8	Very high	87.8	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.2	-42.1	179.6	-69.3	161.3	0	0	0	111.1	V609 I612 K613 L632 T633 S639 N640 H641 V646	V609-I636 HydrophobicContact CB-CG2 4.45Å; V609-I636 HydrophobicContact CG1-CB 4.37Å; V609-I636 HydrophobicContact CG1-CD1 4.11Å; V609-I636 HydrophobicContact CG1-CG2 4.06Å; V609-I636 HydrophobicContact CG2-CG2 4.23Å; I612-I636 HydrophobicContact CB-CD1 3.95Å; I612-I636 HydrophobicContact CB-CG1 4.33Å; I612-I636 HydrophobicContact CB-CG2 4.43Å; I612-I636 HydrophobicContact CD1-CG2 3.96Å; I612-I636 HydrophobicContact CG2-CD1 3.84Å; I612-I636 HydrophobicContact CG2-CG1 3.83Å; I612-I636 HydrophobicContact CG2-CG2 4.49Å; K613-I636 HydrophobicContact CB-CD1 3.93Å; L632-I636 HydrophobicContact CD1-CD1 4.12Å; L632-I636 HydrophobicContact CD1-CG1 4.27Å; L632-I636 HydrophobicContact CG-CD1 4.08Å; L632-I636 VanDerWaalsContact O-CD1 3.31Å; L632-I636 WeakPolarHBondContact O-CD1 3.36Å; L632-I636 WeakPolarHBondContact O-CG1 3.3Å; L632-I636 PolarHBondContact O-N 3.4Å; L632-I636 VanDerWaalsContact O-N 3.12Å; T633-I636 PolarHBondContact O-N 2.93Å; I636-S639 PolarHBondContact O-N 2.78Å; I636-N640 PolarHBondContact O-N 3.15Å; I636-H641 PolarHBondContact O-N 3.39Å; I636-V646 HydrophobicContact CB-CG2 4.5Å; I636-V646 HydrophobicContact CG1-CG1 4.1Å; I636-V646 HydrophobicContact CG1-CG2 4.11Å
637	D	88	Confident	88.3	Confident	85 Å²	85	35.4 Å²	35.4	46%	0.455	18%	0.184	S	C	.	.	H	α-helix	trans	-68.8	-44.7	179.2	-69	-33.4	0	0	0	111.5	T633 S639 N640 H641	T633-D637 PolarHBondContact O-N 2.83Å; D637-S639 VanDerWaalsContact C-N 3.29Å; D637-S639 PolarHBondContact O-N 2.82Å; D637-N640 WeakPolarHBondContact O-CA 3.3Å; D637-N640 PolarHBondContact O-N 3.17Å; D637-H641 IonicContact OD1-CE1 2.67Å
638	S	86.2	Confident	88.8	Confident	16 Å²	16	37.5 Å²	37.5	11%	0.112	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-32.6	176.3	-58	0	0	0	0	112.8	N634 N640 A668 K673	N634-S638 VanDerWaalsContact O-CB 3.25Å; N634-S638 WeakPolarHBondContact O-CB 3.34Å; N634-S638 PolarHBondContact O-N 3.13Å; N634-S638 PolarHBondContact O-OG 3.35Å; S638-N640 VanDerWaalsContact C-N 3.26Å; S638-N640 PolarHBondContact O-N 3.5Å; S638-A668 WeakPolarHBondContact CB-O 3.34Å; S638-A668 PolarHBondContact OG-O 3.18Å; S638-A668 VanDerWaalsContact OG-O 3.09Å; S638-K673 PolarHBondContact O-N 2.61Å
639	S	86.6	Confident	89	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	0.4	173	-51.9	0	0	0	0	113.6	I635 I636 D637 H641 D642 V646 N649	I635-S639 VanDerWaalsContact O-CB 3.24Å; I635-S639 WeakPolarHBondContact O-CB 3.5Å; I635-S639 PolarHBondContact O-N 3.1Å; I635-S639 PolarHBondContact O-OG 2.94Å; I636-S639 PolarHBondContact O-N 2.78Å; D637-S639 VanDerWaalsContact C-N 3.29Å; D637-S639 PolarHBondContact O-N 2.82Å; S639-H641 VanDerWaalsContact C-N 3.29Å; S639-H641 PolarHBondContact O-N 3.36Å; S639-D642 WeakPolarHBondContact O-CB 3.43Å; S639-D642 PolarHBondContact O-N 2.82Å; S639-V646 VanDerWaalsContact CB-CG2 3.48Å; S639-N649 PolarHBondContact OG-ND2 3.33Å
640	N	86.5	Confident	89.1	Confident	37 Å²	37	33.5 Å²	33.5	20%	0.198	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	42.5	-178.3	-169.2	11.9	0	0	0	114.3	R606 I636 D637 S638 D642 L675	R606-N640 PolarHBondContact NE-O 3.29Å; R606-N640 PolarHBondContact NE-OD1 2.9Å; R606-N640 PolarHBondContact NH2-ND2 3.12Å; R606-N640 PolarHBondContact NH2-OD1 3.29Å; I636-N640 PolarHBondContact O-N 3.15Å; D637-N640 WeakPolarHBondContact O-CA 3.3Å; D637-N640 PolarHBondContact O-N 3.17Å; S638-N640 VanDerWaalsContact C-N 3.26Å; S638-N640 PolarHBondContact O-N 3.5Å; N640-D642 PolarHBondContact O-N 2.96Å; N640-L675 HydrophobicContact CB-CD1 3.83Å; N640-L675 WeakPolarHBondContact ND2-CD1 3.34Å; N640-L675 WeakPolarHBondContact ND2-CD2 3.5Å
641	H	90.3	Very high	89.3	Confident	38 Å²	38	30.3 Å²	30.3	18%	0.176	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	16.8	179.2	-48.3	73.5	0	0	0	115.5	R606 P607 V609 I612 I636 D637 S639 I643	R606-H641 HydrophobicContact CB-CB 4.02Å; R606-H641 HydrophobicContact CG-CB 4.08Å; P607-H641 PolarHBondContact O-CD2 3.15Å; V609-H641 VanDerWaalsContact CG2-NE2 3.32Å; V609-H641 WeakPolarHBondContact CG2-NE2 3.28Å; I612-H641 HydrophobicContact CD1-CB 3.9Å; I636-H641 PolarHBondContact O-N 3.39Å; D637-H641 IonicContact OD1-CE1 2.67Å; S639-H641 VanDerWaalsContact C-N 3.29Å; S639-H641 PolarHBondContact O-N 3.36Å; H641-I643 PolarHBondContact O-N 3.19Å
642	D	92.1	Very high	89.3	Confident	15 Å²	15	34.9 Å²	34.9	8%	0.08	17%	0.173	C	C	.	.			trans	-75.4	103.5	172.7	-174.4	-38.4	0	0	0	109.9	G486 S639 N640 R644 Q645 V646 K673	G486-D642 WeakPolarHBondContact CA-OD1 3.43Å; S639-D642 WeakPolarHBondContact O-CB 3.43Å; S639-D642 PolarHBondContact O-N 2.82Å; N640-D642 PolarHBondContact O-N 2.96Å; D642-R644 VanDerWaalsContact C-N 3.28Å; D642-R644 PolarHBondContact O-N 3.46Å; D642-R644 WeakPolarHBondContact OD1-CB 3.18Å; D642-R644 PolarHBondContact OD1-N 2.91Å; D642-Q645 HydrophobicContact CB-CB 3.93Å; D642-Q645 PolarHBondContact O-N 3.37Å; D642-Q645 PolarHBondContact OD1-N 2.75Å; D642-V646 WeakPolarHBondContact O-CG2 3.34Å; D642-V646 PolarHBondContact O-N 2.78Å; D642-K673 IonicContact OD2-NZ 3.21Å; D642-K673 PolarHBondContact OD2-NZ 3.36Å
643	I	92.8	Very high	88.9	Confident	17 Å²	17	35.6 Å²	35.6	9%	0.087	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-37.7	-173.3	-47	176	0	0	0	111.4	I427 P607 I612 H641 V646 I647	I427-I643 HydrophobicContact CB-CD1 4.09Å; I427-I643 HydrophobicContact CD1-CD1 4.16Å; I427-I643 HydrophobicContact CD1-CG2 3.86Å; I427-I643 HydrophobicContact CG2-CD1 4.31Å; P607-I643 HydrophobicContact CG-CD1 3.9Å; P607-I643 HydrophobicContact CG-CG1 4.26Å; I612-I643 HydrophobicContact CD1-CG1 4.49Å; H641-I643 PolarHBondContact O-N 3.19Å; I643-V646 PolarHBondContact O-N 3.48Å; I643-I647 HydrophobicContact CG2-CD1 4.07Å; I643-I647 WeakPolarHBondContact O-CG1 3.24Å; I643-I647 PolarHBondContact O-N 3.31Å
644	R	93.1	Very high	88.5	Confident	134 Å²	134	35.7 Å²	35.7	51%	0.506	18%	0.177	S	C	.	.	H	α-helix	trans	-64.8	-45.7	178.5	-176.3	-172.9	-72	153.5	-8.3	110.2	V415 D642 I647 N648	V415-R644 HydrophobicContact CG1-CG 4.08Å; V415-R644 HydrophobicContact CG2-CG 3.92Å; D642-R644 VanDerWaalsContact C-N 3.28Å; D642-R644 PolarHBondContact O-N 3.46Å; D642-R644 WeakPolarHBondContact OD1-CB 3.18Å; D642-R644 PolarHBondContact OD1-N 2.91Å; R644-I647 PolarHBondContact O-N 2.67Å; R644-N648 PolarHBondContact O-N 3.28Å
645	Q	91.2	Very high	88.2	Confident	45 Å²	45	37 Å²	37	21%	0.21	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-39.3	177.1	-171.1	170.6	-0	0	0	112.3	D642 I647 N648 N649 K673	D642-Q645 HydrophobicContact CB-CB 3.93Å; D642-Q645 PolarHBondContact O-N 3.37Å; D642-Q645 PolarHBondContact OD1-N 2.75Å; Q645-I647 VanDerWaalsContact C-N 3.35Å; Q645-I647 PolarHBondContact O-N 2.7Å; Q645-N648 PolarHBondContact O-N 3.33Å; Q645-N649 VanDerWaalsContact O-CB 3.29Å; Q645-N649 WeakPolarHBondContact O-CB 3.4Å; Q645-N649 PolarHBondContact O-N 3.29Å; Q645-N649 PolarHBondContact O-OD1 3.44Å; Q645-K673 VanDerWaalsContact OE1-CD 3.25Å; Q645-K673 VanDerWaalsContact OE1-CE 3.25Å
646	V	91.7	Very high	87.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-45.3	174.8	172.5	0	0	0	0	111	I612 V616 L632 I635 I636 S639 D642 I643 V650	I612-V646 HydrophobicContact CG2-CG1 4.35Å; V616-V646 HydrophobicContact CG1-CG1 4.29Å; V616-V646 HydrophobicContact CG2-CG1 3.82Å; L632-V646 HydrophobicContact CD1-CG1 4.4Å; I635-V646 HydrophobicContact CG2-CG1 4.2Å; I636-V646 HydrophobicContact CB-CG2 4.5Å; I636-V646 HydrophobicContact CG1-CG1 4.1Å; I636-V646 HydrophobicContact CG1-CG2 4.11Å; S639-V646 VanDerWaalsContact CB-CG2 3.48Å; D642-V646 WeakPolarHBondContact O-CG2 3.34Å; D642-V646 PolarHBondContact O-N 2.78Å; I643-V646 PolarHBondContact O-N 3.48Å; V646-V650 HydrophobicContact CG1-CG2 4.45Å; V646-V650 WeakPolarHBondContact O-CB 3.22Å; V646-V650 VanDerWaalsContact O-CG2 3.22Å; V646-V650 WeakPolarHBondContact O-CG2 3.47Å; V646-V650 PolarHBondContact O-N 2.9Å
647	I	92.4	Very high	86	Confident	18 Å²	18	42.7 Å²	42.7	9%	0.092	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-44.4	177.7	-67.8	169.1	0	0	0	111	W414 V415 V616 I619 I643 R644 Q645 V650 Q651	W414-I647 HydrophobicContact CB-CG2 3.55Å; V415-I647 HydrophobicContact CG2-CB 3.99Å; V415-I647 HydrophobicContact CG2-CG2 3.73Å; V616-I647 HydrophobicContact CG2-CG1 4.47Å; I619-I647 HydrophobicContact CD1-CD1 3.89Å; I619-I647 HydrophobicContact CD1-CG1 4.15Å; I643-I647 HydrophobicContact CG2-CD1 4.07Å; I643-I647 WeakPolarHBondContact O-CG1 3.24Å; I643-I647 PolarHBondContact O-N 3.31Å; R644-I647 PolarHBondContact O-N 2.67Å; Q645-I647 VanDerWaalsContact C-N 3.35Å; Q645-I647 PolarHBondContact O-N 2.7Å; I647-V650 PolarHBondContact O-N 2.96Å; I647-Q651 WeakPolarHBondContact O-CB 3.47Å; I647-Q651 PolarHBondContact O-N 2.94Å
648	N	91.3	Very high	84.6	Confident	64 Å²	64	47.5 Å²	47.5	34%	0.342	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-45.9	178.2	-76.2	2	0	0	0	112.6	V415 R644 Q645 V650 Q651 M652	V415-N648 WeakPolarHBondContact CG2-OD1 3.42Å; R644-N648 PolarHBondContact O-N 3.28Å; Q645-N648 PolarHBondContact O-N 3.33Å; N648-V650 VanDerWaalsContact C-N 3.34Å; N648-V650 PolarHBondContact O-N 2.79Å; N648-Q651 PolarHBondContact O-N 2.89Å; N648-M652 WeakPolarHBondContact O-CB 3.38Å; N648-M652 PolarHBondContact O-N 3.03Å
649	N	88.6	Confident	83.3	Confident	20 Å²	20	49.7 Å²	49.7	11%	0.107	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-44.5	178.3	-71.8	8.4	0	0	0	110.4	S639 Q645 M652 W653	S639-N649 PolarHBondContact OG-ND2 3.33Å; Q645-N649 VanDerWaalsContact O-CB 3.29Å; Q645-N649 WeakPolarHBondContact O-CB 3.4Å; Q645-N649 PolarHBondContact O-N 3.29Å; Q645-N649 PolarHBondContact O-OD1 3.44Å; N649-M652 WeakPolarHBondContact O-CB 3.47Å; N649-M652 PolarHBondContact O-N 3.31Å; N649-W653 VanDerWaalsContact C-CE3 3.47Å; N649-W653 HydrophobicContact CB-CE3 4.08Å; N649-W653 HydrophobicContact CB-CH2 3.9Å; N649-W653 HydrophobicContact CB-CZ3 3.55Å; N649-W653 VanDerWaalsContact O-CD2 3.3Å; N649-W653 PolarHBondContact O-N 3.29Å
650	V	88.1	Confident	82.4	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.024	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-45.3	175.1	172.6	0	0	0	0	111.4	W414 V616 L627 L632 I635 V646 I647 N648 M652 W653 C654	W414-V650 HydrophobicContact CZ3-CG1 3.94Å; V616-V650 HydrophobicContact CG1-CG2 4.17Å; L627-V650 HydrophobicContact CD1-CG1 3.5Å; L627-V650 VanDerWaalsContact CD1-CG1 3.5Å; L632-V650 HydrophobicContact CD1-CG2 4.43Å; I635-V650 HydrophobicContact CD1-CG2 4.38Å; I635-V650 HydrophobicContact CG2-CG2 4.19Å; V646-V650 HydrophobicContact CG1-CG2 4.45Å; V646-V650 WeakPolarHBondContact O-CB 3.22Å; V646-V650 VanDerWaalsContact O-CG2 3.22Å; V646-V650 WeakPolarHBondContact O-CG2 3.47Å; V646-V650 PolarHBondContact O-N 2.9Å; I647-V650 PolarHBondContact O-N 2.96Å; N648-V650 VanDerWaalsContact C-N 3.34Å; N648-V650 PolarHBondContact O-N 2.79Å; V650-M652 VanDerWaalsContact C-N 3.29Å; V650-M652 PolarHBondContact O-N 2.91Å; V650-W653 PolarHBondContact O-N 3Å; V650-C654 VanDerWaalsContact O-CB 3.32Å; V650-C654 WeakPolarHBondContact O-CB 3.3Å; V650-C654 PolarHBondContact O-N 3.22Å; V650-C654 PolarHBondContact O-SG 3.29Å
651	Q	89.1	Confident	81.5	Confident	37 Å²	37	57.2 Å²	57.2	17%	0.173	32%	0.317	C	S	.	.	H	α-helix	trans	-57.8	-41.9	175.5	-179.1	177	-4.8	0	0	111.5	W414 I647 N648 S655	W414-Q651 HydrophobicContact CB-CB 4.44Å; W414-Q651 VanDerWaalsContact CD1-CD 3.43Å; W414-Q651 HydrophobicContact CD2-CB 3.76Å; W414-Q651 HydrophobicContact CD2-CG 3.84Å; W414-Q651 HydrophobicContact CE3-CB 3.93Å; W414-Q651 HydrophobicContact CE3-CG 4.49Å; W414-Q651 HydrophobicContact CG-CB 4.01Å; W414-Q651 HydrophobicContact CG-CG 3.86Å; W414-Q651 HydrophobicContact CZ2-CG 4.44Å; W414-Q651 HydrophobicContact CZ3-CB 4.47Å; I647-Q651 WeakPolarHBondContact O-CB 3.47Å; I647-Q651 PolarHBondContact O-N 2.94Å; N648-Q651 PolarHBondContact O-N 2.89Å; Q651-S655 WeakPolarHBondContact O-CB 3.35Å; Q651-S655 PolarHBondContact O-N 3.22Å; Q651-S655 VanDerWaalsContact O-N 3.1Å; Q651-S655 PolarHBondContact O-OG 3Å
652	M	85.2	Confident	80.6	Confident	99 Å²	99	62 Å²	62	49%	0.488	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-55.8	177.2	-176.6	-177.8	74.6	0	0	111.2	N648 N649 V650 C654 S655 S656	N648-M652 WeakPolarHBondContact O-CB 3.38Å; N648-M652 PolarHBondContact O-N 3.03Å; N649-M652 WeakPolarHBondContact O-CB 3.47Å; N649-M652 PolarHBondContact O-N 3.31Å; V650-M652 VanDerWaalsContact C-N 3.29Å; V650-M652 PolarHBondContact O-N 2.91Å; M652-C654 VanDerWaalsContact C-N 3.34Å; M652-C654 PolarHBondContact O-N 2.96Å; M652-S655 WeakPolarHBondContact O-CA 3.31Å; M652-S655 WeakPolarHBondContact O-CB 3.12Å; M652-S655 PolarHBondContact O-N 3.06Å; M652-S656 PolarHBondContact O-N 2.67Å; M652-S656 VanDerWaalsContact O-N 3.09Å; M652-S656 PolarHBondContact O-OG 3.41Å
653	W	79.7	Confident	79.7	Confident	17 Å²	17	62.5 Å²	62.5	6%	0.064	35%	0.348	C	S	.	.	H	α-helix	trans	-64.8	-35	179.7	-66	-54.4	0	0	0	113.4	I635 N649 V650 S655 S656 L664 D667 A668 A671	I635-W653 HydrophobicContact CB-CZ3 4.2Å; I635-W653 HydrophobicContact CD1-CE3 3.82Å; I635-W653 HydrophobicContact CD1-CH2 4.38Å; I635-W653 HydrophobicContact CD1-CZ3 3.47Å; I635-W653 VanDerWaalsContact CD1-CZ3 3.47Å; I635-W653 HydrophobicContact CG1-CE3 4.29Å; I635-W653 HydrophobicContact CG1-CH2 3.95Å; I635-W653 HydrophobicContact CG1-CZ3 3.45Å; I635-W653 VanDerWaalsContact CG1-CZ3 3.45Å; I635-W653 HydrophobicContact CG2-CH2 4.41Å; I635-W653 HydrophobicContact CG2-CZ3 3.74Å; N649-W653 VanDerWaalsContact C-CE3 3.47Å; N649-W653 HydrophobicContact CB-CE3 4.08Å; N649-W653 HydrophobicContact CB-CH2 3.9Å; N649-W653 HydrophobicContact CB-CZ3 3.55Å; N649-W653 VanDerWaalsContact O-CD2 3.3Å; N649-W653 PolarHBondContact O-N 3.29Å; V650-W653 PolarHBondContact O-N 3Å; W653-S655 PolarHBondContact O-N 3.35Å; W653-S656 PolarHBondContact O-N 3.19Å; W653-L664 HydrophobicContact CB-CD1 3.62Å; W653-L664 HydrophobicContact CD2-CD1 3.52Å; W653-L664 HydrophobicContact CE3-CD1 3.98Å; W653-L664 HydrophobicContact CG-CD1 3.36Å; W653-D667 HydrophobicContact CZ2-CB 4.02Å; W653-A668 HydrophobicContact CH2-CB 4.14Å; W653-A671 HydrophobicContact CH2-CB 4.15Å; W653-A671 HydrophobicContact CZ2-CB 3.85Å
654	C	81.2	Confident	78.6	Confident	34 Å²	34	62.3 Å²	62.3	23%	0.23	35%	0.347	C	S	.	.	H	α-helix	trans	-63.8	-24.5	172.5	-64.9	0	0	0	0	112.5	W414 V625 V650 M652	W414-C654 HydrophobicContact CH2-CB 3.81Å; W414-C654 HydrophobicContact CZ2-CB 4.31Å; V625-C654 HydrophobicContact CG2-CB 4.19Å; V650-C654 VanDerWaalsContact O-CB 3.32Å; V650-C654 WeakPolarHBondContact O-CB 3.3Å; V650-C654 PolarHBondContact O-N 3.22Å; V650-C654 PolarHBondContact O-SG 3.29Å; M652-C654 VanDerWaalsContact C-N 3.34Å; M652-C654 PolarHBondContact O-N 2.96Å
655	S	78.5	Confident	77.6	Confident	93 Å²	93	59.9 Å²	59.9	65%	0.65	34%	0.34	S	S	*	.	H	α-helix	trans	-84.8	-27.3	176.6	-53.9	0	0	0	0	112.7	Q651 M652 W653 G657	Q651-S655 WeakPolarHBondContact O-CB 3.35Å; Q651-S655 PolarHBondContact O-N 3.22Å; Q651-S655 VanDerWaalsContact O-N 3.1Å; Q651-S655 PolarHBondContact O-OG 3Å; M652-S655 WeakPolarHBondContact O-CA 3.31Å; M652-S655 WeakPolarHBondContact O-CB 3.12Å; M652-S655 PolarHBondContact O-N 3.06Å; W653-S655 PolarHBondContact O-N 3.35Å; S655-G657 PolarHBondContact O-N 3.26Å
656	S	71.9	Confident	76.8	Confident	83 Å²	83	64.2 Å²	64.2	58%	0.58	36%	0.362	S	S	*	.	S	Bend	trans	-76	-4.5	178.6	-59	0	0	0	0	114.6	M652 W653	M652-S656 PolarHBondContact O-N 2.67Å; M652-S656 VanDerWaalsContact O-N 3.09Å; M652-S656 PolarHBondContact O-OG 3.41Å; W653-S656 PolarHBondContact O-N 3.19Å
657	G	62.5	Low	75.9	Confident	40 Å²	40	67.2 Å²	67.2	41%	0.412	38%	0.378	S	S	.	.			trans	97.1	-180	-176.5	0	0	0	0	0	113.5	S655 I659	S655-G657 PolarHBondContact O-N 3.26Å; G657-I659 VanDerWaalsContact C-N 3.34Å; G657-I659 PolarHBondContact O-N 2.77Å
658	L	57.8	Low	74.9	Confident	187 Å²	187	66.4 Å²	66.4	98%	0.979	37%	0.374	S	S	*	.			trans	-75.9	85.7	178.9	-75.3	90.8	0	0	0	110.6
659	I	59.4	Low	73.9	Confident	62 Å²	62	67.2 Å²	67.2	32%	0.318	38%	0.377	S	S	.	.			trans	-70.4	136.7	166.6	-56.2	175.4	0	0	0	108.6	G657 L664 D667	G657-I659 VanDerWaalsContact C-N 3.34Å; G657-I659 PolarHBondContact O-N 2.77Å; I659-L664 HydrophobicContact CG2-CB 4.3Å; I659-D667 WeakPolarHBondContact CD1-OD2 3.45Å
660	D	67	Low	73.1	Confident	135 Å²	135	69.5 Å²	69.5	72%	0.722	41%	0.406	S	S	*	.			trans	-57.1	155.3	178.3	-89.4	-51.5	0	0	0	113.3	E662 G663 L664	D660-E662 PolarHBondContact O-N 2.93Å; D660-G663 PolarHBondContact O-N 3.34Å; D660-L664 WeakPolarHBondContact O-CB 3.44Å; D660-L664 PolarHBondContact O-N 3.37Å
661	S	68.2	Low	72.4	Confident	59 Å²	59	70.7 Å²	70.7	41%	0.413	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-4.2	-178.9	-65.4	0	0	0	0	114.7	K665	S661-K665 VanDerWaalsContact O-CD 3.29Å; S661-K665 WeakPolarHBondContact O-CD 3.45Å; S661-K665 WeakPolarHBondContact O-CE 3.39Å; S661-K665 VanDerWaalsContact O-CG 3.32Å; S661-K665 WeakPolarHBondContact O-CG 3.31Å
662	E	70.2	Confident	71.7	Confident	140 Å²	140	75.9 Å²	75.9	65%	0.654	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-47.5	172.8	-173.7	145.6	-124.8	0	0	111.8	D660 L664 K665 M666	D660-E662 PolarHBondContact O-N 2.93Å; E662-L664 VanDerWaalsContact C-N 3.28Å; E662-L664 PolarHBondContact O-N 3.2Å; E662-K665 WeakPolarHBondContact O-CA 3.49Å; E662-K665 WeakPolarHBondContact O-CB 3.47Å; E662-K665 PolarHBondContact O-N 2.99Å; E662-M666 PolarHBondContact O-N 3.25Å
663	G	73.5	Confident	71.3	Confident	24 Å²	24	73.8 Å²	73.8	25%	0.247	42%	0.422	C	S	.	.	H	α-helix	trans	-54.7	-44.2	170.9	0	0	0	0	0	112	D660 K665 M666 D667	D660-G663 PolarHBondContact O-N 3.34Å; G663-K665 PolarHBondContact O-N 3.06Å; G663-M666 WeakPolarHBondContact O-CB 3.41Å; G663-M666 PolarHBondContact O-N 3.28Å; G663-D667 PolarHBondContact O-N 3.48Å
664	L	70.4	Confident	71	Confident	13 Å²	13	80.8 Å²	80.8	7%	0.068	46%	0.461	C	S	.	.	H	α-helix	trans	-67.9	-16.4	177.7	-165.3	61.9	0	0	0	113.5	V631 W653 I659 D660 E662 A668	V631-L664 HydrophobicContact CG1-CB 4.01Å; V631-L664 HydrophobicContact CG1-CD2 3.79Å; V631-L664 HydrophobicContact CG1-CG 3.63Å; W653-L664 HydrophobicContact CB-CD1 3.62Å; W653-L664 HydrophobicContact CD2-CD1 3.52Å; W653-L664 HydrophobicContact CE3-CD1 3.98Å; W653-L664 HydrophobicContact CG-CD1 3.36Å; I659-L664 HydrophobicContact CG2-CB 4.3Å; D660-L664 WeakPolarHBondContact O-CB 3.44Å; D660-L664 PolarHBondContact O-N 3.37Å; E662-L664 VanDerWaalsContact C-N 3.28Å; E662-L664 PolarHBondContact O-N 3.2Å; L664-A668 VanDerWaalsContact O-CB 3.29Å; L664-A668 WeakPolarHBondContact O-CB 3.3Å; L664-A668 PolarHBondContact O-N 3.2Å
665	K	72.5	Confident	70.8	Confident	83 Å²	83	82.8 Å²	82.8	36%	0.361	47%	0.469	S	S	.	.	H	α-helix	trans	-81.6	-40.4	167.7	-65.6	168.5	-173.5	161	0	111.4	V631 S661 E662 G663 A668 L669	V631-K665 HydrophobicContact CG1-CG 4.49Å; V631-K665 HydrophobicContact CG2-CG 4.24Å; S661-K665 VanDerWaalsContact O-CD 3.29Å; S661-K665 WeakPolarHBondContact O-CD 3.45Å; S661-K665 WeakPolarHBondContact O-CE 3.39Å; S661-K665 VanDerWaalsContact O-CG 3.32Å; S661-K665 WeakPolarHBondContact O-CG 3.31Å; E662-K665 WeakPolarHBondContact O-CA 3.49Å; E662-K665 WeakPolarHBondContact O-CB 3.47Å; E662-K665 PolarHBondContact O-N 2.99Å; G663-K665 PolarHBondContact O-N 3.06Å; K665-A668 PolarHBondContact O-N 2.65Å; K665-L669 WeakPolarHBondContact O-CG 3.34Å; K665-L669 PolarHBondContact O-N 2.83Å
666	M	72.8	Confident	70.8	Confident	136 Å²	136	85.2 Å²	85.2	67%	0.67	47%	0.47	S	S	*	.	H	α-helix	trans	-62.8	-45.8	174.8	-69.2	-177.6	66.7	0	0	110.8	E662 G663 A668 L669 G670	E662-M666 PolarHBondContact O-N 3.25Å; G663-M666 WeakPolarHBondContact O-CB 3.41Å; G663-M666 PolarHBondContact O-N 3.28Å; M666-A668 VanDerWaalsContact C-N 3.34Å; M666-A668 PolarHBondContact O-N 2.76Å; M666-L669 WeakPolarHBondContact O-CB 3.11Å; M666-L669 PolarHBondContact O-N 2.72Å; M666-L669 VanDerWaalsContact O-N 3.11Å; M666-G670 PolarHBondContact O-N 2.74Å
667	D	74.1	Confident	71.3	Confident	64 Å²	64	83.6 Å²	83.6	34%	0.342	46%	0.455	S	S	.	.	H	α-helix	trans	-61.8	-40	174.5	-72.7	-3.6	0	0	0	112.2	W653 I659 G663 L669 G670 A671	W653-D667 HydrophobicContact CZ2-CB 4.02Å; I659-D667 WeakPolarHBondContact CD1-OD2 3.45Å; G663-D667 PolarHBondContact O-N 3.48Å; D667-L669 VanDerWaalsContact C-N 3.28Å; D667-L669 PolarHBondContact O-N 2.93Å; D667-G670 PolarHBondContact O-N 2.92Å; D667-A671 VanDerWaalsContact O-CB 3.24Å; D667-A671 WeakPolarHBondContact O-CB 3.41Å; D667-A671 PolarHBondContact O-N 2.76Å
668	A	71.5	Confident	72.4	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	46%	0.46	C	S	.	.	H	α-helix	trans	-63.4	-34	174.9	0	0	0	0	0	112.4	I635 S638 W653 L664 K665 M666 R672	I635-A668 HydrophobicContact CG1-CB 3.96Å; S638-A668 WeakPolarHBondContact CB-O 3.34Å; S638-A668 PolarHBondContact OG-O 3.18Å; S638-A668 VanDerWaalsContact OG-O 3.09Å; W653-A668 HydrophobicContact CH2-CB 4.14Å; L664-A668 VanDerWaalsContact O-CB 3.29Å; L664-A668 WeakPolarHBondContact O-CB 3.3Å; L664-A668 PolarHBondContact O-N 3.2Å; K665-A668 PolarHBondContact O-N 2.65Å; M666-A668 VanDerWaalsContact C-N 3.34Å; M666-A668 PolarHBondContact O-N 2.76Å; A668-R672 PolarHBondContact O-N 3.02Å
669	L	70.5	Confident	73.9	Confident	81 Å²	81	78.3 Å²	78.3	42%	0.424	42%	0.42	S	S	.	.	H	α-helix	trans	-73.7	-35.6	173.6	-69.6	169.9	0	0	0	112.5	K665 M666 D667 R672	K665-L669 WeakPolarHBondContact O-CG 3.34Å; K665-L669 PolarHBondContact O-N 2.83Å; M666-L669 WeakPolarHBondContact O-CB 3.11Å; M666-L669 PolarHBondContact O-N 2.72Å; M666-L669 VanDerWaalsContact O-N 3.11Å; D667-L669 VanDerWaalsContact C-N 3.28Å; D667-L669 PolarHBondContact O-N 2.93Å; L669-R672 WeakPolarHBondContact O-CB 3.44Å; L669-R672 PolarHBondContact O-N 2.91Å
670	G	72.1	Confident	75.3	Confident	69 Å²	69	79.8 Å²	79.8	71%	0.711	42%	0.424	S	S	*	.	H	α-helix	trans	-68.8	-36	172.3	0	0	0	0	0	112.9	M666 D667 R672	M666-G670 PolarHBondContact O-N 2.74Å; D667-G670 PolarHBondContact O-N 2.92Å; G670-R672 PolarHBondContact O-N 2.73Å
671	A	72.1	Confident	76.2	Confident	28 Å²	28	76.9 Å²	76.9	23%	0.231	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	15.7	174.6	0	0	0	0	0	113.7	W653 D667 K673	W653-A671 HydrophobicContact CH2-CB 4.15Å; W653-A671 HydrophobicContact CZ2-CB 3.85Å; D667-A671 VanDerWaalsContact O-CB 3.24Å; D667-A671 WeakPolarHBondContact O-CB 3.41Å; D667-A671 PolarHBondContact O-N 2.76Å; A671-K673 PolarHBondContact O-N 3.48Å
672	R	74.9	Confident	77.2	Confident	146 Å²	146	74.1 Å²	74.1	55%	0.551	39%	0.389	S	S	*	.			trans	-62.3	127.9	176.5	-175.8	-178.2	-167.3	168.9	8.6	110.1	A668 L669 G670 D674	A668-R672 PolarHBondContact O-N 3.02Å; L669-R672 WeakPolarHBondContact O-CB 3.44Å; L669-R672 PolarHBondContact O-N 2.91Å; G670-R672 PolarHBondContact O-N 2.73Å; R672-D674 PolarHBondContact O-N 2.88Å; R672-D674 VanDerWaalsContact O-N 3.16Å
673	K	75.7	Confident	78.1	Confident	55 Å²	55	67.4 Å²	67.4	24%	0.239	36%	0.358	C	S	.	.			trans	-67.6	113.5	178.9	-164.8	172.7	-161.3	144.3	0	110	S638 D642 Q645 A671 L675	S638-K673 PolarHBondContact O-N 2.61Å; D642-K673 IonicContact OD2-NZ 3.21Å; D642-K673 PolarHBondContact OD2-NZ 3.36Å; Q645-K673 VanDerWaalsContact OE1-CD 3.25Å; Q645-K673 VanDerWaalsContact OE1-CE 3.25Å; A671-K673 PolarHBondContact O-N 3.48Å; K673-L675 HydrophobicContact CB-CG 4.4Å; K673-L675 HydrophobicContact CD-CD2 4.17Å; K673-L675 HydrophobicContact CG-CD2 4.24Å; K673-L675 HydrophobicContact CG-CG 4.26Å; K673-L675 WeakPolarHBondContact O-CD1 3.3Å; K673-L675 WeakPolarHBondContact O-CG 3.5Å; K673-L675 PolarHBondContact O-N 3.36Å
674	D	74.7	Confident	78.8	Confident	165 Å²	165	71.4 Å²	71.4	88%	0.882	37%	0.365	S	S	*	.			trans	-62.5	120.5	166.5	-80	-35.3	0	0	0	109.5	R672	R672-D674 PolarHBondContact O-N 2.88Å; R672-D674 VanDerWaalsContact O-N 3.16Å
675	L	75.7	Confident	79.7	Confident	76 Å²	76	74.5 Å²	74.5	40%	0.398	38%	0.378	S	S	.	.			trans	-123.5	125	-172.8	-71	153.5	0	0	0	108.5	N640 K673 L677	N640-L675 HydrophobicContact CB-CD1 3.83Å; N640-L675 WeakPolarHBondContact ND2-CD1 3.34Å; N640-L675 WeakPolarHBondContact ND2-CD2 3.5Å; K673-L675 HydrophobicContact CB-CG 4.4Å; K673-L675 HydrophobicContact CD-CD2 4.17Å; K673-L675 HydrophobicContact CG-CD2 4.24Å; K673-L675 HydrophobicContact CG-CG 4.26Å; K673-L675 WeakPolarHBondContact O-CD1 3.3Å; K673-L675 WeakPolarHBondContact O-CG 3.5Å; K673-L675 PolarHBondContact O-N 3.36Å; L675-L677 PolarHBondContact O-N 2.84Å; L675-L677 VanDerWaalsContact O-N 3.1Å
676	H	78.8	Confident	80.5	Confident	143 Å²	143	71 Å²	71	66%	0.662	36%	0.364	S	S	*	.			trans	-56.8	115.4	167.1	-168.6	89.5	0	0	0	109.1	Q710	H676-Q710 PolarHBondContact CE1-O 3.03Å
677	L	83.3	Confident	81.3	Confident	50 Å²	50	64.6 Å²	64.6	26%	0.262	33%	0.332	S	S	.	.			trans	-81.4	139.1	-177.4	-66.1	174.9	0	0	0	109.8	L675 V682 K685 L707 Q710	L675-L677 PolarHBondContact O-N 2.84Å; L675-L677 VanDerWaalsContact O-N 3.1Å; L677-V682 HydrophobicContact CB-CG2 3.49Å; L677-V682 VanDerWaalsContact CB-CG2 3.49Å; L677-V682 HydrophobicContact CD1-CG2 4.23Å; L677-K685 HydrophobicContact CD1-CD 4.39Å; L677-L707 HydrophobicContact CD1-CD2 4.13Å; L677-Q710 HydrophobicContact CB-CG 4.45Å
678	N	85.2	Confident	81.9	Confident	100 Å²	100	62.8 Å²	62.8	54%	0.535	33%	0.327	S	S	.	.			trans	-63.6	141.8	172.7	-48.7	-73.1	0	0	0	109.2	F680 D681 V682	N678-F680 PolarHBondContact O-N 3.06Å; N678-F680 VanDerWaalsContact O-N 3.11Å; N678-D681 WeakPolarHBondContact CB-OD2 3.35Å; N678-D681 PolarHBondContact ND2-OD2 2.91Å; N678-D681 WeakPolarHBondContact O-CA 3.02Å; N678-D681 WeakPolarHBondContact O-CB 3.18Å; N678-D681 PolarHBondContact O-N 2.98Å; N678-V682 PolarHBondContact O-N 3.22Å
679	A	88.8	Confident	82.2	Confident	15 Å²	15	63.1 Å²	63.1	12%	0.124	33%	0.328	C	S	.	.	H	α-helix	trans	-50.1	-42.8	178.1	0	0	0	0	0	112.6	D681 V682 I683 L714 F718	A679-D681 PolarHBondContact O-N 3.1Å; A679-V682 PolarHBondContact O-N 3.22Å; A679-V682 VanDerWaalsContact O-N 3.1Å; A679-I683 WeakPolarHBondContact O-CD1 3.34Å; A679-I683 WeakPolarHBondContact O-CG1 3.16Å; A679-I683 PolarHBondContact O-N 2.95Å; A679-L714 HydrophobicContact CB-CD2 4.1Å; A679-L714 HydrophobicContact CB-CG 4.28Å; A679-F718 HydrophobicContact CB-CD2 3.81Å; A679-F718 HydrophobicContact CB-CE2 3.47Å; A679-F718 VanDerWaalsContact CB-CE2 3.47Å; A679-F718 HydrophobicContact CB-CZ 4.07Å
680	F	88.6	Confident	82.4	Confident	94 Å²	94	62.1 Å²	62.1	41%	0.412	32%	0.324	S	S	.	.	H	α-helix	trans	-55	-30.7	174.9	-67.7	-77.8	0	0	0	115.1	N678 R684 F718 V795 F797	N678-F680 PolarHBondContact O-N 3.06Å; N678-F680 VanDerWaalsContact O-N 3.11Å; F680-R684 WeakPolarHBondContact O-CG 3.16Å; F680-F718 AromaticContact CD1-CE1 3.86Å; F680-F718 HydrophobicContact CD1-CE1 3.86Å; F680-F718 HydrophobicContact CD1-CZ 4.14Å; F680-F718 HydrophobicContact CD2-CZ 4.3Å; F680-F718 AromaticContact CE1-CE1 3.64Å; F680-F718 HydrophobicContact CE1-CE1 3.64Å; F680-F718 AromaticContact CE1-CZ 3.84Å; F680-F718 HydrophobicContact CE1-CZ 3.84Å; F680-F718 AromaticContact CE2-CZ 4Å; F680-F718 HydrophobicContact CE2-CZ 4Å; F680-F718 HydrophobicContact CG-CE1 4.46Å; F680-F718 HydrophobicContact CG-CZ 4.37Å; F680-F718 HydrophobicContact CZ-CE1 4.05Å; F680-F718 AromaticContact CZ-CZ 3.77Å; F680-F718 HydrophobicContact CZ-CZ 3.77Å; F680-V795 HydrophobicContact CD1-CB 4.3Å; F680-V795 HydrophobicContact CD1-CG1 3.96Å; F680-F797 HydrophobicContact CE1-CB 4.46Å; F680-F797 HydrophobicContact CZ-CB 4.21Å; F680-F797 HydrophobicContact CZ-CD2 4.01Å
681	D	87	Confident	82.6	Confident	74 Å²	74	64.8 Å²	64.8	40%	0.396	32%	0.32	S	S	.	.	H	α-helix	trans	-87	-36.5	177.4	-58.5	-44.3	0	0	0	110.8	N678 A679 I683 R684 K685	N678-D681 WeakPolarHBondContact CB-OD2 3.35Å; N678-D681 PolarHBondContact ND2-OD2 2.91Å; N678-D681 WeakPolarHBondContact O-CA 3.02Å; N678-D681 WeakPolarHBondContact O-CB 3.18Å; N678-D681 PolarHBondContact O-N 2.98Å; A679-D681 PolarHBondContact O-N 3.1Å; D681-I683 PolarHBondContact O-N 3.06Å; D681-R684 PolarHBondContact O-N 2.83Å; D681-K685 PolarHBondContact O-N 3.12Å
682	V	88.9	Confident	82.7	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-45	176.2	175.3	0	0	0	0	111.9	L677 N678 A679 R684 K685 V686 L707 Q710 I715	L677-V682 HydrophobicContact CB-CG2 3.49Å; L677-V682 VanDerWaalsContact CB-CG2 3.49Å; L677-V682 HydrophobicContact CD1-CG2 4.23Å; N678-V682 PolarHBondContact O-N 3.22Å; A679-V682 PolarHBondContact O-N 3.22Å; A679-V682 VanDerWaalsContact O-N 3.1Å; V682-R684 VanDerWaalsContact C-N 3.27Å; V682-R684 PolarHBondContact O-N 3.42Å; V682-K685 WeakPolarHBondContact O-CA 3.42Å; V682-K685 WeakPolarHBondContact O-CB 3.33Å; V682-K685 PolarHBondContact O-N 2.87Å; V682-V686 HydrophobicContact CG1-CG2 4.03Å; V682-V686 WeakPolarHBondContact O-CG2 3.44Å; V682-V686 PolarHBondContact O-N 3Å; V682-L707 HydrophobicContact CG1-CB 3.89Å; V682-L707 HydrophobicContact CG1-CD2 4.1Å; V682-L707 HydrophobicContact CG1-CG 4.47Å; V682-Q710 HydrophobicContact CG2-CB 4.19Å; V682-Q710 HydrophobicContact CG2-CG 4.02Å; V682-I715 HydrophobicContact CB-CD1 4.34Å; V682-I715 HydrophobicContact CG1-CD1 3.78Å; V682-I715 HydrophobicContact CG1-CG1 4.38Å; V682-I715 HydrophobicContact CG1-CG2 4.41Å; V682-I715 HydrophobicContact CG2-CD1 4.45Å
683	I	90	Very high	82.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-36.8	-176.8	-57.8	143.1	0	0	0	111.3	A679 D681 K685 V686 F687 F718 N722 L788 V795	A679-I683 WeakPolarHBondContact O-CD1 3.34Å; A679-I683 WeakPolarHBondContact O-CG1 3.16Å; A679-I683 PolarHBondContact O-N 2.95Å; D681-I683 PolarHBondContact O-N 3.06Å; I683-K685 PolarHBondContact O-N 2.97Å; I683-V686 PolarHBondContact O-N 2.96Å; I683-F687 HydrophobicContact CG2-CD2 3.88Å; I683-F687 HydrophobicContact CG2-CE2 3.84Å; I683-F687 WeakPolarHBondContact O-CD2 3.46Å; I683-F687 PolarHBondContact O-N 3Å; I683-F718 HydrophobicContact CD1-CB 3.41Å; I683-F718 VanDerWaalsContact CD1-CB 3.41Å; I683-F718 HydrophobicContact CD1-CD1 3.13Å; I683-F718 HydrophobicContact CD1-CD2 4.14Å; I683-F718 HydrophobicContact CD1-CE1 3.69Å; I683-F718 HydrophobicContact CD1-CG 3.35Å; I683-F718 HydrophobicContact CD1-CZ 4.39Å; I683-F718 HydrophobicContact CG1-CB 3.77Å; I683-F718 HydrophobicContact CG1-CD1 4.36Å; I683-F718 HydrophobicContact CG1-CG 4.24Å; I683-N722 HydrophobicContact CG2-CB 4.34Å; I683-L788 HydrophobicContact CG2-CD1 3.87Å; I683-V795 HydrophobicContact CB-CG1 4.34Å; I683-V795 HydrophobicContact CD1-CG1 3.56Å; I683-V795 HydrophobicContact CG2-CG1 4.31Å
684	R	88	Confident	82.2	Confident	107 Å²	107	58.2 Å²	58.2	40%	0.404	30%	0.303	S	S	.	.	H	α-helix	trans	-62.1	-32.4	174.8	-64.1	176.8	-174.9	-78.7	1.3	111.7	F680 D681 V682 A688 V795	F680-R684 WeakPolarHBondContact O-CG 3.16Å; D681-R684 PolarHBondContact O-N 2.83Å; V682-R684 VanDerWaalsContact C-N 3.27Å; V682-R684 PolarHBondContact O-N 3.42Å; R684-A688 WeakPolarHBondContact O-CB 3.2Å; R684-V795 HydrophobicContact CG-CG2 4.07Å
685	K	87.9	Confident	81.7	Confident	79 Å²	79	57 Å²	57	34%	0.343	29%	0.293	S	S	.	.	H	α-helix	trans	-75.8	-45.3	172.7	-69.4	-170.9	167.6	-157.5	0	113	L677 D681 V682 I683 F687 A688 S692 L707	L677-K685 HydrophobicContact CD1-CD 4.39Å; D681-K685 PolarHBondContact O-N 3.12Å; V682-K685 WeakPolarHBondContact O-CA 3.42Å; V682-K685 WeakPolarHBondContact O-CB 3.33Å; V682-K685 PolarHBondContact O-N 2.87Å; I683-K685 PolarHBondContact O-N 2.97Å; K685-F687 VanDerWaalsContact C-N 3.27Å; K685-F687 PolarHBondContact O-N 3.49Å; K685-A688 CarbonylContact O-C 3.37Å; K685-A688 VanDerWaalsContact O-C 3.24Å; K685-A688 PolarHBondContact O-N 2.87Å; K685-S692 WeakPolarHBondContact CA-OG 3.31Å; K685-S692 WeakPolarHBondContact CB-OG 3.27Å; K685-S692 PolarHBondContact O-OG 2.85Å; K685-S692 VanDerWaalsContact O-OG 3.06Å; K685-L707 HydrophobicContact CB-CD1 3.67Å; K685-L707 HydrophobicContact CB-CD2 4.11Å; K685-L707 HydrophobicContact CD-CD1 4.49Å; K685-L707 HydrophobicContact CD-CD2 3.69Å
686	V	90	Very high	81.5	Confident	10 Å²	10	55.3 Å²	55.3	6%	0.061	29%	0.293	C	S	.	.	H	α-helix	trans	-53.7	-42.3	-178.2	169.3	0	0	0	0	112.1	V682 I683 L707 V719 T777 G781	V682-V686 HydrophobicContact CG1-CG2 4.03Å; V682-V686 WeakPolarHBondContact O-CG2 3.44Å; V682-V686 PolarHBondContact O-N 3Å; I683-V686 PolarHBondContact O-N 2.96Å; V686-L707 HydrophobicContact CG2-CB 4.21Å; V686-L707 HydrophobicContact CG2-CD1 4.05Å; V686-V719 HydrophobicContact CG1-CG2 4.24Å; V686-T777 WeakPolarHBondContact CG1-O 3.33Å; V686-G781 VanDerWaalsContact O-CA 3.24Å; V686-G781 WeakPolarHBondContact O-CA 3.47Å
687	F	89.5	Confident	81.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-9	178.4	-68.7	-71.7	0	0	0	115.1	I683 K685 P689 V719 V726 L784 R785 G786 L788	I683-F687 HydrophobicContact CG2-CD2 3.88Å; I683-F687 HydrophobicContact CG2-CE2 3.84Å; I683-F687 WeakPolarHBondContact O-CD2 3.46Å; I683-F687 PolarHBondContact O-N 3Å; K685-F687 VanDerWaalsContact C-N 3.27Å; K685-F687 PolarHBondContact O-N 3.49Å; F687-P689 VanDerWaalsContact O-CD 3.26Å; F687-P689 WeakPolarHBondContact O-CD 3.46Å; F687-V719 HydrophobicContact CE2-CG1 4.4Å; F687-V719 HydrophobicContact CZ-CG1 3.79Å; F687-V726 HydrophobicContact CB-CG1 4.4Å; F687-V726 HydrophobicContact CB-CG2 4.34Å; F687-V726 HydrophobicContact CD1-CB 4.45Å; F687-V726 HydrophobicContact CD1-CG1 4.12Å; F687-V726 HydrophobicContact CD1-CG2 3.59Å; F687-V726 HydrophobicContact CD2-CG2 3.95Å; F687-V726 HydrophobicContact CE1-CG2 3.69Å; F687-V726 HydrophobicContact CE2-CG2 4.01Å; F687-V726 HydrophobicContact CG-CG1 4.41Å; F687-V726 HydrophobicContact CG-CG2 3.7Å; F687-V726 HydrophobicContact CZ-CG2 3.87Å; F687-L784 HydrophobicContact CD1-CB 4.32Å; F687-L784 HydrophobicContact CE1-CB 4.38Å; F687-L784 HydrophobicContact CE1-CD1 4.2Å; F687-R785 CarbonylContact O-C 3.49Å; F687-R785 WeakPolarHBondContact O-CA 3.37Å; F687-G786 PolarHBondContact O-N 3.42Å; F687-L788 HydrophobicContact CB-CD1 4.34Å; F687-L788 HydrophobicContact CD2-CD1 3.72Å; F687-L788 HydrophobicContact CD2-CG 4.45Å; F687-L788 HydrophobicContact CE2-CD1 4.47Å; F687-L788 HydrophobicContact CG-CD1 4.41Å
688	A	86.1	Confident	81.5	Confident	27 Å²	27	53.3 Å²	53.3	22%	0.223	30%	0.295	C	S	.	.			trans	-116.5	58.4	174.2	0	0	0	0	0	110.9	R684 K685 D690 I691 S692	R684-A688 WeakPolarHBondContact O-CB 3.2Å; K685-A688 CarbonylContact O-C 3.37Å; K685-A688 VanDerWaalsContact O-C 3.24Å; K685-A688 PolarHBondContact O-N 2.87Å; A688-D690 PolarHBondContact O-N 2.96Å; A688-D690 VanDerWaalsContact O-N 3.13Å; A688-I691 PolarHBondContact O-N 3.02Å; A688-S692 WeakPolarHBondContact O-CB 3.2Å; A688-S692 PolarHBondContact O-N 3.37Å; A688-S692 PolarHBondContact O-OG 2.63Å
689	P	78.8	Confident	81.4	Confident	6 Å²	6	48.7 Å²	48.7	4%	0.039	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-60	-28.8	-175.4	27.2	-35.4	0	0	0	111.8	F687 I691 S692 V698 A699 R785	F687-P689 VanDerWaalsContact O-CD 3.26Å; F687-P689 WeakPolarHBondContact O-CD 3.46Å; P689-I691 PolarHBondContact O-N 3.15Å; P689-I691 VanDerWaalsContact O-N 3.15Å; P689-S692 PolarHBondContact O-N 3.08Å; P689-V698 WeakPolarHBondContact O-CA 3.45Å; P689-A699 WeakPolarHBondContact O-CB 3.05Å; P689-A699 PolarHBondContact O-N 3.4Å; P689-R785 HydrophobicContact CG-CG 3.91Å
690	D	75.2	Confident	81.5	Confident	60 Å²	60	51.8 Å²	51.8	32%	0.321	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-68	-12.5	-175.1	-42.8	-74.1	0	0	0	114.2	A688 R785	A688-D690 PolarHBondContact O-N 2.96Å; A688-D690 VanDerWaalsContact O-N 3.13Å; D690-R785 IonicContact OD1-CZ 2.8Å; D690-R785 IonicContact OD1-NH1 3.85Å; D690-R785 PolarHBondContact OD1-NH1 3.29Å; D690-R785 WeakPolarHBondContact OD2-CD 3.22Å
691	I	75.8	Confident	81.6	Confident	125 Å²	125	51.6 Å²	51.6	64%	0.641	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-130	7.8	-179	-34.2	177.1	0	0	0	111.6	A688 P689 S697	A688-I691 PolarHBondContact O-N 3.02Å; P689-I691 PolarHBondContact O-N 3.15Å; P689-I691 VanDerWaalsContact O-N 3.15Å; I691-S697 CarbonylContact C-O 3.51Å
692	S	74.7	Confident	81.9	Confident	15 Å²	15	52.8 Å²	52.8	11%	0.105	29%	0.294	C	S	.	.			trans	-102.9	-10.3	-166.2	-72.3	0	0	0	0	115.9	K685 A688 P689 S697	K685-S692 WeakPolarHBondContact CA-OG 3.31Å; K685-S692 WeakPolarHBondContact CB-OG 3.27Å; K685-S692 PolarHBondContact O-OG 2.85Å; K685-S692 VanDerWaalsContact O-OG 3.06Å; A688-S692 WeakPolarHBondContact O-CB 3.2Å; A688-S692 PolarHBondContact O-N 3.37Å; A688-S692 PolarHBondContact O-OG 2.63Å; P689-S692 PolarHBondContact O-N 3.08Å; S692-S697 PolarHBondContact N-O 2.99Å
693	G	72.2	Confident	81.8	Confident	9 Å²	9	55.5 Å²	55.5	9%	0.093	31%	0.307	C	S	.	.	S	Bend	trans	-75.8	179.5	175	0	0	0	0	0	112.9	Q695 G696 S697 E703	G693-Q695 PolarHBondContact O-N 3.44Å; G693-G696 PolarHBondContact O-N 3.47Å; G693-S697 WeakPolarHBondContact CA-O 3.22Å; G693-S697 PolarHBondContact N-O 3.32Å; G693-E703 WeakPolarHBondContact CA-OE1 3.43Å
694	S	66.8	Low	81.8	Confident	67 Å²	67	56 Å²	56	47%	0.469	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-51.9	136.5	175.8	-165.8	0	0	0	0	112	G696 S697 E703	S694-G696 PolarHBondContact O-N 3.34Å; S694-G696 VanDerWaalsContact O-N 3.09Å; S694-S697 WeakPolarHBondContact O-CB 3.35Å; S694-S697 PolarHBondContact O-N 2.94Å; S694-S697 VanDerWaalsContact O-N 3.13Å; S694-S697 PolarHBondContact O-OG 3.26Å; S694-E703 PolarHBondContact N-OE1 3.2Å
695	Q	64.5	Low	82	Confident	141 Å²	141	51.9 Å²	51.9	66%	0.659	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	52.4	21	-173.4	-50.5	-63.2	20.6	0	0	116.7	G693	G693-Q695 PolarHBondContact O-N 3.44Å
696	G	71.8	Confident	82.2	Confident	40 Å²	40	52 Å²	52	41%	0.412	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	83	17	-179.4	0	0	0	0	0	114	G693 S694	G693-G696 PolarHBondContact O-N 3.47Å; S694-G696 PolarHBondContact O-N 3.34Å; S694-G696 VanDerWaalsContact O-N 3.09Å
697	S	79	Confident	82.3	Confident	59 Å²	59	52.2 Å²	52.2	41%	0.413	30%	0.301	S	S	.	.			trans	-73.2	174.4	171.1	62.4	0	0	0	0	112.7	I691 S692 G693 S694 A699	I691-S697 CarbonylContact C-O 3.51Å; S692-S697 PolarHBondContact N-O 2.99Å; G693-S697 WeakPolarHBondContact CA-O 3.22Å; G693-S697 PolarHBondContact N-O 3.32Å; S694-S697 WeakPolarHBondContact O-CB 3.35Å; S694-S697 PolarHBondContact O-N 2.94Å; S694-S697 VanDerWaalsContact O-N 3.13Å; S694-S697 PolarHBondContact O-OG 3.26Å; S697-A699 PolarHBondContact O-N 3.31Å
698	V	83.1	Confident	82.5	Confident	91 Å²	91	52.2 Å²	52.2	55%	0.552	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-64.1	122.8	170.4	-176.2	0	0	0	0	109.6	P689 T700	P689-V698 WeakPolarHBondContact O-CA 3.45Å; V698-T700 PolarHBondContact O-N 3.48Å
699	A	83.8	Confident	82.8	Confident	4 Å²	4	54.8 Å²	54.8	3%	0.033	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-61.4	123.6	-177	0	0	0	0	0	112.6	P689 S697 R782	P689-A699 WeakPolarHBondContact O-CB 3.05Å; P689-A699 PolarHBondContact O-N 3.4Å; S697-A699 PolarHBondContact O-N 3.31Å; A699-R782 PolarHBondContact O-NH2 3.45Å
700	T	89.9	Confident	83.4	Confident	80 Å²	80	57 Å²	57	49%	0.491	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-54.8	155.1	171	-49.2	0	0	0	0	110.2	V698 N702 E703 S704	V698-T700 PolarHBondContact O-N 3.48Å; T700-N702 VanDerWaalsContact C-N 3.27Å; T700-N702 PolarHBondContact O-N 3.05Å; T700-E703 WeakPolarHBondContact CB-OE2 3.34Å; T700-E703 PolarHBondContact N-OE2 3.4Å; T700-E703 PolarHBondContact O-N 3.15Å; T700-E703 PolarHBondContact OG1-OE2 3.16Å; T700-S704 WeakPolarHBondContact O-CB 3.25Å; T700-S704 PolarHBondContact O-N 3.41Å; T700-S704 PolarHBondContact O-OG 3.01Å
701	F	91.2	Very high	84.1	Confident	89 Å²	89	56.4 Å²	56.4	39%	0.39	32%	0.315	S	S	.	.	H	α-helix	trans	-57.2	-41.5	175.3	178.4	-100.2	0	0	0	112.2	S704 L705 V774 V778	F701-S704 WeakPolarHBondContact O-CB 3.15Å; F701-S704 PolarHBondContact O-N 3.27Å; F701-L705 WeakPolarHBondContact O-CB 3.46Å; F701-L705 PolarHBondContact O-N 2.91Å; F701-L705 VanDerWaalsContact O-N 3.08Å; F701-V774 HydrophobicContact CE2-CG2 4.04Å; F701-V774 HydrophobicContact CZ-CG2 3.59Å; F701-V778 HydrophobicContact CD2-CG1 3.98Å; F701-V778 HydrophobicContact CE2-CG1 4.01Å
702	N	91.8	Very high	84.9	Confident	100 Å²	100	54.3 Å²	54.3	54%	0.535	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-53.1	176.3	-63.7	2.8	0	0	0	110.9	T700 S704 L705 D706	T700-N702 VanDerWaalsContact C-N 3.27Å; T700-N702 PolarHBondContact O-N 3.05Å; N702-S704 PolarHBondContact O-N 2.95Å; N702-S704 VanDerWaalsContact O-N 3.1Å; N702-L705 CarbonylContact O-C 3.32Å; N702-L705 WeakPolarHBondContact O-CA 3.41Å; N702-L705 VanDerWaalsContact O-CB 3.31Å; N702-L705 WeakPolarHBondContact O-CB 3.43Å; N702-L705 PolarHBondContact O-N 2.69Å; N702-D706 VanDerWaalsContact C-OD2 3.22Å; N702-D706 PolarHBondContact O-N 3.13Å
703	E	88.8	Confident	85.7	Confident	56 Å²	56	57 Å²	57	26%	0.262	31%	0.313	S	S	.	.	H	α-helix	trans	-52	-39.1	174.8	-66.1	173.6	117.3	0	0	112.5	G693 S694 T700 L705 D706 L707	G693-E703 WeakPolarHBondContact CA-OE1 3.43Å; S694-E703 PolarHBondContact N-OE1 3.2Å; T700-E703 WeakPolarHBondContact CB-OE2 3.34Å; T700-E703 PolarHBondContact N-OE2 3.4Å; T700-E703 PolarHBondContact O-N 3.15Å; T700-E703 PolarHBondContact OG1-OE2 3.16Å; E703-L705 VanDerWaalsContact C-N 3.31Å; E703-L705 PolarHBondContact O-N 3.4Å; E703-D706 PolarHBondContact O-N 2.91Å; E703-L707 WeakPolarHBondContact O-CG 3.47Å; E703-L707 PolarHBondContact O-N 3.4Å
704	S	89.5	Confident	86.7	Confident	11 Å²	11	58.4 Å²	58.4	8%	0.077	32%	0.317	C	S	.	.	H	α-helix	trans	-66.2	-31.1	176.5	-53.5	0	0	0	0	113.1	T700 F701 N702	T700-S704 WeakPolarHBondContact O-CB 3.25Å; T700-S704 PolarHBondContact O-N 3.41Å; T700-S704 PolarHBondContact O-OG 3.01Å; F701-S704 WeakPolarHBondContact O-CB 3.15Å; F701-S704 PolarHBondContact O-N 3.27Å; N702-S704 PolarHBondContact O-N 2.95Å; N702-S704 VanDerWaalsContact O-N 3.1Å
705	L	92.6	Very high	88	Confident	20 Å²	20	55.2 Å²	55.2	11%	0.105	30%	0.295	C	S	.	.	H	α-helix	trans	-83.7	-36.1	177.6	-168.4	74.2	0	0	0	111.6	F701 N702 E703 L707 F708 F709 P770 V774 V778	F701-L705 WeakPolarHBondContact O-CB 3.46Å; F701-L705 PolarHBondContact O-N 2.91Å; F701-L705 VanDerWaalsContact O-N 3.08Å; N702-L705 CarbonylContact O-C 3.32Å; N702-L705 WeakPolarHBondContact O-CA 3.41Å; N702-L705 VanDerWaalsContact O-CB 3.31Å; N702-L705 WeakPolarHBondContact O-CB 3.43Å; N702-L705 PolarHBondContact O-N 2.69Å; E703-L705 VanDerWaalsContact C-N 3.31Å; E703-L705 PolarHBondContact O-N 3.4Å; L705-L707 PolarHBondContact O-N 3.25Å; L705-F708 WeakPolarHBondContact O-CA 3.15Å; L705-F708 VanDerWaalsContact O-CB 3.31Å; L705-F708 WeakPolarHBondContact O-CB 3.38Å; L705-F708 PolarHBondContact O-N 3.04Å; L705-F709 HydrophobicContact CD1-CE2 4.49Å; L705-F709 HydrophobicContact CD2-CE2 3.94Å; L705-F709 HydrophobicContact CG-CD2 4.16Å; L705-F709 HydrophobicContact CG-CE2 3.79Å; L705-F709 WeakPolarHBondContact O-CD2 3.41Å; L705-F709 PolarHBondContact O-N 3.49Å; L705-F709 VanDerWaalsContact O-N 3.12Å; L705-P770 HydrophobicContact CD2-CB 4.39Å; L705-V774 HydrophobicContact CD1-CG2 4.09Å; L705-V778 HydrophobicContact CB-CG2 4.48Å; L705-V778 HydrophobicContact CD1-CG2 4.21Å
706	D	91.8	Very high	89.4	Confident	81 Å²	81	49.6 Å²	49.6	43%	0.433	27%	0.271	S	S	.	.	H	α-helix	trans	-65.4	-28.9	176.3	-60.8	-35.9	0	0	0	111.5	N702 E703 F708 F709 Q710	N702-D706 VanDerWaalsContact C-OD2 3.22Å; N702-D706 PolarHBondContact O-N 3.13Å; E703-D706 PolarHBondContact O-N 2.91Å; D706-F708 VanDerWaalsContact C-N 3.35Å; D706-F709 PolarHBondContact O-N 2.8Å; D706-Q710 PolarHBondContact O-N 3.32Å
707	L	91.3	Very high	90.5	Very high	15 Å²	15	49.2 Å²	49.2	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-57.1	-45.2	166.1	-72.3	176.6	0	0	0	111.8	L677 V682 K685 V686 E703 L705 F709 Q710 I715	L677-L707 HydrophobicContact CD1-CD2 4.13Å; V682-L707 HydrophobicContact CG1-CB 3.89Å; V682-L707 HydrophobicContact CG1-CD2 4.1Å; V682-L707 HydrophobicContact CG1-CG 4.47Å; K685-L707 HydrophobicContact CB-CD1 3.67Å; K685-L707 HydrophobicContact CB-CD2 4.11Å; K685-L707 HydrophobicContact CD-CD1 4.49Å; K685-L707 HydrophobicContact CD-CD2 3.69Å; V686-L707 HydrophobicContact CG2-CB 4.21Å; V686-L707 HydrophobicContact CG2-CD1 4.05Å; E703-L707 WeakPolarHBondContact O-CG 3.47Å; E703-L707 PolarHBondContact O-N 3.4Å; L705-L707 PolarHBondContact O-N 3.25Å; L707-F709 VanDerWaalsContact C-N 3.33Å; L707-F709 PolarHBondContact O-N 2.79Å; L707-Q710 WeakPolarHBondContact O-CB 3.38Å; L707-Q710 WeakPolarHBondContact O-CG 3.31Å; L707-Q710 PolarHBondContact O-N 3.39Å; L707-I715 WeakPolarHBondContact O-CD1 3.5Å
708	F	93.5	Very high	91.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-35.8	175.6	158.5	-95.9	0	0	0	112.2	L705 D706 Q710 D711 Y712 P716 L769 Q772 T777	L705-F708 WeakPolarHBondContact O-CA 3.15Å; L705-F708 VanDerWaalsContact O-CB 3.31Å; L705-F708 WeakPolarHBondContact O-CB 3.38Å; L705-F708 PolarHBondContact O-N 3.04Å; D706-F708 VanDerWaalsContact C-N 3.35Å; F708-Q710 PolarHBondContact O-N 3.26Å; F708-D711 CarbonylContact O-C 3.59Å; F708-D711 VanDerWaalsContact O-C 3.3Å; F708-D711 PolarHBondContact O-N 3.47Å; F708-Y712 WeakPolarHBondContact O-CA 3.35Å; F708-Y712 PolarHBondContact O-N 3.22Å; F708-P716 HydrophobicContact CD2-CG 4.11Å; F708-P716 HydrophobicContact CE2-CG 3.76Å; F708-L769 HydrophobicContact CE1-CD1 4.25Å; F708-L769 HydrophobicContact CE1-CG 4.14Å; F708-L769 WeakPolarHBondContact CE1-O 3.32Å; F708-L769 HydrophobicContact CZ-CD1 3.83Å; F708-L769 HydrophobicContact CZ-CG 4.23Å; F708-Q772 HydrophobicContact CZ-CB 4.35Å; F708-T777 HydrophobicContact CB-CG2 3.87Å; F708-T777 HydrophobicContact CD2-CG2 3.94Å; F708-T777 HydrophobicContact CG-CG2 4.35Å
709	F	93.3	Very high	91.7	Very high	82 Å²	82	42.1 Å²	42.1	36%	0.36	21%	0.214	S	C	.	.	H	α-helix	trans	-72.5	-7.4	177.6	-75.2	-63.2	0	0	0	115	L705 D706 L707 L769 P770	L705-F709 HydrophobicContact CD1-CE2 4.49Å; L705-F709 HydrophobicContact CD2-CE2 3.94Å; L705-F709 HydrophobicContact CG-CD2 4.16Å; L705-F709 HydrophobicContact CG-CE2 3.79Å; L705-F709 WeakPolarHBondContact O-CD2 3.41Å; L705-F709 PolarHBondContact O-N 3.49Å; L705-F709 VanDerWaalsContact O-N 3.12Å; D706-F709 PolarHBondContact O-N 2.8Å; L707-F709 VanDerWaalsContact C-N 3.33Å; L707-F709 PolarHBondContact O-N 2.79Å; F709-L769 HydrophobicContact CE1-CD2 3.87Å; F709-L769 HydrophobicContact CE1-CG 3.99Å; F709-P770 HydrophobicContact CZ-CB 4.43Å; F709-P770 HydrophobicContact CZ-CG 4.15Å
710	Q	90.8	Very high	92.2	Very high	52 Å²	52	45.9 Å²	45.9	24%	0.243	23%	0.23	C	C	.	.	H	α-helix	trans	-58.6	-51.9	167	-59.5	-67.7	-50.6	0	0	110.6	H676 L677 V682 D706 L707 F708 I715	H676-Q710 PolarHBondContact CE1-O 3.03Å; L677-Q710 HydrophobicContact CB-CG 4.45Å; V682-Q710 HydrophobicContact CG2-CB 4.19Å; V682-Q710 HydrophobicContact CG2-CG 4.02Å; D706-Q710 PolarHBondContact O-N 3.32Å; L707-Q710 WeakPolarHBondContact O-CB 3.38Å; L707-Q710 WeakPolarHBondContact O-CG 3.31Å; L707-Q710 PolarHBondContact O-N 3.39Å; F708-Q710 PolarHBondContact O-N 3.26Å; Q710-I715 HydrophobicContact CB-CD1 3.98Å
711	D	91	Very high	92.3	Very high	48 Å²	48	44.1 Å²	44.1	26%	0.257	22%	0.216	S	C	.	.			trans	-149.3	93.1	169.4	-171.1	-23	0	0	0	111.2	F708 N713 L714 I715	F708-D711 CarbonylContact O-C 3.59Å; F708-D711 VanDerWaalsContact O-C 3.3Å; F708-D711 PolarHBondContact O-N 3.47Å; D711-N713 PolarHBondContact O-N 2.83Å; D711-N713 VanDerWaalsContact O-N 3.15Å; D711-N713 WeakPolarHBondContact OD1-CA 3.45Å; D711-N713 WeakPolarHBondContact OD1-CB 3.31Å; D711-N713 PolarHBondContact OD1-N 3.26Å; D711-L714 HydrophobicContact CB-CB 4.05Å; D711-L714 PolarHBondContact O-N 3.23Å; D711-L714 PolarHBondContact OD1-N 3.33Å; D711-L714 WeakPolarHBondContact OD2-CB 3.46Å; D711-I715 HydrophobicContact CB-CD1 4.22Å; D711-I715 HydrophobicContact CB-CG1 4.32Å; D711-I715 VanDerWaalsContact N-CD1 3.35Å; D711-I715 WeakPolarHBondContact O-CB 3.39Å; D711-I715 WeakPolarHBondContact O-CD1 3.48Å; D711-I715 VanDerWaalsContact O-CG1 3.3Å; D711-I715 WeakPolarHBondContact O-CG1 3.39Å; D711-I715 PolarHBondContact O-N 3.12Å
712	Y	92.1	Very high	92.3	Very high	81 Å²	81	39.9 Å²	39.9	32%	0.318	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.6	-179.1	68.8	-91.8	0	0	0	114.5	F708 W766 L769	F708-Y712 WeakPolarHBondContact O-CA 3.35Å; F708-Y712 PolarHBondContact O-N 3.22Å; Y712-W766 HydrophobicContact CE2-CZ3 4.05Å; Y712-L769 HydrophobicContact CD2-CD1 3.9Å; Y712-L769 HydrophobicContact CD2-CD2 4.18Å; Y712-L769 HydrophobicContact CG-CD1 4.32Å; Y712-L769 HydrophobicContact CG-CD2 4.21Å
713	N	91.8	Very high	92.4	Very high	72 Å²	72	36.7 Å²	36.7	39%	0.385	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-39.6	173.5	-64.3	-64.8	0	0	0	111.5	D711 R759	D711-N713 PolarHBondContact O-N 2.83Å; D711-N713 VanDerWaalsContact O-N 3.15Å; D711-N713 WeakPolarHBondContact OD1-CA 3.45Å; D711-N713 WeakPolarHBondContact OD1-CB 3.31Å; D711-N713 PolarHBondContact OD1-N 3.26Å; N713-R759 PolarHBondContact OD1-NH2 2.83Å
714	L	92.4	Very high	92.4	Very high	37 Å²	37	39 Å²	39	19%	0.194	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-37.9	-171.4	-175.1	52.1	0	0	0	113.1	A679 D711 L717 F718 F797 F801	A679-L714 HydrophobicContact CB-CD2 4.1Å; A679-L714 HydrophobicContact CB-CG 4.28Å; D711-L714 HydrophobicContact CB-CB 4.05Å; D711-L714 PolarHBondContact O-N 3.23Å; D711-L714 PolarHBondContact OD1-N 3.33Å; D711-L714 WeakPolarHBondContact OD2-CB 3.46Å; L714-L717 PolarHBondContact O-N 3.09Å; L714-F718 HydrophobicContact CD1-CD2 3.76Å; L714-F718 HydrophobicContact CD1-CE2 3.67Å; L714-F718 HydrophobicContact CD2-CE2 4.05Å; L714-F718 HydrophobicContact CG-CD2 3.71Å; L714-F718 HydrophobicContact CG-CE2 3.66Å; L714-F718 WeakPolarHBondContact O-CD2 3.47Å; L714-F718 PolarHBondContact O-N 2.95Å; L714-F797 HydrophobicContact CD1-CE2 4.41Å; L714-F801 HydrophobicContact CD1-CE2 3.52Å; L714-F801 HydrophobicContact CD1-CZ 3.74Å
715	I	93.6	Very high	92.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-66.2	-41.7	-172.8	-65.8	165	0	0	0	113.5	V682 L707 Q710 D711 L717 F718 V719 T777	V682-I715 HydrophobicContact CB-CD1 4.34Å; V682-I715 HydrophobicContact CG1-CD1 3.78Å; V682-I715 HydrophobicContact CG1-CG1 4.38Å; V682-I715 HydrophobicContact CG1-CG2 4.41Å; V682-I715 HydrophobicContact CG2-CD1 4.45Å; L707-I715 WeakPolarHBondContact O-CD1 3.5Å; Q710-I715 HydrophobicContact CB-CD1 3.98Å; D711-I715 HydrophobicContact CB-CD1 4.22Å; D711-I715 HydrophobicContact CB-CG1 4.32Å; D711-I715 VanDerWaalsContact N-CD1 3.35Å; D711-I715 WeakPolarHBondContact O-CB 3.39Å; D711-I715 WeakPolarHBondContact O-CD1 3.48Å; D711-I715 VanDerWaalsContact O-CG1 3.3Å; D711-I715 WeakPolarHBondContact O-CG1 3.39Å; D711-I715 PolarHBondContact O-N 3.12Å; I715-L717 VanDerWaalsContact C-N 3.29Å; I715-L717 PolarHBondContact O-N 3.2Å; I715-F718 CarbonylContact O-C 3.49Å; I715-F718 WeakPolarHBondContact O-CA 3.07Å; I715-F718 WeakPolarHBondContact O-CB 3.43Å; I715-F718 PolarHBondContact O-N 3.12Å; I715-V719 HydrophobicContact CG2-CG2 4.34Å; I715-V719 PolarHBondContact O-N 3.38Å; I715-T777 HydrophobicContact CG2-CG2 3.76Å
716	P	94.4	Very high	92	Very high	23 Å²	23	41.6 Å²	41.6	15%	0.149	21%	0.206	C	C	.	.	H	α-helix	trans	-56.1	-41.7	176.6	-28.9	37.8	0	0	0	113.3	F708 F718 V719 E720	F708-P716 HydrophobicContact CD2-CG 4.11Å; F708-P716 HydrophobicContact CE2-CG 3.76Å; P716-F718 VanDerWaalsContact C-N 3.32Å; P716-F718 PolarHBondContact O-N 2.94Å; P716-V719 PolarHBondContact O-N 2.94Å; P716-E720 PolarHBondContact O-N 3.29Å
717	L	94.9	Very high	91.6	Very high	32 Å²	32	44.9 Å²	44.9	17%	0.168	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-33.5	177.2	-62.1	172.6	0	0	0	112	L714 I715 E721 P798 W800 F801	L714-L717 PolarHBondContact O-N 3.09Å; I715-L717 VanDerWaalsContact C-N 3.29Å; I715-L717 PolarHBondContact O-N 3.2Å; L717-E721 PolarHBondContact O-N 3.11Å; L717-P798 HydrophobicContact CB-CB 3.88Å; L717-P798 HydrophobicContact CB-CG 3.85Å; L717-W800 HydrophobicContact CD1-CD2 4.22Å; L717-W800 HydrophobicContact CD1-CE3 3.72Å; L717-W800 HydrophobicContact CD1-CZ3 4.08Å; L717-W800 HydrophobicContact CD2-CB 4.28Å; L717-W800 HydrophobicContact CD2-CD2 3.91Å; L717-W800 HydrophobicContact CD2-CE3 4.27Å; L717-W800 HydrophobicContact CD2-CG 3.9Å; L717-F801 HydrophobicContact CD1-CE1 4.06Å; L717-F801 HydrophobicContact CD1-CE2 3.72Å; L717-F801 HydrophobicContact CD1-CZ 3.43Å; L717-F801 VanDerWaalsContact CD1-CZ 3.43Å
718	F	93.6	Very high	91.3	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-72.2	-33.6	173.5	-96.7	-76.4	0	0	0	113.1	A679 F680 I683 L714 I715 P716 N722 V795 S796 F797 P798	A679-F718 HydrophobicContact CB-CD2 3.81Å; A679-F718 HydrophobicContact CB-CE2 3.47Å; A679-F718 VanDerWaalsContact CB-CE2 3.47Å; A679-F718 HydrophobicContact CB-CZ 4.07Å; F680-F718 AromaticContact CD1-CE1 3.86Å; F680-F718 HydrophobicContact CD1-CE1 3.86Å; F680-F718 HydrophobicContact CD1-CZ 4.14Å; F680-F718 HydrophobicContact CD2-CZ 4.3Å; F680-F718 AromaticContact CE1-CE1 3.64Å; F680-F718 HydrophobicContact CE1-CE1 3.64Å; F680-F718 AromaticContact CE1-CZ 3.84Å; F680-F718 HydrophobicContact CE1-CZ 3.84Å; F680-F718 AromaticContact CE2-CZ 4Å; F680-F718 HydrophobicContact CE2-CZ 4Å; F680-F718 HydrophobicContact CG-CE1 4.46Å; F680-F718 HydrophobicContact CG-CZ 4.37Å; F680-F718 HydrophobicContact CZ-CE1 4.05Å; F680-F718 AromaticContact CZ-CZ 3.77Å; F680-F718 HydrophobicContact CZ-CZ 3.77Å; I683-F718 HydrophobicContact CD1-CB 3.41Å; I683-F718 VanDerWaalsContact CD1-CB 3.41Å; I683-F718 HydrophobicContact CD1-CD1 3.13Å; I683-F718 HydrophobicContact CD1-CD2 4.14Å; I683-F718 HydrophobicContact CD1-CE1 3.69Å; I683-F718 HydrophobicContact CD1-CG 3.35Å; I683-F718 HydrophobicContact CD1-CZ 4.39Å; I683-F718 HydrophobicContact CG1-CB 3.77Å; I683-F718 HydrophobicContact CG1-CD1 4.36Å; I683-F718 HydrophobicContact CG1-CG 4.24Å; L714-F718 HydrophobicContact CD1-CD2 3.76Å; L714-F718 HydrophobicContact CD1-CE2 3.67Å; L714-F718 HydrophobicContact CD2-CE2 4.05Å; L714-F718 HydrophobicContact CG-CD2 3.71Å; L714-F718 HydrophobicContact CG-CE2 3.66Å; L714-F718 WeakPolarHBondContact O-CD2 3.47Å; L714-F718 PolarHBondContact O-N 2.95Å; I715-F718 CarbonylContact O-C 3.49Å; I715-F718 WeakPolarHBondContact O-CA 3.07Å; I715-F718 WeakPolarHBondContact O-CB 3.43Å; I715-F718 PolarHBondContact O-N 3.12Å; P716-F718 VanDerWaalsContact C-N 3.32Å; P716-F718 PolarHBondContact O-N 2.94Å; F718-N722 VanDerWaalsContact O-CB 3.26Å; F718-N722 WeakPolarHBondContact O-CB 3.49Å; F718-N722 PolarHBondContact O-N 2.72Å; F718-N722 PolarHBondContact O-ND2 3.16Å; F718-V795 HydrophobicContact CD1-CG1 4.28Å; F718-V795 HydrophobicContact CE1-CG1 4.27Å; F718-S796 WeakPolarHBondContact CD1-O 3.36Å; F718-S796 WeakPolarHBondContact CE1-O 3.29Å; F718-F797 HydrophobicContact CE1-CB 4.46Å; F718-F797 HydrophobicContact CE1-CD2 4.27Å; F718-F797 HydrophobicContact CE2-CD2 4.07Å; F718-F797 HydrophobicContact CE2-CE2 4.17Å; F718-F797 AromaticContact CZ-CD2 3.56Å; F718-F797 HydrophobicContact CZ-CD2 3.56Å; F718-F797 HydrophobicContact CZ-CE2 4.12Å; F718-F797 HydrophobicContact CZ-CG 4.39Å; F718-P798 HydrophobicContact CB-CG 4.22Å; F718-P798 HydrophobicContact CD1-CG 4.04Å; F718-P798 HydrophobicContact CD2-CG 3.75Å; F718-P798 HydrophobicContact CE2-CG 4.25Å; F718-P798 HydrophobicContact CG-CG 3.67Å
719	V	93.3	Very high	90.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-43.9	171.9	175	0	0	0	0	110	V686 F687 I715 P716 N722 Y723 I748 S776 T777 P780	V686-V719 HydrophobicContact CG1-CG2 4.24Å; F687-V719 HydrophobicContact CE2-CG1 4.4Å; F687-V719 HydrophobicContact CZ-CG1 3.79Å; I715-V719 HydrophobicContact CG2-CG2 4.34Å; I715-V719 PolarHBondContact O-N 3.38Å; P716-V719 PolarHBondContact O-N 2.94Å; V719-N722 PolarHBondContact O-N 3.13Å; V719-Y723 WeakPolarHBondContact O-CB 3.45Å; V719-Y723 PolarHBondContact O-N 3.41Å; V719-I748 HydrophobicContact CG1-CD1 4.27Å; V719-S776 WeakPolarHBondContact CG1-O 3.49Å; V719-T777 HydrophobicContact CG2-CG2 4.17Å; V719-P780 HydrophobicContact CG1-CB 4.06Å; V719-P780 HydrophobicContact CG1-CG 4.5Å
720	E	94.2	Very high	89.7	Confident	82 Å²	82	50.1 Å²	50.1	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-60.8	-43.9	176.7	-172.2	-89.1	153.2	0	0	113.1	P716 N722 Y723 I748	P716-E720 PolarHBondContact O-N 3.29Å; E720-N722 VanDerWaalsContact C-N 3.29Å; E720-N722 PolarHBondContact O-N 2.94Å; E720-Y723 WeakPolarHBondContact O-CD1 3.21Å; E720-Y723 VanDerWaalsContact O-CE1 3.3Å; E720-Y723 WeakPolarHBondContact O-CE1 3.21Å; E720-I748 HydrophobicContact CB-CG2 4.31Å; E720-I748 HydrophobicContact CG-CG2 4.18Å
721	E	92.7	Very high	89	Confident	43 Å²	43	49 Å²	49	20%	0.201	24%	0.238	C	C	.	.	H	α-helix	trans	-70.5	-22	177	-169.2	81.8	-149.8	0	0	113	L717 S796 C799	L717-E721 PolarHBondContact O-N 3.11Å; E721-S796 WeakPolarHBondContact CG-OG 3.24Å; E721-S796 PolarHBondContact O-OG 2.84Å; E721-C799 PolarHBondContact OE1-SG 3.49Å; E721-C799 VanDerWaalsContact OE2-CB 3.28Å; E721-C799 WeakPolarHBondContact OE2-CB 3.15Å; E721-C799 PolarHBondContact OE2-N 3.17Å
722	N	91.9	Very high	88.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-112.4	-19.1	-170	-73.9	-91	0	0	0	116.6	I683 F718 V719 E720 L724 N725 L788 V795 S796	I683-N722 HydrophobicContact CG2-CB 4.34Å; F718-N722 VanDerWaalsContact O-CB 3.26Å; F718-N722 WeakPolarHBondContact O-CB 3.49Å; F718-N722 PolarHBondContact O-N 2.72Å; F718-N722 PolarHBondContact O-ND2 3.16Å; V719-N722 PolarHBondContact O-N 3.13Å; E720-N722 VanDerWaalsContact C-N 3.29Å; E720-N722 PolarHBondContact O-N 2.94Å; N722-L724 PolarHBondContact O-N 3.24Å; N722-L724 VanDerWaalsContact O-N 3.15Å; N722-N725 WeakPolarHBondContact O-CB 3.39Å; N722-N725 PolarHBondContact O-N 3.29Å; N722-L788 HydrophobicContact CB-CD2 4.3Å; N722-V795 VanDerWaalsContact OD1-CA 3.27Å; N722-V795 WeakPolarHBondContact OD1-CA 3.29Å; N722-S796 PolarHBondContact ND2-O 3.09Å; N722-S796 PolarHBondContact ND2-OG 2.88Å; N722-S796 PolarHBondContact OD1-N 3.44Å; N722-S796 PolarHBondContact OD1-OG 2.86Å; N722-S796 VanDerWaalsContact OD1-OG 3.13Å
723	Y	92.2	Very high	88.1	Confident	33 Å²	33	54.4 Å²	54.4	13%	0.129	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-60	-31.1	-172.6	79.2	-81.2	0	0	0	113.6	V719 E720 N725 V726 A744 A745 I748 L784	V719-Y723 WeakPolarHBondContact O-CB 3.45Å; V719-Y723 PolarHBondContact O-N 3.41Å; E720-Y723 WeakPolarHBondContact O-CD1 3.21Å; E720-Y723 VanDerWaalsContact O-CE1 3.3Å; E720-Y723 WeakPolarHBondContact O-CE1 3.21Å; Y723-N725 VanDerWaalsContact C-N 3.26Å; Y723-N725 PolarHBondContact O-N 2.9Å; Y723-V726 WeakPolarHBondContact O-CB 3.26Å; Y723-V726 WeakPolarHBondContact O-CG2 3.46Å; Y723-V726 PolarHBondContact O-N 3.25Å; Y723-A744 HydrophobicContact CD2-CB 4.29Å; Y723-A745 HydrophobicContact CE2-CB 4.19Å; Y723-I748 HydrophobicContact CD1-CD1 3.8Å; Y723-I748 HydrophobicContact CE1-CD1 4.09Å; Y723-I748 HydrophobicContact CG-CD1 4.09Å; Y723-L784 HydrophobicContact CD2-CD1 3.94Å; Y723-L784 HydrophobicContact CG-CD1 4.36Å
724	L	89.9	Confident	87.8	Confident	104 Å²	104	57.5 Å²	57.5	55%	0.545	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-67.9	-22.3	175.4	-62.8	175.2	0	0	0	113.6	N722 M741	N722-L724 PolarHBondContact O-N 3.24Å; N722-L724 VanDerWaalsContact O-N 3.15Å; L724-M741 HydrophobicContact CD2-SD 4.31Å
725	N	87	Confident	87.7	Confident	79 Å²	79	64.2 Å²	64.2	42%	0.422	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-89.1	-1	179.8	-65.2	-42.2	0	0	0	113.2	N722 Y723 L788 P789	N722-N725 WeakPolarHBondContact O-CB 3.39Å; N722-N725 PolarHBondContact O-N 3.29Å; Y723-N725 VanDerWaalsContact C-N 3.26Å; Y723-N725 PolarHBondContact O-N 2.9Å; N725-L788 HydrophobicContact CB-CD2 4.3Å; N725-P789 VanDerWaalsContact O-CD 3.26Å; N725-P789 WeakPolarHBondContact O-CD 3.41Å
726	V	86.5	Confident	87.5	Confident	7 Å²	7	69 Å²	69	4%	0.042	33%	0.331	C	S	.	.			trans	-79.7	126.2	-174.1	178.1	0	0	0	0	111.1	F687 Y723 V728 L784 L788	F687-V726 HydrophobicContact CB-CG1 4.4Å; F687-V726 HydrophobicContact CB-CG2 4.34Å; F687-V726 HydrophobicContact CD1-CB 4.45Å; F687-V726 HydrophobicContact CD1-CG1 4.12Å; F687-V726 HydrophobicContact CD1-CG2 3.59Å; F687-V726 HydrophobicContact CD2-CG2 3.95Å; F687-V726 HydrophobicContact CE1-CG2 3.69Å; F687-V726 HydrophobicContact CE2-CG2 4.01Å; F687-V726 HydrophobicContact CG-CG1 4.41Å; F687-V726 HydrophobicContact CG-CG2 3.7Å; F687-V726 HydrophobicContact CZ-CG2 3.87Å; Y723-V726 WeakPolarHBondContact O-CB 3.26Å; Y723-V726 WeakPolarHBondContact O-CG2 3.46Å; Y723-V726 PolarHBondContact O-N 3.25Å; V726-V728 PolarHBondContact O-N 2.93Å; V726-L784 HydrophobicContact CG1-CB 4.11Å; V726-L784 WeakPolarHBondContact CG1-O 3.35Å; V726-L788 HydrophobicContact CG2-CD2 3.81Å; V726-L788 HydrophobicContact CG2-CG 4.14Å
727	R	83.7	Confident	87.2	Confident	151 Å²	151	69.7 Å²	69.7	57%	0.57	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	91.2	174.4	-63.8	-177.5	173.5	-167.9	-4.3	110.2	H729 G786 S787	R727-H729 PolarHBondContact O-N 3.47Å; R727-G786 WeakPolarHBondContact O-CA 3.29Å; R727-S787 WeakPolarHBondContact CB-O 3.49Å; R727-S787 PolarHBondContact N-O 3.39Å; R727-S787 PolarHBondContact O-N 3.48Å
728	V	84.7	Confident	87.1	Confident	14 Å²	14	73.9 Å²	73.9	9%	0.085	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	128.3	179.3	-171.5	0	0	0	0	111	V726 N730 I737 L740 L784	V726-V728 PolarHBondContact O-N 2.93Å; V728-N730 HydrophobicContact CG1-CB 4.19Å; V728-I737 HydrophobicContact CG2-CG2 4.27Å; V728-L740 HydrophobicContact CG1-CD1 4.01Å; V728-L784 WeakPolarHBondContact CA-O 3.22Å; V728-L784 HydrophobicContact CG2-CB 4.48Å; V728-L784 HydrophobicContact CG2-CD2 3.82Å
729	H	78.9	Confident	87.1	Confident	101 Å²	101	80 Å²	80	47%	0.468	38%	0.384	S	S	.	.	S	Bend	trans	-82.7	-34.4	176.9	-76.1	-74.1	0	0	0	112.6	R727 T731 R785 G786 S787	R727-H729 PolarHBondContact O-N 3.47Å; H729-T731 PolarHBondContact O-N 2.62Å; H729-T731 VanDerWaalsContact O-N 3.12Å; H729-R785 PolarHBondContact N-O 3.41Å; H729-G786 VanDerWaalsContact CD2-CA 3.48Å; H729-G786 WeakPolarHBondContact CD2-CA 3.25Å; H729-S787 PolarHBondContact CE1-OG 3.16Å; H729-S787 VanDerWaalsContact CE1-OG 3.25Å; H729-S787 PolarHBondContact NE2-N 2.89Å; H729-S787 PolarHBondContact NE2-OG 3.19Å
730	N	74	Confident	87	Confident	92 Å²	92	81.7 Å²	81.7	49%	0.492	39%	0.393	S	S	.	.	S	Bend	trans	-65.5	-15.6	-170.8	-63.8	-11.4	0	0	0	114.9	V728	V728-N730 HydrophobicContact CG1-CB 4.19Å
731	T	77	Confident	87	Confident	29 Å²	29	79.4 Å²	79.4	18%	0.178	38%	0.383	C	S	.	.			trans	-161.9	147.7	-168.6	-67.6	0	0	0	0	112.3	H729 D733 K736	H729-T731 PolarHBondContact O-N 2.62Å; H729-T731 VanDerWaalsContact O-N 3.12Å; T731-D733 HydrophobicContact CG2-CB 3.94Å; T731-D733 VanDerWaalsContact CG2-N 3.32Å; T731-K736 HydrophobicContact CG2-CB 3.61Å; T731-K736 HydrophobicContact CG2-CD 3.73Å; T731-K736 HydrophobicContact CG2-CG 4.31Å
732	H	77.2	Confident	87.1	Confident	160 Å²	160	80.8 Å²	80.8	74%	0.741	40%	0.397	S	S	*	.			trans	-113.4	-4	173.6	-61.1	-24.2	0	0	0	114	D734	H732-D734 PolarHBondContact O-N 3.39Å
733	D	85.3	Confident	87.2	Confident	82 Å²	82	85.4 Å²	85.4	44%	0.439	42%	0.419	S	S	.	.			trans	-78	112.5	176.6	-53.4	-38.4	0	0	0	110.8	T731 K735 K736 I737	T731-D733 HydrophobicContact CG2-CB 3.94Å; T731-D733 VanDerWaalsContact CG2-N 3.32Å; D733-K735 PolarHBondContact O-N 3.02Å; D733-K736 HydrophobicContact CB-CB 4.22Å; D733-K736 HydrophobicContact CB-CD 4.07Å; D733-K736 HydrophobicContact CB-CG 4.17Å; D733-K736 PolarHBondContact O-N 2.87Å; D733-K736 VanDerWaalsContact OD2-CD 3.32Å; D733-K736 WeakPolarHBondContact OD2-CD 3.47Å; D733-K736 WeakPolarHBondContact OD2-CE 3.5Å; D733-K736 IonicContact OD2-NZ 3.88Å; D733-K736 PolarHBondContact OD2-NZ 3.49Å; D733-I737 PolarHBondContact O-N 2.92Å
734	D	86.4	Confident	87.3	Confident	136 Å²	136	83.9 Å²	83.9	73%	0.727	41%	0.413	S	S	*	.	H	α-helix	trans	-49.6	-38.5	180	-64	-38.1	0	0	0	113.3	H732 K736 I737 L738	H732-D734 PolarHBondContact O-N 3.39Å; D734-K736 VanDerWaalsContact C-N 3.35Å; D734-K736 PolarHBondContact O-N 3.05Å; D734-I737 PolarHBondContact O-N 3.06Å; D734-L738 WeakPolarHBondContact O-CB 3.45Å; D734-L738 PolarHBondContact O-N 3.38Å
735	K	89.8	Confident	87.6	Confident	179 Å²	179	80.5 Å²	80.5	78%	0.778	40%	0.4	S	S	*	.	H	α-helix	trans	-61.4	-40.1	178.1	-67	-178.1	179.4	177.7	0	112.7	D733 Q739	D733-K735 PolarHBondContact O-N 3.02Å; K735-Q739 WeakPolarHBondContact O-CG 3.45Å; K735-Q739 PolarHBondContact O-N 3.5Å; K735-Q739 VanDerWaalsContact O-N 3.14Å
736	K	89	Confident	88.1	Confident	101 Å²	101	79.8 Å²	79.8	44%	0.439	40%	0.401	S	S	.	.	H	α-helix	trans	-78.6	-35.8	178.3	-70.4	177.2	-173.2	157.5	0	111.1	T731 D733 D734 L738 Q739 L740	T731-K736 HydrophobicContact CG2-CB 3.61Å; T731-K736 HydrophobicContact CG2-CD 3.73Å; T731-K736 HydrophobicContact CG2-CG 4.31Å; D733-K736 HydrophobicContact CB-CB 4.22Å; D733-K736 HydrophobicContact CB-CD 4.07Å; D733-K736 HydrophobicContact CB-CG 4.17Å; D733-K736 PolarHBondContact O-N 2.87Å; D733-K736 VanDerWaalsContact OD2-CD 3.32Å; D733-K736 WeakPolarHBondContact OD2-CD 3.47Å; D733-K736 WeakPolarHBondContact OD2-CE 3.5Å; D733-K736 IonicContact OD2-NZ 3.88Å; D733-K736 PolarHBondContact OD2-NZ 3.49Å; D734-K736 VanDerWaalsContact C-N 3.35Å; D734-K736 PolarHBondContact O-N 3.05Å; K736-L738 VanDerWaalsContact C-N 3.3Å; K736-L738 PolarHBondContact O-N 2.67Å; K736-Q739 WeakPolarHBondContact O-CB 3.26Å; K736-Q739 PolarHBondContact O-N 2.83Å; K736-L740 WeakPolarHBondContact O-CG 3.35Å; K736-L740 PolarHBondContact O-N 2.72Å
737	I	89.3	Confident	88.6	Confident	37 Å²	37	80.5 Å²	80.5	19%	0.19	41%	0.405	C	S	.	.	H	α-helix	trans	-58.6	-45.7	171.9	-64.2	169	0	0	0	109.7	V728 D733 D734 Q739 L740 M741	V728-I737 HydrophobicContact CG2-CG2 4.27Å; D733-I737 PolarHBondContact O-N 2.92Å; D734-I737 PolarHBondContact O-N 3.06Å; I737-Q739 PolarHBondContact O-N 3.07Å; I737-L740 PolarHBondContact O-N 3.49Å; I737-M741 HydrophobicContact CG2-CE 3.92Å; I737-M741 HydrophobicContact CG2-SD 4.16Å; I737-M741 WeakPolarHBondContact O-CG 3.37Å; I737-M741 PolarHBondContact O-N 3.32Å
738	L	92	Very high	89.1	Confident	120 Å²	120	74.7 Å²	74.7	63%	0.628	38%	0.384	S	S	*	.	H	α-helix	trans	-63.7	-36.6	175.7	-173.3	63.2	0	0	0	112.8	D734 K736 M741 S742	D734-L738 WeakPolarHBondContact O-CB 3.45Å; D734-L738 PolarHBondContact O-N 3.38Å; K736-L738 VanDerWaalsContact C-N 3.3Å; K736-L738 PolarHBondContact O-N 2.67Å; L738-M741 PolarHBondContact O-N 3Å; L738-S742 WeakPolarHBondContact O-CB 3.28Å; L738-S742 PolarHBondContact O-N 3.3Å
739	Q	93.6	Very high	89.7	Confident	130 Å²	130	76.6 Å²	76.6	61%	0.607	40%	0.402	S	S	*	.	H	α-helix	trans	-64	-44.7	172.5	-75.2	169.5	-27.4	0	0	112.1	K735 K736 I737 S742 Q743	K735-Q739 WeakPolarHBondContact O-CG 3.45Å; K735-Q739 PolarHBondContact O-N 3.5Å; K735-Q739 VanDerWaalsContact O-N 3.14Å; K736-Q739 WeakPolarHBondContact O-CB 3.26Å; K736-Q739 PolarHBondContact O-N 2.83Å; I737-Q739 PolarHBondContact O-N 3.07Å; Q739-S742 PolarHBondContact O-N 2.9Å; Q739-Q743 PolarHBondContact O-N 3.45Å
740	L	92.6	Very high	90.5	Very high	36 Å²	36	74.4 Å²	74.4	19%	0.188	40%	0.395	C	S	.	.	H	α-helix	trans	-65	-38.1	176.4	-67.7	169.6	0	0	0	112	V728 K736 I737 Q743 A744 T783 L784	V728-L740 HydrophobicContact CG1-CD1 4.01Å; K736-L740 WeakPolarHBondContact O-CG 3.35Å; K736-L740 PolarHBondContact O-N 2.72Å; I737-L740 PolarHBondContact O-N 3.49Å; L740-Q743 PolarHBondContact O-N 2.9Å; L740-A744 WeakPolarHBondContact O-CB 3.49Å; L740-A744 PolarHBondContact O-N 2.71Å; L740-T783 HydrophobicContact CB-CG2 4.16Å; L740-T783 HydrophobicContact CD2-CG2 3.68Å; L740-L784 HydrophobicContact CB-CD2 3.95Å
741	M	92.9	Very high	91.5	Very high	34 Å²	34	70.1 Å²	70.1	17%	0.167	37%	0.373	C	S	.	.	H	α-helix	trans	-66.2	-38.9	172.8	-72.8	177.8	171.1	0	0	112	L724 I737 L738 A744 A745 L784	L724-M741 HydrophobicContact CD2-SD 4.31Å; I737-M741 HydrophobicContact CG2-CE 3.92Å; I737-M741 HydrophobicContact CG2-SD 4.16Å; I737-M741 WeakPolarHBondContact O-CG 3.37Å; I737-M741 PolarHBondContact O-N 3.32Å; L738-M741 PolarHBondContact O-N 3Å; M741-A744 PolarHBondContact O-N 2.79Å; M741-A745 WeakPolarHBondContact O-CB 3.34Å; M741-A745 PolarHBondContact O-N 3.15Å; M741-L784 HydrophobicContact CG-CD2 3.84Å
742	S	94.9	Very high	92.4	Very high	72 Å²	72	73.9 Å²	73.9	50%	0.503	39%	0.392	S	S	.	.	H	α-helix	trans	-66.7	-37.9	175	-178.1	0	0	0	0	112.4	L738 Q739 S746	L738-S742 WeakPolarHBondContact O-CB 3.28Å; L738-S742 PolarHBondContact O-N 3.3Å; Q739-S742 PolarHBondContact O-N 2.9Å; S742-S746 WeakPolarHBondContact O-CB 3.21Å; S742-S746 PolarHBondContact O-N 2.71Å; S742-S746 PolarHBondContact O-OG 2.91Å
743	Q	94.6	Very high	93.2	Very high	97 Å²	97	71.4 Å²	71.4	45%	0.453	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-49.6	172.3	-178	176.2	-10	0	0	111.2	Q739 L740 A745 S746 D747 T783	Q739-Q743 PolarHBondContact O-N 3.45Å; L740-Q743 PolarHBondContact O-N 2.9Å; Q743-A745 VanDerWaalsContact C-N 3.32Å; Q743-A745 PolarHBondContact O-N 3.32Å; Q743-S746 WeakPolarHBondContact O-CA 3.37Å; Q743-S746 WeakPolarHBondContact O-CB 3.27Å; Q743-S746 PolarHBondContact O-N 2.76Å; Q743-D747 PolarHBondContact O-N 3.33Å; Q743-T783 HydrophobicContact CB-CG2 4.34Å; Q743-T783 HydrophobicContact CG-CG2 4.29Å
744	A	94.8	Very high	93.6	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-60.4	-39.3	177.4	0	0	0	0	0	112.7	Y723 L740 M741 S746 D747 I748 P780 L784	Y723-A744 HydrophobicContact CD2-CB 4.29Å; L740-A744 WeakPolarHBondContact O-CB 3.49Å; L740-A744 PolarHBondContact O-N 2.71Å; M741-A744 PolarHBondContact O-N 2.79Å; A744-S746 VanDerWaalsContact C-N 3.32Å; A744-S746 PolarHBondContact O-N 2.72Å; A744-D747 PolarHBondContact O-N 2.91Å; A744-I748 WeakPolarHBondContact O-CB 3.26Å; A744-I748 WeakPolarHBondContact O-CD1 3.36Å; A744-I748 WeakPolarHBondContact O-CG1 3.28Å; A744-I748 PolarHBondContact O-N 2.85Å; A744-P780 HydrophobicContact CB-CB 4.2Å; A744-L784 HydrophobicContact CB-CD1 3.55Å; A744-L784 HydrophobicContact CB-CG 4.05Å
745	A	96.1	Very high	93.9	Very high	33 Å²	33	63.2 Å²	63.2	27%	0.273	34%	0.341	S	S	.	.	H	α-helix	trans	-64.8	-35.2	173.6	0	0	0	0	0	112.5	Y723 M741 Q743 A749	Y723-A745 HydrophobicContact CE2-CB 4.19Å; M741-A745 WeakPolarHBondContact O-CB 3.34Å; M741-A745 PolarHBondContact O-N 3.15Å; Q743-A745 VanDerWaalsContact C-N 3.32Å; Q743-A745 PolarHBondContact O-N 3.32Å; A745-A749 WeakPolarHBondContact O-CB 3.44Å; A745-A749 PolarHBondContact O-N 3.3Å
746	S	96.8	Very high	93.9	Very high	65 Å²	65	57.7 Å²	57.7	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-67.5	-44.3	174.6	-56.2	0	0	0	0	111.4	S742 Q743 A744 A749 T750	S742-S746 WeakPolarHBondContact O-CB 3.21Å; S742-S746 PolarHBondContact O-N 2.71Å; S742-S746 PolarHBondContact O-OG 2.91Å; Q743-S746 WeakPolarHBondContact O-CA 3.37Å; Q743-S746 WeakPolarHBondContact O-CB 3.27Å; Q743-S746 PolarHBondContact O-N 2.76Å; A744-S746 VanDerWaalsContact C-N 3.32Å; A744-S746 PolarHBondContact O-N 2.72Å; S746-A749 PolarHBondContact O-N 3.25Å; S746-T750 PolarHBondContact O-N 3.09Å
747	D	96.4	Very high	94	Very high	22 Å²	22	55.2 Å²	55.2	12%	0.118	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-48.6	174.4	-71.2	-18.1	0	0	0	110.7	Q743 A744 A749 T750 A751 F775 S779 P780	Q743-D747 PolarHBondContact O-N 3.33Å; A744-D747 PolarHBondContact O-N 2.91Å; D747-A749 VanDerWaalsContact C-N 3.31Å; D747-A749 PolarHBondContact O-N 3.34Å; D747-T750 PolarHBondContact O-N 3.05Å; D747-T750 VanDerWaalsContact O-N 3.11Å; D747-T750 PolarHBondContact O-OG1 2.8Å; D747-A751 PolarHBondContact O-N 2.79Å; D747-F775 CarbonylContact C-O 3.5Å; D747-F775 HydrophobicContact CB-CD1 4.44Å; D747-S779 WeakPolarHBondContact OD2-CB 3.23Å; D747-S779 PolarHBondContact OD2-OG 2.67Å; D747-P780 HydrophobicContact CB-CG 4.24Å
748	I	95.9	Very high	94.1	Very high	28 Å²	28	53.5 Å²	53.5	14%	0.144	31%	0.309	C	S	.	.	H	α-helix	trans	-57.8	-41.9	176.1	-69.3	163.7	0	0	0	111.3	V719 E720 Y723 A744 A751 D752 P780	V719-I748 HydrophobicContact CG1-CD1 4.27Å; E720-I748 HydrophobicContact CB-CG2 4.31Å; E720-I748 HydrophobicContact CG-CG2 4.18Å; Y723-I748 HydrophobicContact CD1-CD1 3.8Å; Y723-I748 HydrophobicContact CE1-CD1 4.09Å; Y723-I748 HydrophobicContact CG-CD1 4.09Å; A744-I748 WeakPolarHBondContact O-CB 3.26Å; A744-I748 WeakPolarHBondContact O-CD1 3.36Å; A744-I748 WeakPolarHBondContact O-CG1 3.28Å; A744-I748 PolarHBondContact O-N 2.85Å; I748-A751 WeakPolarHBondContact O-CB 3.23Å; I748-A751 PolarHBondContact O-N 3.06Å; I748-A751 VanDerWaalsContact O-N 3.16Å; I748-D752 PolarHBondContact O-N 2.8Å; I748-P780 HydrophobicContact CD1-CG 4.42Å; I748-P780 HydrophobicContact CG1-CG 3.95Å
749	A	96.5	Very high	94	Very high	54 Å²	54	52.5 Å²	52.5	45%	0.446	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-39.5	176.1	0	0	0	0	0	112.6	A745 S746 D747 A751 D752 I753	A745-A749 WeakPolarHBondContact O-CB 3.44Å; A745-A749 PolarHBondContact O-N 3.3Å; S746-A749 PolarHBondContact O-N 3.25Å; D747-A749 VanDerWaalsContact C-N 3.31Å; D747-A749 PolarHBondContact O-N 3.34Å; A749-A751 VanDerWaalsContact C-N 3.31Å; A749-A751 PolarHBondContact O-N 2.84Å; A749-D752 PolarHBondContact O-N 2.84Å; A749-I753 WeakPolarHBondContact O-CG1 3.47Å; A749-I753 PolarHBondContact O-N 3.06Å; A749-I753 VanDerWaalsContact O-N 3.12Å
750	T	96.3	Very high	93.7	Very high	55 Å²	55	48.5 Å²	48.5	34%	0.337	28%	0.284	S	S	.	.	H	α-helix	trans	-66.3	-34.8	172	66.4	0	0	0	0	112.1	S746 D747 I753 I754 F775	S746-T750 PolarHBondContact O-N 3.09Å; D747-T750 PolarHBondContact O-N 3.05Å; D747-T750 VanDerWaalsContact O-N 3.11Å; D747-T750 PolarHBondContact O-OG1 2.8Å; T750-I753 PolarHBondContact O-N 3.39Å; T750-I754 WeakPolarHBondContact O-CD1 3.21Å; T750-I754 VanDerWaalsContact O-CG1 3.28Å; T750-I754 WeakPolarHBondContact O-CG1 3.35Å; T750-I754 PolarHBondContact O-N 3.3Å; T750-F775 WeakPolarHBondContact OG1-CD1 3.43Å; T750-F775 WeakPolarHBondContact OG1-CG 3.49Å
751	A	95.1	Very high	92.8	Very high	3 Å²	3	53 Å²	53	3%	0.025	32%	0.318	C	S	.	.	H	α-helix	trans	-67.5	-33.9	176.3	0	0	0	0	0	112.7	D747 I748 A749 I754 S755 F775	D747-A751 PolarHBondContact O-N 2.79Å; I748-A751 WeakPolarHBondContact O-CB 3.23Å; I748-A751 PolarHBondContact O-N 3.06Å; I748-A751 VanDerWaalsContact O-N 3.16Å; A749-A751 VanDerWaalsContact C-N 3.31Å; A749-A751 PolarHBondContact O-N 2.84Å; A751-I754 PolarHBondContact O-N 3.13Å; A751-S755 VanDerWaalsContact O-CB 3.23Å; A751-S755 WeakPolarHBondContact O-CB 3.47Å; A751-S755 PolarHBondContact O-N 3.17Å; A751-F775 HydrophobicContact CB-CB 3.73Å
752	D	94.7	Very high	91.8	Very high	107 Å²	107	62 Å²	62	57%	0.572	35%	0.35	S	S	*	.	H	α-helix	trans	-69.9	-40.7	172.6	-172.3	54	0	0	0	112	I748 A749 I754 S755 S756	I748-D752 PolarHBondContact O-N 2.8Å; A749-D752 PolarHBondContact O-N 2.84Å; D752-I754 VanDerWaalsContact C-N 3.32Å; D752-I754 PolarHBondContact O-N 3.21Å; D752-S755 WeakPolarHBondContact O-CB 3.42Å; D752-S755 PolarHBondContact O-N 2.88Å; D752-S756 WeakPolarHBondContact O-CB 3.26Å; D752-S756 PolarHBondContact O-N 3.3Å
753	I	94.2	Very high	90.9	Very high	108 Å²	108	62.1 Å²	62.1	55%	0.554	35%	0.348	S	S	*	.	H	α-helix	trans	-57.2	-48.3	171	-66	167.2	0	0	0	109.9	A749 T750 S756 T757	A749-I753 WeakPolarHBondContact O-CG1 3.47Å; A749-I753 PolarHBondContact O-N 3.06Å; A749-I753 VanDerWaalsContact O-N 3.12Å; T750-I753 PolarHBondContact O-N 3.39Å; I753-S756 PolarHBondContact O-N 3.02Å; I753-S756 PolarHBondContact O-OG 3.39Å; I753-T757 WeakPolarHBondContact O-CG2 3.47Å; I753-T757 PolarHBondContact O-N 3.38Å
754	I	93.1	Very high	90.3	Very high	26 Å²	26	59.2 Å²	59.2	13%	0.133	34%	0.344	C	S	.	.	H	α-helix	trans	-60.7	-47.8	176.7	-66.4	161.1	0	0	0	110.9	T750 A751 D752 S756 T757 I758 L768 V771 Q772 F775	T750-I754 WeakPolarHBondContact O-CD1 3.21Å; T750-I754 VanDerWaalsContact O-CG1 3.28Å; T750-I754 WeakPolarHBondContact O-CG1 3.35Å; T750-I754 PolarHBondContact O-N 3.3Å; A751-I754 PolarHBondContact O-N 3.13Å; D752-I754 VanDerWaalsContact C-N 3.32Å; D752-I754 PolarHBondContact O-N 3.21Å; I754-S756 VanDerWaalsContact C-N 3.28Å; I754-S756 PolarHBondContact O-N 3.35Å; I754-T757 PolarHBondContact O-N 2.71Å; I754-T757 PolarHBondContact O-OG1 3.44Å; I754-I758 HydrophobicContact CG2-CD1 3.78Å; I754-I758 HydrophobicContact CG2-CG1 4.35Å; I754-I758 WeakPolarHBondContact O-CG1 3.29Å; I754-I758 PolarHBondContact O-N 3.01Å; I754-L768 HydrophobicContact CG2-CB 4.08Å; I754-V771 HydrophobicContact CD1-CG1 4.07Å; I754-Q772 HydrophobicContact CG2-CB 3.83Å; I754-Q772 HydrophobicContact CG2-CG 4.17Å; I754-F775 HydrophobicContact CD1-CD2 3.6Å; I754-F775 HydrophobicContact CD1-CE2 4.12Å; I754-F775 HydrophobicContact CD1-CG 4.43Å
755	S	92.4	Very high	89.9	Confident	20 Å²	20	60.9 Å²	60.9	14%	0.14	36%	0.356	C	S	.	.	H	α-helix	trans	-51.1	-45.8	174	162	0	0	0	0	112	A751 D752 T757 I758 R759	A751-S755 VanDerWaalsContact O-CB 3.23Å; A751-S755 WeakPolarHBondContact O-CB 3.47Å; A751-S755 PolarHBondContact O-N 3.17Å; D752-S755 WeakPolarHBondContact O-CB 3.42Å; D752-S755 PolarHBondContact O-N 2.88Å; S755-T757 PolarHBondContact O-N 3.32Å; S755-I758 PolarHBondContact O-N 3.44Å; S755-R759 WeakPolarHBondContact O-CB 3.21Å; S755-R759 WeakPolarHBondContact O-CG 3.46Å; S755-R759 PolarHBondContact O-N 2.69Å; S755-R759 PolarHBondContact OG-NH1 2.83Å
756	S	90.6	Very high	89.7	Confident	63 Å²	63	65.4 Å²	65.4	44%	0.441	37%	0.366	S	S	.	.	H	α-helix	trans	-64.5	-38.4	177.3	83.4	0	0	0	0	112	D752 I753 I754 R759 S760	D752-S756 WeakPolarHBondContact O-CB 3.26Å; D752-S756 PolarHBondContact O-N 3.3Å; I753-S756 PolarHBondContact O-N 3.02Å; I753-S756 PolarHBondContact O-OG 3.39Å; I754-S756 VanDerWaalsContact C-N 3.28Å; I754-S756 PolarHBondContact O-N 3.35Å; S756-R759 PolarHBondContact O-N 3.08Å; S756-S760 WeakPolarHBondContact O-CA 3.41Å; S756-S760 WeakPolarHBondContact O-CB 3.38Å; S756-S760 PolarHBondContact O-N 3.35Å
757	T	90.8	Very high	89.5	Confident	49 Å²	49	67.2 Å²	67.2	30%	0.301	38%	0.378	S	S	.	.	H	α-helix	trans	-73.3	-28.6	177.2	64.5	0	0	0	0	113.8	I753 I754 S755 T763	I753-T757 WeakPolarHBondContact O-CG2 3.47Å; I753-T757 PolarHBondContact O-N 3.38Å; I754-T757 PolarHBondContact O-N 2.71Å; I754-T757 PolarHBondContact O-OG1 3.44Å; S755-T757 PolarHBondContact O-N 3.32Å; T757-T763 PolarHBondContact O-OG1 3.49Å
758	I	91.8	Very high	89.3	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-69.4	-48.9	171.9	-66.8	163.4	0	0	0	109.7	I754 S755 G764 W766 L768 L769 Q772	I754-I758 HydrophobicContact CG2-CD1 3.78Å; I754-I758 HydrophobicContact CG2-CG1 4.35Å; I754-I758 WeakPolarHBondContact O-CG1 3.29Å; I754-I758 PolarHBondContact O-N 3.01Å; S755-I758 PolarHBondContact O-N 3.44Å; I758-G764 WeakPolarHBondContact O-CA 3.48Å; I758-W766 HydrophobicContact CG2-CD2 3.74Å; I758-W766 HydrophobicContact CG2-CE3 3.44Å; I758-W766 VanDerWaalsContact CG2-CE3 3.44Å; I758-W766 HydrophobicContact CG2-CG 4.39Å; I758-W766 HydrophobicContact CG2-CH2 4.16Å; I758-W766 HydrophobicContact CG2-CZ2 4.41Å; I758-W766 HydrophobicContact CG2-CZ3 3.67Å; I758-L768 HydrophobicContact CD1-CB 4.1Å; I758-L768 HydrophobicContact CG1-CB 3.94Å; I758-L769 HydrophobicContact CD1-CB 4.4Å; I758-L769 HydrophobicContact CD1-CD1 4.26Å; I758-Q772 HydrophobicContact CD1-CB 3.89Å; I758-Q772 HydrophobicContact CD1-CG 4.27Å
759	R	89.3	Confident	89.2	Confident	99 Å²	99	68.7 Å²	68.7	37%	0.374	39%	0.386	S	S	.	.	H	α-helix	trans	-80.8	-13.1	-175.4	-65.8	174.8	174.2	80.8	5.2	113.6	N713 S755 S756 S761	N713-R759 PolarHBondContact OD1-NH2 2.83Å; S755-R759 WeakPolarHBondContact O-CB 3.21Å; S755-R759 WeakPolarHBondContact O-CG 3.46Å; S755-R759 PolarHBondContact O-N 2.69Å; S755-R759 PolarHBondContact OG-NH1 2.83Å; S756-R759 PolarHBondContact O-N 3.08Å; R759-S761 PolarHBondContact O-N 3.01Å
760	S	87.7	Confident	89.1	Confident	47 Å²	47	68.8 Å²	68.8	33%	0.329	38%	0.382	S	S	.	.			trans	-67.2	126.9	176.7	-173.4	0	0	0	0	111.9	S756 R762 T763 G764	S756-S760 WeakPolarHBondContact O-CA 3.41Å; S756-S760 WeakPolarHBondContact O-CB 3.38Å; S756-S760 PolarHBondContact O-N 3.35Å; S760-R762 PolarHBondContact O-N 2.93Å; S760-T763 PolarHBondContact O-N 2.76Å; S760-T763 VanDerWaalsContact O-N 3.08Å; S760-T763 PolarHBondContact O-OG1 3.02Å; S760-G764 PolarHBondContact O-N 3.06Å
761	S	73.6	Confident	89	Confident	129 Å²	129	68.9 Å²	68.9	90%	0.902	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-11.9	-177.9	57.6	0	0	0	0	115.5	R759	R759-S761 PolarHBondContact O-N 3.01Å
762	R	73.2	Confident	89	Confident	223 Å²	223	68.9 Å²	68.9	84%	0.842	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-29.4	175.7	-171.8	177.9	-64.1	116.9	0.9	113.3	S760	S760-R762 PolarHBondContact O-N 2.93Å
763	T	74.3	Confident	89	Confident	76 Å²	76	63.8 Å²	63.8	47%	0.466	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-46.6	-169.5	33.6	0	0	0	0	112.7	T757 S760 S765	T757-T763 PolarHBondContact O-OG1 3.49Å; S760-T763 PolarHBondContact O-N 2.76Å; S760-T763 VanDerWaalsContact O-N 3.08Å; S760-T763 PolarHBondContact O-OG1 3.02Å; T763-S765 PolarHBondContact O-N 3.31Å; T763-S765 VanDerWaalsContact O-N 3.12Å
764	G	83	Confident	89.1	Confident	36 Å²	36	60.6 Å²	60.6	37%	0.371	34%	0.34	S	S	.	.			trans	54.5	30.7	178.6	0	0	0	0	0	114.1	I758 S760 W766	I758-G764 WeakPolarHBondContact O-CA 3.48Å; S760-G764 PolarHBondContact O-N 3.06Å; G764-W766 PolarHBondContact O-N 3.19Å
765	S	87.1	Confident	89.2	Confident	35 Å²	35	62.6 Å²	62.6	25%	0.245	35%	0.348	C	S	.	.			trans	-78.4	59.3	-163.9	-61.1	0	0	0	0	113.5	T763 S767 L768	T763-S765 PolarHBondContact O-N 3.31Å; T763-S765 VanDerWaalsContact O-N 3.12Å; S765-S767 PolarHBondContact O-N 3.27Å; S765-L768 WeakPolarHBondContact O-CB 3.49Å; S765-L768 PolarHBondContact O-N 2.82Å
766	W	91	Very high	89.3	Confident	127 Å²	127	61.8 Å²	61.8	48%	0.481	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-57	-18.3	-178.8	-64.6	101.8	0	0	0	114.5	Y712 I758 G764 L768 L769	Y712-W766 HydrophobicContact CE2-CZ3 4.05Å; I758-W766 HydrophobicContact CG2-CD2 3.74Å; I758-W766 HydrophobicContact CG2-CE3 3.44Å; I758-W766 VanDerWaalsContact CG2-CE3 3.44Å; I758-W766 HydrophobicContact CG2-CG 4.39Å; I758-W766 HydrophobicContact CG2-CH2 4.16Å; I758-W766 HydrophobicContact CG2-CZ2 4.41Å; I758-W766 HydrophobicContact CG2-CZ3 3.67Å; G764-W766 PolarHBondContact O-N 3.19Å; W766-L768 PolarHBondContact O-N 3.24Å; W766-L769 HydrophobicContact CE3-CD2 4.26Å; W766-L769 WeakPolarHBondContact O-CB 3.4Å; W766-L769 PolarHBondContact O-N 3.44Å
767	S	92.1	Very high	89.5	Confident	103 Å²	103	58.9 Å²	58.9	72%	0.72	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-61.6	-18.4	168.7	57.6	0	0	0	0	114.1	S765	S765-S767 PolarHBondContact O-N 3.27Å
768	L	92.5	Very high	89.6	Confident	62 Å²	62	56.9 Å²	56.9	33%	0.325	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-85.2	-4.3	172.9	-61	176.7	0	0	0	113	I754 I758 S765 W766 V771 Q772	I754-L768 HydrophobicContact CG2-CB 4.08Å; I758-L768 HydrophobicContact CD1-CB 4.1Å; I758-L768 HydrophobicContact CG1-CB 3.94Å; S765-L768 WeakPolarHBondContact O-CB 3.49Å; S765-L768 PolarHBondContact O-N 2.82Å; W766-L768 PolarHBondContact O-N 3.24Å; L768-V771 HydrophobicContact CD2-CG2 4.33Å; L768-V771 CarbonylContact O-C 3.53Å; L768-V771 WeakPolarHBondContact O-CA 3.46Å; L768-V771 VanDerWaalsContact O-CB 3.31Å; L768-V771 WeakPolarHBondContact O-CB 3.37Å; L768-V771 PolarHBondContact O-N 2.81Å; L768-Q772 PolarHBondContact O-N 3.38Å
769	L	93.2	Very high	89.7	Confident	20 Å²	20	58.3 Å²	58.3	11%	0.105	32%	0.32	C	S	.	.	H	α-helix	trans	-59.7	-39.4	-177.8	-170.6	65.3	0	0	0	113.7	F708 F709 Y712 I758 W766 V771 Q772 G773	F708-L769 HydrophobicContact CE1-CD1 4.25Å; F708-L769 HydrophobicContact CE1-CG 4.14Å; F708-L769 WeakPolarHBondContact CE1-O 3.32Å; F708-L769 HydrophobicContact CZ-CD1 3.83Å; F708-L769 HydrophobicContact CZ-CG 4.23Å; F709-L769 HydrophobicContact CE1-CD2 3.87Å; F709-L769 HydrophobicContact CE1-CG 3.99Å; Y712-L769 HydrophobicContact CD2-CD1 3.9Å; Y712-L769 HydrophobicContact CD2-CD2 4.18Å; Y712-L769 HydrophobicContact CG-CD1 4.32Å; Y712-L769 HydrophobicContact CG-CD2 4.21Å; I758-L769 HydrophobicContact CD1-CB 4.4Å; I758-L769 HydrophobicContact CD1-CD1 4.26Å; W766-L769 HydrophobicContact CE3-CD2 4.26Å; W766-L769 WeakPolarHBondContact O-CB 3.4Å; W766-L769 PolarHBondContact O-N 3.44Å; L769-V771 VanDerWaalsContact C-N 3.29Å; L769-V771 PolarHBondContact O-N 3.38Å; L769-Q772 WeakPolarHBondContact O-CB 3.49Å; L769-Q772 PolarHBondContact O-N 2.93Å; L769-G773 PolarHBondContact O-N 2.87Å
770	P	95.3	Very high	89.9	Confident	55 Å²	55	53.6 Å²	53.6	36%	0.357	30%	0.302	S	S	.	.	H	α-helix	trans	-60.6	-37.9	169.6	-22.4	33.6	0	0	0	112.7	L705 F709 G773 V774	L705-P770 HydrophobicContact CD2-CB 4.39Å; F709-P770 HydrophobicContact CZ-CB 4.43Å; F709-P770 HydrophobicContact CZ-CG 4.15Å; P770-G773 WeakPolarHBondContact O-CA 3.27Å; P770-G773 PolarHBondContact O-N 3.49Å; P770-G773 VanDerWaalsContact O-N 3.15Å; P770-V774 WeakPolarHBondContact O-CG2 3.37Å; P770-V774 PolarHBondContact O-N 2.84Å
771	V	94.8	Very high	90.1	Very high	57 Å²	57	51.3 Å²	51.3	35%	0.345	29%	0.286	S	S	.	.	H	α-helix	trans	-67.6	-39.2	178.3	-166.1	0	0	0	0	110.5	I754 L768 L769 G773 V774 F775	I754-V771 HydrophobicContact CD1-CG1 4.07Å; L768-V771 HydrophobicContact CD2-CG2 4.33Å; L768-V771 CarbonylContact O-C 3.53Å; L768-V771 WeakPolarHBondContact O-CA 3.46Å; L768-V771 VanDerWaalsContact O-CB 3.31Å; L768-V771 WeakPolarHBondContact O-CB 3.37Å; L768-V771 PolarHBondContact O-N 2.81Å; L769-V771 VanDerWaalsContact C-N 3.29Å; L769-V771 PolarHBondContact O-N 3.38Å; V771-G773 VanDerWaalsContact C-N 3.3Å; V771-G773 PolarHBondContact O-N 2.74Å; V771-V774 PolarHBondContact O-N 2.92Å; V771-F775 HydrophobicContact CG1-CD2 3.97Å; V771-F775 HydrophobicContact CG1-CE2 3.79Å; V771-F775 WeakPolarHBondContact O-CD2 3.47Å; V771-F775 PolarHBondContact O-N 3.33Å
772	Q	94.8	Very high	90.9	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.019	26%	0.259	C	S	.	.	H	α-helix	trans	-57.6	-44.1	169.8	-158	-147.5	-76.2	0	0	110.6	F708 I754 I758 L768 L769 F775 S776	F708-Q772 HydrophobicContact CZ-CB 4.35Å; I754-Q772 HydrophobicContact CG2-CB 3.83Å; I754-Q772 HydrophobicContact CG2-CG 4.17Å; I758-Q772 HydrophobicContact CD1-CB 3.89Å; I758-Q772 HydrophobicContact CD1-CG 4.27Å; L768-Q772 PolarHBondContact O-N 3.38Å; L769-Q772 WeakPolarHBondContact O-CB 3.49Å; L769-Q772 PolarHBondContact O-N 2.93Å; Q772-F775 PolarHBondContact O-N 2.93Å; Q772-S776 VanDerWaalsContact O-CB 3.25Å; Q772-S776 WeakPolarHBondContact O-CB 3.36Å; Q772-S776 PolarHBondContact O-N 2.68Å; Q772-S776 PolarHBondContact O-OG 2.94Å
773	G	94.6	Very high	91.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.8	-44.1	175.8	0	0	0	0	0	113.2	L769 P770 V771 F775 S776 T777 V778	L769-G773 PolarHBondContact O-N 2.87Å; P770-G773 WeakPolarHBondContact O-CA 3.27Å; P770-G773 PolarHBondContact O-N 3.49Å; P770-G773 VanDerWaalsContact O-N 3.15Å; V771-G773 VanDerWaalsContact C-N 3.3Å; V771-G773 PolarHBondContact O-N 2.74Å; G773-F775 PolarHBondContact O-N 3.37Å; G773-S776 PolarHBondContact O-N 3.26Å; G773-T777 PolarHBondContact O-N 3.08Å; G773-T777 PolarHBondContact O-OG1 3.23Å; G773-V778 PolarHBondContact O-N 3.29Å
774	V	95.8	Very high	92.4	Very high	40 Å²	40	36 Å²	36	24%	0.242	20%	0.202	C	C	.	.	I	π-helix	trans	-58.5	-50.4	177.7	174.2	0	0	0	0	111.9	F701 L705 P770 V771 V778 S779	F701-V774 HydrophobicContact CE2-CG2 4.04Å; F701-V774 HydrophobicContact CZ-CG2 3.59Å; L705-V774 HydrophobicContact CD1-CG2 4.09Å; P770-V774 WeakPolarHBondContact O-CG2 3.37Å; P770-V774 PolarHBondContact O-N 2.84Å; V771-V774 PolarHBondContact O-N 2.92Å; V774-V778 PolarHBondContact O-N 3.49Å; V774-S779 WeakPolarHBondContact O-CB 3.25Å; V774-S779 PolarHBondContact O-N 3.48Å
775	F	96.2	Very high	92.6	Very high	68 Å²	68	38.1 Å²	38.1	30%	0.298	20%	0.199	S	C	.	.	I	π-helix	trans	-77.9	-27.3	-178.5	-70.5	-73.3	0	0	0	113.8	D747 T750 A751 I754 V771 Q772 G773 P780	D747-F775 CarbonylContact C-O 3.5Å; D747-F775 HydrophobicContact CB-CD1 4.44Å; T750-F775 WeakPolarHBondContact OG1-CD1 3.43Å; T750-F775 WeakPolarHBondContact OG1-CG 3.49Å; A751-F775 HydrophobicContact CB-CB 3.73Å; I754-F775 HydrophobicContact CD1-CD2 3.6Å; I754-F775 HydrophobicContact CD1-CE2 4.12Å; I754-F775 HydrophobicContact CD1-CG 4.43Å; V771-F775 HydrophobicContact CG1-CD2 3.97Å; V771-F775 HydrophobicContact CG1-CE2 3.79Å; V771-F775 WeakPolarHBondContact O-CD2 3.47Å; V771-F775 PolarHBondContact O-N 3.33Å; Q772-F775 PolarHBondContact O-N 2.93Å; G773-F775 PolarHBondContact O-N 3.37Å; F775-P780 VanDerWaalsContact O-CD 3.26Å; F775-P780 WeakPolarHBondContact O-CD 3.19Å; F775-P780 WeakPolarHBondContact O-CG 3.5Å
776	S	94.5	Very high	92.4	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.028	19%	0.188	C	C	.	.	I	π-helix	trans	-87.8	-25.8	-179.8	58.6	0	0	0	0	115.2	V719 Q772 G773	V719-S776 WeakPolarHBondContact CG1-O 3.49Å; Q772-S776 VanDerWaalsContact O-CB 3.25Å; Q772-S776 WeakPolarHBondContact O-CB 3.36Å; Q772-S776 PolarHBondContact O-N 2.68Å; Q772-S776 PolarHBondContact O-OG 2.94Å; G773-S776 PolarHBondContact O-N 3.26Å
777	T	93.7	Very high	92	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	18%	0.182	C	C	.	.	I	π-helix	trans	-129.6	-50.8	-177.2	69.6	0	0	0	0	113.1	V686 F708 I715 V719 G773 G781	V686-T777 WeakPolarHBondContact CG1-O 3.33Å; F708-T777 HydrophobicContact CB-CG2 3.87Å; F708-T777 HydrophobicContact CD2-CG2 3.94Å; F708-T777 HydrophobicContact CG-CG2 4.35Å; I715-T777 HydrophobicContact CG2-CG2 3.76Å; V719-T777 HydrophobicContact CG2-CG2 4.17Å; G773-T777 PolarHBondContact O-N 3.08Å; G773-T777 PolarHBondContact O-OG1 3.23Å; T777-G781 PolarHBondContact O-N 3.33Å
778	V	94	Very high	91.5	Very high	8 Å²	8	28.9 Å²	28.9	5%	0.048	15%	0.152	C	C	.	.	I	π-helix	trans	-70.1	-43.6	-169.4	-172.5	0	0	0	0	111.7	F701 L705 G773 V774 R782	F701-V778 HydrophobicContact CD2-CG1 3.98Å; F701-V778 HydrophobicContact CE2-CG1 4.01Å; L705-V778 HydrophobicContact CB-CG2 4.48Å; L705-V778 HydrophobicContact CD1-CG2 4.21Å; G773-V778 PolarHBondContact O-N 3.29Å; V774-V778 PolarHBondContact O-N 3.49Å; V778-R782 VanDerWaalsContact O-CB 3.25Å; V778-R782 WeakPolarHBondContact O-CB 3.41Å; V778-R782 WeakPolarHBondContact O-CG 3.19Å; V778-R782 PolarHBondContact O-N 3.36Å; V778-R782 VanDerWaalsContact O-N 3.08Å
779	S	93.4	Very high	90.4	Very high	30 Å²	30	27.8 Å²	27.8	21%	0.21	15%	0.149	C	C	.	.	H	α-helix	trans	-72.5	-49.3	178.5	-163.6	0	0	0	0	112.7	D747 V774 G781 R782 T783	D747-S779 WeakPolarHBondContact OD2-CB 3.23Å; D747-S779 PolarHBondContact OD2-OG 2.67Å; V774-S779 WeakPolarHBondContact O-CB 3.25Å; V774-S779 PolarHBondContact O-N 3.48Å; S779-G781 PolarHBondContact O-N 3.11Å; S779-R782 PolarHBondContact O-N 2.86Å; S779-T783 WeakPolarHBondContact O-CB 3.26Å; S779-T783 PolarHBondContact O-N 3Å; S779-T783 PolarHBondContact O-OG1 3.46Å
780	P	93.2	Very high	88.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58	-44	174.4	-27.2	36.8	0	0	0	113.2	V719 A744 D747 I748 F775 T783 L784	V719-P780 HydrophobicContact CG1-CB 4.06Å; V719-P780 HydrophobicContact CG1-CG 4.5Å; A744-P780 HydrophobicContact CB-CB 4.2Å; D747-P780 HydrophobicContact CB-CG 4.24Å; I748-P780 HydrophobicContact CD1-CG 4.42Å; I748-P780 HydrophobicContact CG1-CG 3.95Å; F775-P780 VanDerWaalsContact O-CD 3.26Å; F775-P780 WeakPolarHBondContact O-CD 3.19Å; F775-P780 WeakPolarHBondContact O-CG 3.5Å; P780-T783 PolarHBondContact O-N 2.81Å; P780-L784 WeakPolarHBondContact O-CB 3.35Å; P780-L784 PolarHBondContact O-N 3.06Å
781	G	91.5	Very high	86.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-42.8	178.5	0	0	0	0	0	113.6	V686 T777 S779 R785	V686-G781 VanDerWaalsContact O-CA 3.24Å; V686-G781 WeakPolarHBondContact O-CA 3.47Å; T777-G781 PolarHBondContact O-N 3.33Å; S779-G781 PolarHBondContact O-N 3.11Å; G781-R785 PolarHBondContact O-N 3.37Å
782	R	90.6	Very high	84.4	Confident	88 Å²	88	34.4 Å²	34.4	33%	0.332	22%	0.215	S	C	.	.	H	α-helix	trans	-77	-20.7	177.8	-71.7	176.5	173.5	-160.8	-9.9	114.3	A699 V778 S779 R785	A699-R782 PolarHBondContact O-NH2 3.45Å; V778-R782 VanDerWaalsContact O-CB 3.25Å; V778-R782 WeakPolarHBondContact O-CB 3.41Å; V778-R782 WeakPolarHBondContact O-CG 3.19Å; V778-R782 PolarHBondContact O-N 3.36Å; V778-R782 VanDerWaalsContact O-N 3.08Å; S779-R782 PolarHBondContact O-N 2.86Å; R782-R785 VanDerWaalsContact O-CG 3.29Å; R782-R785 WeakPolarHBondContact O-CG 3.48Å; R782-R785 PolarHBondContact O-NE 3.07Å
783	T	90.7	Very high	82.5	Confident	17 Å²	17	37.1 Å²	37.1	10%	0.104	24%	0.244	C	C	.	.	H	α-helix	trans	-82.1	-44.2	176.8	-61.7	0	0	0	0	111.3	L740 Q743 S779 P780	L740-T783 HydrophobicContact CB-CG2 4.16Å; L740-T783 HydrophobicContact CD2-CG2 3.68Å; Q743-T783 HydrophobicContact CB-CG2 4.34Å; Q743-T783 HydrophobicContact CG-CG2 4.29Å; S779-T783 WeakPolarHBondContact O-CB 3.26Å; S779-T783 PolarHBondContact O-N 3Å; S779-T783 PolarHBondContact O-OG1 3.46Å; P780-T783 PolarHBondContact O-N 2.81Å
784	L	88.7	Confident	81.3	Confident	0 Å²	0	38 Å²	38	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-94.8	0.3	-174.5	-70	169	0	0	0	115.2	F687 Y723 V726 V728 L740 M741 A744 P780 G786	F687-L784 HydrophobicContact CD1-CB 4.32Å; F687-L784 HydrophobicContact CE1-CB 4.38Å; F687-L784 HydrophobicContact CE1-CD1 4.2Å; Y723-L784 HydrophobicContact CD2-CD1 3.94Å; Y723-L784 HydrophobicContact CG-CD1 4.36Å; V726-L784 HydrophobicContact CG1-CB 4.11Å; V726-L784 WeakPolarHBondContact CG1-O 3.35Å; V728-L784 WeakPolarHBondContact CA-O 3.22Å; V728-L784 HydrophobicContact CG2-CB 4.48Å; V728-L784 HydrophobicContact CG2-CD2 3.82Å; L740-L784 HydrophobicContact CB-CD2 3.95Å; M741-L784 HydrophobicContact CG-CD2 3.84Å; A744-L784 HydrophobicContact CB-CD1 3.55Å; A744-L784 HydrophobicContact CB-CG 4.05Å; P780-L784 WeakPolarHBondContact O-CB 3.35Å; P780-L784 PolarHBondContact O-N 3.06Å; L784-G786 WeakPolarHBondContact O-CA 3.22Å; L784-G786 PolarHBondContact O-N 3.32Å; L784-G786 VanDerWaalsContact O-N 3.09Å
785	R	86.4	Confident	80.8	Confident	81 Å²	81	36.9 Å²	36.9	31%	0.306	25%	0.247	S	C	.	.			trans	-12.6	100.2	-174.8	-55.5	-163.8	-163.1	-167.9	9	113.6	F687 P689 D690 H729 G781 R782	F687-R785 CarbonylContact O-C 3.49Å; F687-R785 WeakPolarHBondContact O-CA 3.37Å; P689-R785 HydrophobicContact CG-CG 3.91Å; D690-R785 IonicContact OD1-CZ 2.8Å; D690-R785 IonicContact OD1-NH1 3.85Å; D690-R785 PolarHBondContact OD1-NH1 3.29Å; D690-R785 WeakPolarHBondContact OD2-CD 3.22Å; H729-R785 PolarHBondContact N-O 3.41Å; G781-R785 PolarHBondContact O-N 3.37Å; R782-R785 VanDerWaalsContact O-CG 3.29Å; R782-R785 WeakPolarHBondContact O-CG 3.48Å; R782-R785 PolarHBondContact O-NE 3.07Å
786	G	83.5	Confident	80.4	Confident	2 Å²	2	35.2 Å²	35.2	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	145	-159.4	0	0	0	0	0	114.1	F687 R727 H729 L784 L788	F687-G786 PolarHBondContact O-N 3.42Å; R727-G786 WeakPolarHBondContact O-CA 3.29Å; H729-G786 VanDerWaalsContact CD2-CA 3.48Å; H729-G786 WeakPolarHBondContact CD2-CA 3.25Å; L784-G786 WeakPolarHBondContact O-CA 3.22Å; L784-G786 PolarHBondContact O-N 3.32Å; L784-G786 VanDerWaalsContact O-N 3.09Å; G786-L788 PolarHBondContact O-N 3.2Å
787	S	81.8	Confident	80.2	Confident	50 Å²	50	40.1 Å²	40.1	35%	0.35	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	117.4	175	28.6	0	0	0	0	110.3	R727 H729	R727-S787 WeakPolarHBondContact CB-O 3.49Å; R727-S787 PolarHBondContact N-O 3.39Å; R727-S787 PolarHBondContact O-N 3.48Å; H729-S787 PolarHBondContact CE1-OG 3.16Å; H729-S787 VanDerWaalsContact CE1-OG 3.25Å; H729-S787 PolarHBondContact NE2-N 2.89Å; H729-S787 PolarHBondContact NE2-OG 3.19Å
788	L	81.6	Confident	80.2	Confident	20 Å²	20	40.1 Å²	40.1	11%	0.105	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-67.3	139.5	167.8	-78.6	154.6	0	0	0	110.2	I683 F687 N722 N725 V726 G786 G790 V795	I683-L788 HydrophobicContact CG2-CD1 3.87Å; F687-L788 HydrophobicContact CB-CD1 4.34Å; F687-L788 HydrophobicContact CD2-CD1 3.72Å; F687-L788 HydrophobicContact CD2-CG 4.45Å; F687-L788 HydrophobicContact CE2-CD1 4.47Å; F687-L788 HydrophobicContact CG-CD1 4.41Å; N722-L788 HydrophobicContact CB-CD2 4.3Å; N725-L788 HydrophobicContact CB-CD2 4.3Å; V726-L788 HydrophobicContact CG2-CD2 3.81Å; V726-L788 HydrophobicContact CG2-CG 4.14Å; G786-L788 PolarHBondContact O-N 3.2Å; L788-G790 PolarHBondContact O-N 2.98Å; L788-V795 HydrophobicContact CD1-CG2 4.13Å
789	P	71.3	Confident	80.1	Confident	38 Å²	38	42.5 Å²	42.5	25%	0.247	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-57.5	137.7	177.1	22.2	-32.6	0	0	0	112.2	N725 G793 G794	N725-P789 VanDerWaalsContact O-CD 3.26Å; N725-P789 WeakPolarHBondContact O-CD 3.41Å; P789-G793 VanDerWaalsContact CG-O 3.28Å; P789-G793 WeakPolarHBondContact CG-O 3.38Å; P789-G794 WeakPolarHBondContact O-CA 3.38Å
790	G	56.5	Low	80.1	Confident	74 Å²	74	46.4 Å²	46.4	76%	0.763	29%	0.291	S	S	*	.			trans	-96.1	10.7	-175.5	0	0	0	0	0	115.7	L788	L788-G790 PolarHBondContact O-N 2.98Å
791	G	55.5	Low	80.1	Confident	43 Å²	43	50.3 Å²	50.3	44%	0.443	31%	0.308	S	S	.	.	S	Bend	trans	-104.6	-161.1	-171.7	0	0	0	0	0	114.7	G793 G794	G791-G793 PolarHBondContact O-N 3.09Å; G791-G794 WeakPolarHBondContact O-CA 3.31Å; G791-G794 PolarHBondContact O-N 2.8Å
792	P	44.5	Very low	80.1	Confident	154 Å²	154	52.4 Å²	52.4	100%	1	33%	0.33	S	S	*	.	S	Bend	trans	-61.7	-16.9	176	-25.4	36.1	0	0	0	115.4
793	G	54.1	Low	80.3	Confident	61 Å²	61	54.4 Å²	54.4	63%	0.629	34%	0.341	S	S	*	.	S	Bend	trans	-103.6	56.5	163.8	0	0	0	0	0	110.6	P789 G791	P789-G793 VanDerWaalsContact CG-O 3.28Å; P789-G793 WeakPolarHBondContact CG-O 3.38Å; G791-G793 PolarHBondContact O-N 3.09Å
794	G	70.9	Confident	80.4	Confident	18 Å²	18	56.1 Å²	56.1	19%	0.186	35%	0.35	C	S	.	.			trans	-88.7	-153.6	179.7	0	0	0	0	0	112.6	P789 G791 S796	P789-G794 WeakPolarHBondContact O-CA 3.38Å; G791-G794 WeakPolarHBondContact O-CA 3.31Å; G791-G794 PolarHBondContact O-N 2.8Å; G794-S796 PolarHBondContact O-N 2.64Å
795	V	84.3	Confident	80.6	Confident	17 Å²	17	59.9 Å²	59.9	10%	0.103	38%	0.376	C	S	.	.	S	Bend	trans	-57.3	112.3	179.1	-179.9	0	0	0	0	110.7	F680 I683 R684 F718 N722 L788	F680-V795 HydrophobicContact CD1-CB 4.3Å; F680-V795 HydrophobicContact CD1-CG1 3.96Å; I683-V795 HydrophobicContact CB-CG1 4.34Å; I683-V795 HydrophobicContact CD1-CG1 3.56Å; I683-V795 HydrophobicContact CG2-CG1 4.31Å; R684-V795 HydrophobicContact CG-CG2 4.07Å; F718-V795 HydrophobicContact CD1-CG1 4.28Å; F718-V795 HydrophobicContact CE1-CG1 4.27Å; N722-V795 VanDerWaalsContact OD1-CA 3.27Å; N722-V795 WeakPolarHBondContact OD1-CA 3.29Å; L788-V795 HydrophobicContact CD1-CG2 4.13Å
796	S	88.3	Confident	80.8	Confident	33 Å²	33	58.7 Å²	58.7	23%	0.231	38%	0.377	C	S	.	.			trans	-77.5	144.5	179.2	41.6	0	0	0	0	111.2	F718 E721 N722 G794	F718-S796 WeakPolarHBondContact CD1-O 3.36Å; F718-S796 WeakPolarHBondContact CE1-O 3.29Å; E721-S796 WeakPolarHBondContact CG-OG 3.24Å; E721-S796 PolarHBondContact O-OG 2.84Å; N722-S796 PolarHBondContact ND2-O 3.09Å; N722-S796 PolarHBondContact ND2-OG 2.88Å; N722-S796 PolarHBondContact OD1-N 3.44Å; N722-S796 PolarHBondContact OD1-OG 2.86Å; N722-S796 VanDerWaalsContact OD1-OG 3.13Å; G794-S796 PolarHBondContact O-N 2.64Å
797	F	90.8	Very high	81.2	Confident	107 Å²	107	63.8 Å²	63.8	47%	0.469	40%	0.401	S	S	.	.			trans	-78.7	143.2	168.8	-177.3	-89	0	0	0	110	F680 L714 F718 C799 F801	F680-F797 HydrophobicContact CE1-CB 4.46Å; F680-F797 HydrophobicContact CZ-CB 4.21Å; F680-F797 HydrophobicContact CZ-CD2 4.01Å; L714-F797 HydrophobicContact CD1-CE2 4.41Å; F718-F797 HydrophobicContact CE1-CB 4.46Å; F718-F797 HydrophobicContact CE1-CD2 4.27Å; F718-F797 HydrophobicContact CE2-CD2 4.07Å; F718-F797 HydrophobicContact CE2-CE2 4.17Å; F718-F797 AromaticContact CZ-CD2 3.56Å; F718-F797 HydrophobicContact CZ-CD2 3.56Å; F718-F797 HydrophobicContact CZ-CE2 4.12Å; F718-F797 HydrophobicContact CZ-CG 4.39Å; F797-C799 PolarHBondContact O-N 3.41Å; F797-C799 VanDerWaalsContact O-N 3.11Å; F797-F801 AromaticContact CE1-CD2 3.71Å; F797-F801 HydrophobicContact CE1-CD2 3.71Å; F797-F801 HydrophobicContact CE1-CE2 4.38Å; F797-F801 HydrophobicContact CE1-CG 4.5Å; F797-F801 AromaticContact CZ-CD2 3.81Å; F797-F801 HydrophobicContact CZ-CD2 3.81Å; F797-F801 HydrophobicContact CZ-CE2 4.07Å
798	P	92.4	Very high	81.7	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.006	40%	0.4	C	S	.	.			trans	-62.2	115.7	-174.2	-22.7	34.4	0	0	0	112.8	L717 F718 W800 F801	L717-P798 HydrophobicContact CB-CB 3.88Å; L717-P798 HydrophobicContact CB-CG 3.85Å; F718-P798 HydrophobicContact CB-CG 4.22Å; F718-P798 HydrophobicContact CD1-CG 4.04Å; F718-P798 HydrophobicContact CD2-CG 3.75Å; F718-P798 HydrophobicContact CE2-CG 4.25Å; F718-P798 HydrophobicContact CG-CG 3.67Å; P798-W800 HydrophobicContact CB-CB 4.47Å; P798-W800 PolarHBondContact O-N 2.84Å; P798-F801 HydrophobicContact CB-CD2 4.08Å; P798-F801 HydrophobicContact CB-CE2 4.14Å; P798-F801 HydrophobicContact CG-CE2 4.27Å
799	C	92.7	Very high	82.2	Confident	59 Å²	59	68 Å²	68	40%	0.399	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.6	172.7	-67.9	0	0	0	0	111.6	E721 F797 F801 G802 K803	E721-C799 PolarHBondContact OE1-SG 3.49Å; E721-C799 VanDerWaalsContact OE2-CB 3.28Å; E721-C799 WeakPolarHBondContact OE2-CB 3.15Å; E721-C799 PolarHBondContact OE2-N 3.17Å; F797-C799 PolarHBondContact O-N 3.41Å; F797-C799 VanDerWaalsContact O-N 3.11Å; C799-F801 VanDerWaalsContact C-N 3.28Å; C799-F801 PolarHBondContact O-N 3.15Å; C799-G802 PolarHBondContact O-N 3.36Å; C799-G802 VanDerWaalsContact O-N 3.09Å; C799-K803 HydrophobicContact CB-CD 4.1Å; C799-K803 WeakPolarHBondContact O-CG 3.46Å; C799-K803 PolarHBondContact O-N 3.38Å
800	W	93.7	Very high	83	Confident	112 Å²	112	68.9 Å²	68.9	42%	0.424	42%	0.417	S	S	.	.	H	α-helix	trans	-48.8	-44.1	176.7	-175.3	93.8	0	0	0	113.1	L717 P798 G802 K803 N804	L717-W800 HydrophobicContact CD1-CD2 4.22Å; L717-W800 HydrophobicContact CD1-CE3 3.72Å; L717-W800 HydrophobicContact CD1-CZ3 4.08Å; L717-W800 HydrophobicContact CD2-CB 4.28Å; L717-W800 HydrophobicContact CD2-CD2 3.91Å; L717-W800 HydrophobicContact CD2-CE3 4.27Å; L717-W800 HydrophobicContact CD2-CG 3.9Å; P798-W800 HydrophobicContact CB-CB 4.47Å; P798-W800 PolarHBondContact O-N 2.84Å; W800-G802 VanDerWaalsContact C-N 3.35Å; W800-G802 PolarHBondContact O-N 2.87Å; W800-K803 PolarHBondContact O-N 2.88Å; W800-N804 HydrophobicContact CD2-CB 4.38Å; W800-N804 HydrophobicContact CE3-CB 4.43Å; W800-N804 WeakPolarHBondContact CH2-ND2 3.46Å; W800-N804 HydrophobicContact CZ2-CB 4.45Å; W800-N804 VanDerWaalsContact CZ2-ND2 3.31Å; W800-N804 WeakPolarHBondContact CZ2-ND2 3.48Å; W800-N804 WeakPolarHBondContact O-CB 3.46Å; W800-N804 PolarHBondContact O-N 2.97Å
801	F	91.9	Very high	84.6	Confident	82 Å²	82	68.8 Å²	68.8	36%	0.36	40%	0.399	S	S	.	.	H	α-helix	trans	-62	-41.3	179.5	-67.6	-75.6	0	0	0	112.6	L714 L717 F797 P798 C799 S805	L714-F801 HydrophobicContact CD1-CE2 3.52Å; L714-F801 HydrophobicContact CD1-CZ 3.74Å; L717-F801 HydrophobicContact CD1-CE1 4.06Å; L717-F801 HydrophobicContact CD1-CE2 3.72Å; L717-F801 HydrophobicContact CD1-CZ 3.43Å; L717-F801 VanDerWaalsContact CD1-CZ 3.43Å; F797-F801 AromaticContact CE1-CD2 3.71Å; F797-F801 HydrophobicContact CE1-CD2 3.71Å; F797-F801 HydrophobicContact CE1-CE2 4.38Å; F797-F801 HydrophobicContact CE1-CG 4.5Å; F797-F801 AromaticContact CZ-CD2 3.81Å; F797-F801 HydrophobicContact CZ-CD2 3.81Å; F797-F801 HydrophobicContact CZ-CE2 4.07Å; P798-F801 HydrophobicContact CB-CD2 4.08Å; P798-F801 HydrophobicContact CB-CE2 4.14Å; P798-F801 HydrophobicContact CG-CE2 4.27Å; C799-F801 VanDerWaalsContact C-N 3.28Å; C799-F801 PolarHBondContact O-N 3.15Å; F801-S805 WeakPolarHBondContact O-CB 3.35Å; F801-S805 PolarHBondContact O-N 3.4Å
802	G	92.6	Very high	86.3	Confident	44 Å²	44	75.2 Å²	75.2	45%	0.454	41%	0.41	S	S	.	.	H	α-helix	trans	-67.1	-48.3	176	0	0	0	0	0	111.8	C799 W800 S805 T806	C799-G802 PolarHBondContact O-N 3.36Å; C799-G802 VanDerWaalsContact O-N 3.09Å; W800-G802 VanDerWaalsContact C-N 3.35Å; W800-G802 PolarHBondContact O-N 2.87Å; G802-S805 PolarHBondContact O-N 3.32Å; G802-T806 PolarHBondContact O-N 2.85Å; G802-T806 PolarHBondContact O-OG1 3.35Å
803	K	93.5	Very high	88.4	Confident	130 Å²	130	69.1 Å²	69.1	57%	0.565	37%	0.369	S	S	*	.	H	α-helix	trans	-61	-43.9	179	-68.5	165.2	175.9	166.9	0	112.1	C799 W800 T806 Q807	C799-K803 HydrophobicContact CB-CD 4.1Å; C799-K803 WeakPolarHBondContact O-CG 3.46Å; C799-K803 PolarHBondContact O-N 3.38Å; W800-K803 PolarHBondContact O-N 2.88Å; K803-T806 PolarHBondContact O-N 2.79Å; K803-T806 PolarHBondContact O-OG1 3.09Å; K803-Q807 VanDerWaalsContact O-CB 3.29Å; K803-Q807 WeakPolarHBondContact O-CB 3.21Å; K803-Q807 PolarHBondContact O-N 3.22Å
804	N	93.2	Very high	90	Very high	53 Å²	53	66.4 Å²	66.4	28%	0.283	34%	0.341	S	S	.	.	H	α-helix	trans	-67.6	-38.9	176.2	-174.2	2.4	0	0	0	111.3	W800 T806 Q807 S808	W800-N804 HydrophobicContact CD2-CB 4.38Å; W800-N804 HydrophobicContact CE3-CB 4.43Å; W800-N804 WeakPolarHBondContact CH2-ND2 3.46Å; W800-N804 HydrophobicContact CZ2-CB 4.45Å; W800-N804 VanDerWaalsContact CZ2-ND2 3.31Å; W800-N804 WeakPolarHBondContact CZ2-ND2 3.48Å; W800-N804 WeakPolarHBondContact O-CB 3.46Å; W800-N804 PolarHBondContact O-N 2.97Å; N804-T806 PolarHBondContact O-N 2.91Å; N804-Q807 PolarHBondContact O-N 3.28Å; N804-S808 WeakPolarHBondContact O-CB 3.23Å; N804-S808 PolarHBondContact O-N 3.14Å; N804-S808 PolarHBondContact O-OG 3.29Å; N804-S808 PolarHBondContact OD1-OG 3.46Å
805	S	92.8	Very high	90.9	Very high	78 Å²	78	68.4 Å²	68.4	55%	0.545	35%	0.352	S	S	.	.	H	α-helix	trans	-66.1	-35.4	174.4	-175.4	0	0	0	0	113.2	F801 G802 R809	F801-S805 WeakPolarHBondContact O-CB 3.35Å; F801-S805 PolarHBondContact O-N 3.4Å; G802-S805 PolarHBondContact O-N 3.32Å; S805-R809 PolarHBondContact O-N 3.45Å; S805-R809 VanDerWaalsContact O-N 3.12Å
806	T	91.3	Very high	91	Very high	56 Å²	56	72.4 Å²	72.4	34%	0.344	37%	0.37	S	S	.	.	H	α-helix	trans	-74.9	-41.1	174.7	52.6	0	0	0	0	111.6	G802 K803 N804 S808 R809 I810	G802-T806 PolarHBondContact O-N 2.85Å; G802-T806 PolarHBondContact O-OG1 3.35Å; K803-T806 PolarHBondContact O-N 2.79Å; K803-T806 PolarHBondContact O-OG1 3.09Å; N804-T806 PolarHBondContact O-N 2.91Å; T806-S808 VanDerWaalsContact C-N 3.29Å; T806-S808 PolarHBondContact O-N 2.91Å; T806-R809 WeakPolarHBondContact O-CB 3.4Å; T806-R809 PolarHBondContact O-N 3.35Å; T806-R809 VanDerWaalsContact O-N 3.12Å; T806-I810 WeakPolarHBondContact O-CB 3.23Å; T806-I810 WeakPolarHBondContact O-CG1 3.35Å; T806-I810 PolarHBondContact O-N 2.91Å
807	Q	91.9	Very high	91	Very high	110 Å²	110	71 Å²	71	51%	0.514	36%	0.359	S	S	.	.	H	α-helix	trans	-58.2	-41.4	171.3	-174.3	179.6	6.5	0	0	111.5	K803 N804 R809 I810 N811	K803-Q807 VanDerWaalsContact O-CB 3.29Å; K803-Q807 WeakPolarHBondContact O-CB 3.21Å; K803-Q807 PolarHBondContact O-N 3.22Å; N804-Q807 PolarHBondContact O-N 3.28Å; Q807-R809 PolarHBondContact O-N 3.46Å; Q807-I810 PolarHBondContact O-N 2.81Å; Q807-N811 WeakPolarHBondContact O-CB 3.31Å; Q807-N811 PolarHBondContact O-N 3.06Å; Q807-N811 PolarHBondContact O-OD1 3.37Å
808	S	91.7	Very high	90.8	Very high	46 Å²	46	66.2 Å²	66.2	32%	0.322	34%	0.339	S	S	.	.	H	α-helix	trans	-66.8	-32.4	175.5	-68.4	0	0	0	0	113.1	N804 T806 R812	N804-S808 WeakPolarHBondContact O-CB 3.23Å; N804-S808 PolarHBondContact O-N 3.14Å; N804-S808 PolarHBondContact O-OG 3.29Å; N804-S808 PolarHBondContact OD1-OG 3.46Å; T806-S808 VanDerWaalsContact C-N 3.29Å; T806-S808 PolarHBondContact O-N 2.91Å; S808-R812 VanDerWaalsContact O-CG 3.29Å; S808-R812 WeakPolarHBondContact O-CG 3.42Å; S808-R812 PolarHBondContact O-N 3.4Å
809	R	91.4	Very high	90.5	Very high	113 Å²	113	69.2 Å²	69.2	43%	0.426	36%	0.36	S	S	.	.	H	α-helix	trans	-66.4	-52.4	169.4	-179.7	176.2	76.9	-124.2	8.1	110.4	S805 T806 Q807 N811 R812 T813 E878	S805-R809 PolarHBondContact O-N 3.45Å; S805-R809 VanDerWaalsContact O-N 3.12Å; T806-R809 WeakPolarHBondContact O-CB 3.4Å; T806-R809 PolarHBondContact O-N 3.35Å; T806-R809 VanDerWaalsContact O-N 3.12Å; Q807-R809 PolarHBondContact O-N 3.46Å; R809-N811 VanDerWaalsContact C-N 3.35Å; R809-N811 PolarHBondContact O-N 3.3Å; R809-R812 WeakPolarHBondContact O-CB 3.44Å; R809-R812 PolarHBondContact O-N 3.36Å; R809-R812 VanDerWaalsContact O-N 3.07Å; R809-T813 HydrophobicContact CG-CG2 4.45Å; R809-T813 PolarHBondContact O-N 3.27Å; R809-T813 PolarHBondContact O-OG1 3.14Å; R809-E878 IonicContact CZ-OE1 3.09Å; R809-E878 IonicContact NE-OE1 3.96Å; R809-E878 PolarHBondContact NE-OE1 3.11Å; R809-E878 IonicContact NH2-OE1 2.84Å; R809-E878 PolarHBondContact NH2-OE1 2.82Å; R809-E878 IonicContact NH2-OE2 3.59Å
810	I	89.6	Confident	90.2	Very high	55 Å²	55	67.2 Å²	67.2	28%	0.282	35%	0.345	S	S	.	.	H	α-helix	trans	-57.5	-44.9	-178.6	-75.4	164.8	0	0	0	111.4	T806 Q807 R812 T813 T814 L879	T806-I810 WeakPolarHBondContact O-CB 3.23Å; T806-I810 WeakPolarHBondContact O-CG1 3.35Å; T806-I810 PolarHBondContact O-N 2.91Å; Q807-I810 PolarHBondContact O-N 2.81Å; I810-R812 VanDerWaalsContact C-N 3.28Å; I810-R812 PolarHBondContact O-N 3.3Å; I810-T813 PolarHBondContact O-N 3.29Å; I810-T813 PolarHBondContact O-OG1 2.68Å; I810-T814 VanDerWaalsContact O-CB 3.31Å; I810-T814 WeakPolarHBondContact O-CB 3.24Å; I810-T814 PolarHBondContact O-N 3.01Å; I810-T814 PolarHBondContact O-OG1 3.25Å; I810-L879 HydrophobicContact CB-CD2 4.36Å; I810-L879 HydrophobicContact CG1-CD2 4.21Å; I810-L879 HydrophobicContact CG2-CD2 3.73Å
811	N	90.3	Very high	89.8	Confident	73 Å²	73	62 Å²	62	39%	0.39	33%	0.326	S	S	.	.	H	α-helix	trans	-63.4	-34.6	177.9	-72.6	-5.5	0	0	0	112	Q807 R809 S815	Q807-N811 WeakPolarHBondContact O-CB 3.31Å; Q807-N811 PolarHBondContact O-N 3.06Å; Q807-N811 PolarHBondContact O-OD1 3.37Å; R809-N811 VanDerWaalsContact C-N 3.35Å; R809-N811 PolarHBondContact O-N 3.3Å; N811-S815 VanDerWaalsContact O-CB 3.31Å; N811-S815 WeakPolarHBondContact O-CB 3.39Å; N811-S815 PolarHBondContact O-N 3.41Å; N811-S815 VanDerWaalsContact O-N 3.11Å; N811-S815 PolarHBondContact O-OG 3.39Å
812	R	89.5	Confident	89.4	Confident	178 Å²	178	65.9 Å²	65.9	67%	0.672	34%	0.338	S	S	*	.	H	α-helix	trans	-70	-52.8	174.8	-70.5	172.1	-172.2	-164.4	1.7	111.1	S808 R809 I810 T814 S815 E816	S808-R812 VanDerWaalsContact O-CG 3.29Å; S808-R812 WeakPolarHBondContact O-CG 3.42Å; S808-R812 PolarHBondContact O-N 3.4Å; R809-R812 WeakPolarHBondContact O-CB 3.44Å; R809-R812 PolarHBondContact O-N 3.36Å; R809-R812 VanDerWaalsContact O-N 3.07Å; I810-R812 VanDerWaalsContact C-N 3.28Å; I810-R812 PolarHBondContact O-N 3.3Å; R812-T814 VanDerWaalsContact C-N 3.32Å; R812-T814 PolarHBondContact O-N 3.47Å; R812-S815 PolarHBondContact O-N 3.28Å; R812-E816 WeakPolarHBondContact O-CB 3.45Å; R812-E816 PolarHBondContact O-N 3.41Å
813	T	89.2	Confident	89	Confident	25 Å²	25	69.7 Å²	69.7	15%	0.153	35%	0.347	C	S	.	.	H	α-helix	trans	-63	-37.3	-179.4	53.9	0	0	0	0	112.2	R809 I810 E816 L817	R809-T813 HydrophobicContact CG-CG2 4.45Å; R809-T813 PolarHBondContact O-N 3.27Å; R809-T813 PolarHBondContact O-OG1 3.14Å; I810-T813 PolarHBondContact O-N 3.29Å; I810-T813 PolarHBondContact O-OG1 2.68Å; T813-E816 PolarHBondContact O-N 3.45Å; T813-L817 VanDerWaalsContact O-CB 3.24Å; T813-L817 WeakPolarHBondContact O-CB 3.48Å; T813-L817 WeakPolarHBondContact O-CD1 3.48Å; T813-L817 VanDerWaalsContact O-CG 3.23Å; T813-L817 WeakPolarHBondContact O-CG 3.42Å; T813-L817 PolarHBondContact O-N 2.71Å
814	T	89	Confident	88.5	Confident	4 Å²	4	65.4 Å²	65.4	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-69.2	-32.7	174.2	-50.5	0	0	0	0	112	I810 R812 A818 P832 L835 L879	I810-T814 VanDerWaalsContact O-CB 3.31Å; I810-T814 WeakPolarHBondContact O-CB 3.24Å; I810-T814 PolarHBondContact O-N 3.01Å; I810-T814 PolarHBondContact O-OG1 3.25Å; R812-T814 VanDerWaalsContact C-N 3.32Å; R812-T814 PolarHBondContact O-N 3.47Å; T814-A818 WeakPolarHBondContact O-CB 3.43Å; T814-A818 PolarHBondContact O-N 2.98Å; T814-P832 HydrophobicContact CG2-CB 4.04Å; T814-P832 WeakPolarHBondContact CG2-O 3.34Å; T814-L835 HydrophobicContact CG2-CB 4.39Å; T814-L835 HydrophobicContact CG2-CD2 4.32Å; T814-L879 WeakPolarHBondContact OG1-CD1 3.35Å
815	S	87.8	Confident	87.9	Confident	60 Å²	60	63.4 Å²	63.4	42%	0.42	33%	0.326	S	S	.	.	H	α-helix	trans	-72.8	-38	174.7	-59.1	0	0	0	0	112.4	N811 R812 A818 S819	N811-S815 VanDerWaalsContact O-CB 3.31Å; N811-S815 WeakPolarHBondContact O-CB 3.39Å; N811-S815 PolarHBondContact O-N 3.41Å; N811-S815 VanDerWaalsContact O-N 3.11Å; N811-S815 PolarHBondContact O-OG 3.39Å; R812-S815 PolarHBondContact O-N 3.28Å; S815-A818 PolarHBondContact O-N 3.31Å; S815-S819 PolarHBondContact O-N 3.1Å
816	E	87.2	Confident	87.1	Confident	102 Å²	102	67.6 Å²	67.6	48%	0.477	34%	0.337	S	S	.	.	H	α-helix	trans	-62.5	-54.5	173.5	-177.7	169.3	-166	0	0	110.2	R812 T813 A818 S819 H820	R812-E816 WeakPolarHBondContact O-CB 3.45Å; R812-E816 PolarHBondContact O-N 3.41Å; T813-E816 PolarHBondContact O-N 3.45Å; E816-A818 VanDerWaalsContact C-N 3.33Å; E816-A818 PolarHBondContact O-N 3.03Å; E816-S819 WeakPolarHBondContact O-CA 3.43Å; E816-S819 WeakPolarHBondContact O-CB 3.28Å; E816-S819 PolarHBondContact O-N 3.13Å; E816-S819 PolarHBondContact O-OG 3.49Å; E816-H820 VanDerWaalsContact CG-CE1 3.45Å; E816-H820 WeakPolarHBondContact CG-CE1 3.06Å; E816-H820 PolarHBondContact O-CD2 2.71Å; E816-H820 PolarHBondContact O-N 3.3Å
817	L	87.7	Confident	85.8	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-53.7	-44.9	171.5	-78.6	164.3	0	0	0	112.9	T813 S819 H820 L821 L835 D872 I876 L879	T813-L817 VanDerWaalsContact O-CB 3.24Å; T813-L817 WeakPolarHBondContact O-CB 3.48Å; T813-L817 WeakPolarHBondContact O-CD1 3.48Å; T813-L817 VanDerWaalsContact O-CG 3.23Å; T813-L817 WeakPolarHBondContact O-CG 3.42Å; T813-L817 PolarHBondContact O-N 2.71Å; L817-S819 PolarHBondContact O-N 3.09Å; L817-H820 PolarHBondContact O-N 3.13Å; L817-L821 VanDerWaalsContact O-CB 3.29Å; L817-L821 WeakPolarHBondContact O-CB 3.44Å; L817-L821 WeakPolarHBondContact O-CG 3.28Å; L817-L821 PolarHBondContact O-N 3.31Å; L817-L835 HydrophobicContact CB-CD2 3.67Å; L817-D872 HydrophobicContact CD2-CB 3.53Å; L817-D872 VanDerWaalsContact CD2-OD1 3.23Å; L817-D872 WeakPolarHBondContact CD2-OD1 3.02Å; L817-I876 HydrophobicContact CD1-CG1 4.07Å; L817-I876 HydrophobicContact CD2-CD1 3.83Å; L817-I876 HydrophobicContact CD2-CG1 3.7Å; L817-L879 HydrophobicContact CD1-CD1 3.46Å; L817-L879 VanDerWaalsContact CD1-CD1 3.46Å
818	A	87.6	Confident	84.3	Confident	7 Å²	7	61 Å²	61	6%	0.058	31%	0.308	C	S	.	.	H	α-helix	trans	-68.4	-19.2	177.8	0	0	0	0	0	113.1	T814 S815 E816 R822 P832 L835	T814-A818 WeakPolarHBondContact O-CB 3.43Å; T814-A818 PolarHBondContact O-N 2.98Å; S815-A818 PolarHBondContact O-N 3.31Å; E816-A818 VanDerWaalsContact C-N 3.33Å; E816-A818 PolarHBondContact O-N 3.03Å; A818-R822 WeakPolarHBondContact O-CB 3.45Å; A818-P832 HydrophobicContact CB-CB 4.21Å; A818-L835 HydrophobicContact CB-CD2 4.32Å
819	S	85.1	Confident	83	Confident	64 Å²	64	63 Å²	63	45%	0.448	32%	0.322	S	S	.	.	H	α-helix	trans	-83.2	-41.4	170.9	82	0	0	0	0	112	S815 E816 L817 R822	S815-S819 PolarHBondContact O-N 3.1Å; E816-S819 WeakPolarHBondContact O-CA 3.43Å; E816-S819 WeakPolarHBondContact O-CB 3.28Å; E816-S819 PolarHBondContact O-N 3.13Å; E816-S819 PolarHBondContact O-OG 3.49Å; L817-S819 PolarHBondContact O-N 3.09Å; S819-R822 WeakPolarHBondContact O-CB 3.37Å; S819-R822 PolarHBondContact O-N 3.47Å
820	H	86.5	Confident	81.9	Confident	17 Å²	17	62.6 Å²	62.6	8%	0.079	34%	0.337	C	S	.	.	H	α-helix	trans	-64.8	-45.7	176.4	-60.5	167.7	0	0	0	111.1	E816 L817 R822 D872 Y913	E816-H820 VanDerWaalsContact CG-CE1 3.45Å; E816-H820 WeakPolarHBondContact CG-CE1 3.06Å; E816-H820 PolarHBondContact O-CD2 2.71Å; E816-H820 PolarHBondContact O-N 3.3Å; L817-H820 PolarHBondContact O-N 3.13Å; H820-R822 PolarHBondContact O-N 3.32Å; H820-D872 IonicContact CE1-OD1 3.18Å; H820-D872 IonicContact CE1-OD2 3.47Å; H820-D872 IonicContact CG-OD1 3.99Å; H820-D872 VanDerWaalsContact ND1-CG 3.32Å; H820-D872 IonicContact ND1-OD1 3.1Å; H820-D872 PolarHBondContact ND1-OD1 3.31Å; H820-D872 IonicContact ND1-OD2 3.32Å; H820-D872 PolarHBondContact ND1-OD2 3.35Å; H820-D872 VanDerWaalsContact ND1-OD2 3.09Å; H820-Y913 HydrophobicContact CB-CD1 4.25Å; H820-Y913 HydrophobicContact CB-CE1 3.57Å; H820-Y913 AromaticContact CD2-CD1 3.51Å; H820-Y913 AromaticContact CD2-CD2 3.55Å; H820-Y913 AromaticContact CD2-CE1 3.51Å; H820-Y913 AromaticContact CD2-CE2 3.53Å; H820-Y913 AromaticContact CD2-CG 3.55Å; H820-Y913 AromaticContact CD2-CZ 3.51Å; H820-Y913 AromaticContact CE1-CE2 3.79Å; H820-Y913 AromaticContact CG-CE1 3.57Å; H820-Y913 AromaticContact CG-CE2 3.85Å; H820-Y913 AromaticContact CG-CZ 3.45Å; H820-Y913 VanDerWaalsContact CG-CZ 3.45Å; H820-Y913 AromaticContact ND1-CE2 4Å; H820-Y913 AromaticContact ND1-CZ 3.86Å; H820-Y913 AromaticContact NE2-CD2 3.5Å; H820-Y913 WeakPolarHBondContact NE2-CD2 3.37Å; H820-Y913 AromaticContact NE2-CE2 3.51Å; H820-Y913 AromaticContact NE2-CG 3.94Å; H820-Y913 AromaticContact NE2-CZ 3.96Å
821	L	85.8	Confident	81.3	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.01	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	2.4	178	-71.3	163.5	0	0	0	114.1	L817 L823 A824 T825 L835 I843 Y866 I868	L817-L821 VanDerWaalsContact O-CB 3.29Å; L817-L821 WeakPolarHBondContact O-CB 3.44Å; L817-L821 WeakPolarHBondContact O-CG 3.28Å; L817-L821 PolarHBondContact O-N 3.31Å; L821-L823 VanDerWaalsContact C-N 3.33Å; L821-L823 PolarHBondContact O-N 3.27Å; L821-A824 PolarHBondContact O-N 2.78Å; L821-T825 PolarHBondContact O-N 3.28Å; L821-T825 PolarHBondContact O-OG1 3.41Å; L821-L835 HydrophobicContact CD1-CD1 3.66Å; L821-L835 HydrophobicContact CD1-CD2 4.09Å; L821-L835 HydrophobicContact CD1-CG 4.49Å; L821-I843 HydrophobicContact CD1-CD1 4.16Å; L821-Y866 HydrophobicContact CD2-CD1 4.09Å; L821-Y866 HydrophobicContact CD2-CG 4.47Å; L821-Y866 WeakPolarHBondContact CD2-O 3.43Å; L821-I868 HydrophobicContact CD2-CD1 4.09Å; L821-I868 HydrophobicContact CD2-CG1 3.88Å
822	R	84.5	Confident	80.9	Confident	164 Å²	164	62 Å²	62	62%	0.619	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-26	-171	-168.9	171.4	176.6	173.1	1.2	114.5	A818 S819 H820	A818-R822 WeakPolarHBondContact O-CB 3.45Å; S819-R822 WeakPolarHBondContact O-CB 3.37Å; S819-R822 PolarHBondContact O-N 3.47Å; H820-R822 PolarHBondContact O-N 3.32Å
823	L	83.8	Confident	80.6	Confident	125 Å²	125	57.4 Å²	57.4	65%	0.654	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-29.5	176	-58.9	-170.4	0	0	0	112.5	L821 P912	L821-L823 VanDerWaalsContact C-N 3.33Å; L821-L823 PolarHBondContact O-N 3.27Å; L823-P912 HydrophobicContact CD1-CB 3.79Å; L823-P912 HydrophobicContact CD1-CG 3.79Å
824	A	82.6	Confident	80.4	Confident	39 Å²	39	58.1 Å²	58.1	32%	0.322	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-18.9	-180	0	0	0	0	0	113.6	L821 Y866	L821-A824 PolarHBondContact O-N 2.78Å; A824-Y866 HydrophobicContact CB-CD1 3.67Å; A824-Y866 HydrophobicContact CB-CE1 4.29Å; A824-Y866 HydrophobicContact CB-CG 4.31Å
825	T	79.6	Confident	80.2	Confident	12 Å²	12	58.1 Å²	58.1	7%	0.074	33%	0.329	C	S	.	.			trans	-141.4	145.7	-177.5	72.4	0	0	0	0	111.4	L821 C827 Y839 Y866	L821-T825 PolarHBondContact O-N 3.28Å; L821-T825 PolarHBondContact O-OG1 3.41Å; T825-C827 PolarHBondContact O-N 3.33Å; T825-C827 VanDerWaalsContact OG1-CB 3.28Å; T825-C827 WeakPolarHBondContact OG1-CB 3.38Å; T825-C827 PolarHBondContact OG1-N 2.62Å; T825-Y839 HydrophobicContact CG2-CD1 4.17Å; T825-Y839 HydrophobicContact CG2-CE1 4.05Å; T825-Y866 HydrophobicContact CG2-CD1 4.21Å; T825-Y866 HydrophobicContact CG2-CE1 4.12Å
826	H	77.4	Confident	80.1	Confident	166 Å²	166	57.1 Å²	57.1	77%	0.769	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-69	1.2	171.4	-60.6	-65.8	0	0	0	113.7	G828 S829	H826-G828 PolarHBondContact O-N 3.28Å; H826-S829 WeakPolarHBondContact O-CB 3.35Å; H826-S829 PolarHBondContact O-N 3.09Å; H826-S829 PolarHBondContact O-OG 3.16Å
827	C	63.9	Low	80.1	Confident	4 Å²	4	58.3 Å²	58.3	3%	0.027	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-70.5	-30.1	-161.6	-151.6	0	0	0	0	114.1	T825 S829 L835 Y839	T825-C827 PolarHBondContact O-N 3.33Å; T825-C827 VanDerWaalsContact OG1-CB 3.28Å; T825-C827 WeakPolarHBondContact OG1-CB 3.38Å; T825-C827 PolarHBondContact OG1-N 2.62Å; C827-S829 VanDerWaalsContact C-N 3.27Å; C827-S829 PolarHBondContact O-N 3.26Å; C827-L835 HydrophobicContact CB-CD1 4.03Å; C827-L835 WeakPolarHBondContact SG-CA 3.25Å; C827-L835 PolarHBondContact SG-N 2.96Å; C827-Y839 HydrophobicContact CB-CD2 4.14Å; C827-Y839 HydrophobicContact CB-CE2 4.11Å; C827-Y839 WeakPolarHBondContact SG-CD2 3.47Å
828	G	60.6	Low	80.1	Confident	22 Å²	22	62.9 Å²	62.9	23%	0.227	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-82.3	11.4	177.7	0	0	0	0	0	115.7	H826	H826-G828 PolarHBondContact O-N 3.28Å
829	S	63	Low	80.1	Confident	89 Å²	89	66.8 Å²	66.8	62%	0.622	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-31.9	-170.3	61.1	0	0	0	0	115.4	H826 C827	H826-S829 WeakPolarHBondContact O-CB 3.35Å; H826-S829 PolarHBondContact O-N 3.09Å; H826-S829 PolarHBondContact O-OG 3.16Å; C827-S829 VanDerWaalsContact C-N 3.27Å; C827-S829 PolarHBondContact O-N 3.26Å
830	S	68.3	Low	80.3	Confident	105 Å²	105	64 Å²	64	73%	0.734	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.6	-42.1	-172.4	59.7	0	0	0	0	114
831	N	77.5	Confident	80.4	Confident	67 Å²	67	65.1 Å²	65.1	36%	0.358	36%	0.355	S	S	.	.			trans	-156	122	-178.4	-173.8	-9.2	0	0	0	111	L833 T834	N831-L833 PolarHBondContact O-N 3.1Å; N831-L833 VanDerWaalsContact O-N 3.1Å; N831-L833 WeakPolarHBondContact OD1-CB 3.39Å; N831-L833 WeakPolarHBondContact OD1-CG 3.26Å; N831-L833 PolarHBondContact OD1-N 3.34Å; N831-T834 WeakPolarHBondContact O-CB 3.49Å; N831-T834 PolarHBondContact O-N 3.06Å; N831-T834 PolarHBondContact O-OG1 3.44Å
832	P	81.7	Confident	80.6	Confident	47 Å²	47	68.2 Å²	68.2	31%	0.305	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19	176.7	25.4	-34.4	0	0	0	113.6	T814 A818 T834 L835	T814-P832 HydrophobicContact CG2-CB 4.04Å; T814-P832 WeakPolarHBondContact CG2-O 3.34Å; A818-P832 HydrophobicContact CB-CB 4.21Å; P832-T834 PolarHBondContact O-N 3.46Å; P832-L835 VanDerWaalsContact O-CB 3.31Å; P832-L835 WeakPolarHBondContact O-CB 3.38Å; P832-L835 PolarHBondContact O-N 3.23Å; P832-L835 VanDerWaalsContact O-N 3.12Å
833	L	83.9	Confident	80.8	Confident	82 Å²	82	60.8 Å²	60.8	43%	0.429	35%	0.348	S	S	.	.	H	α-helix	trans	-64.6	-26.1	173.9	-62.8	176.4	0	0	0	113.3	N831 L835 L836 L837	N831-L833 PolarHBondContact O-N 3.1Å; N831-L833 VanDerWaalsContact O-N 3.1Å; N831-L833 WeakPolarHBondContact OD1-CB 3.39Å; N831-L833 WeakPolarHBondContact OD1-CG 3.26Å; N831-L833 PolarHBondContact OD1-N 3.34Å; L833-L835 PolarHBondContact O-N 3.17Å; L833-L836 PolarHBondContact O-N 3.1Å; L833-L836 VanDerWaalsContact O-N 3.12Å; L833-L837 WeakPolarHBondContact O-CG 3.23Å; L833-L837 PolarHBondContact O-N 3.37Å
834	T	85	Confident	81.1	Confident	40 Å²	40	54.9 Å²	54.9	25%	0.245	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-31.6	173.1	-58.5	0	0	0	0	111.2	N831 P832 D838	N831-T834 WeakPolarHBondContact O-CB 3.49Å; N831-T834 PolarHBondContact O-N 3.06Å; N831-T834 PolarHBondContact O-OG1 3.44Å; P832-T834 PolarHBondContact O-N 3.46Å; T834-D838 WeakPolarHBondContact CG2-OD2 3.18Å; T834-D838 PolarHBondContact O-N 3.16Å
835	L	85.6	Confident	81.4	Confident	5 Å²	5	57 Å²	57	3%	0.026	32%	0.32	C	S	.	.	I	π-helix	trans	-67.1	-43	175.4	-170.9	76	0	0	0	111.3	T814 L817 A818 L821 C827 P832 L833 Y839 A840	T814-L835 HydrophobicContact CG2-CB 4.39Å; T814-L835 HydrophobicContact CG2-CD2 4.32Å; L817-L835 HydrophobicContact CB-CD2 3.67Å; A818-L835 HydrophobicContact CB-CD2 4.32Å; L821-L835 HydrophobicContact CD1-CD1 3.66Å; L821-L835 HydrophobicContact CD1-CD2 4.09Å; L821-L835 HydrophobicContact CD1-CG 4.49Å; C827-L835 HydrophobicContact CB-CD1 4.03Å; C827-L835 WeakPolarHBondContact SG-CA 3.25Å; C827-L835 PolarHBondContact SG-N 2.96Å; P832-L835 VanDerWaalsContact O-CB 3.31Å; P832-L835 WeakPolarHBondContact O-CB 3.38Å; P832-L835 PolarHBondContact O-N 3.23Å; P832-L835 VanDerWaalsContact O-N 3.12Å; L833-L835 PolarHBondContact O-N 3.17Å; L835-Y839 HydrophobicContact CD1-CG 4.43Å; L835-Y839 PolarHBondContact O-N 3.02Å; L835-A840 VanDerWaalsContact O-CB 3.3Å; L835-A840 WeakPolarHBondContact O-CB 3Å; L835-A840 PolarHBondContact O-N 3.46Å
836	L	85.6	Confident	81.9	Confident	38 Å²	38	60.9 Å²	60.9	20%	0.199	34%	0.34	C	S	.	.	I	π-helix	trans	-68.3	-38.9	-179.2	-176.6	62.4	0	0	0	112.5	L833 L879	L833-L836 PolarHBondContact O-N 3.1Å; L833-L836 VanDerWaalsContact O-N 3.12Å; L836-L879 HydrophobicContact CD1-CB 3.91Å; L836-L879 HydrophobicContact CD1-CD2 4.28Å
837	L	86.4	Confident	82.5	Confident	128 Å²	128	53 Å²	53	67%	0.67	30%	0.303	S	S	*	.	I	π-helix	trans	-76.2	-54.8	-177.2	-66.4	172.1	0	0	0	112.1	L833	L833-L837 WeakPolarHBondContact O-CG 3.23Å; L833-L837 PolarHBondContact O-N 3.37Å
838	D	87.6	Confident	83.7	Confident	98 Å²	98	52.9 Å²	52.9	52%	0.524	30%	0.303	S	S	.	.	I	π-helix	trans	-98.4	-40	-165.6	-52.6	-39.4	0	0	0	112.7	T834 P842	T834-D838 WeakPolarHBondContact CG2-OD2 3.18Å; T834-D838 PolarHBondContact O-N 3.16Å; D838-P842 VanDerWaalsContact O-CD 3.26Å; D838-P842 WeakPolarHBondContact O-CD 3.37Å; D838-P842 WeakPolarHBondContact O-CG 3.42Å
839	Y	88.3	Confident	85	Confident	88 Å²	88	58 Å²	58	35%	0.345	32%	0.315	S	S	.	.	I	π-helix	trans	-99.2	-36.3	-167.8	-74.7	-98.3	0	0	0	114.3	T825 C827 L835 T841 P842 I843	T825-Y839 HydrophobicContact CG2-CD1 4.17Å; T825-Y839 HydrophobicContact CG2-CE1 4.05Å; C827-Y839 HydrophobicContact CB-CD2 4.14Å; C827-Y839 HydrophobicContact CB-CE2 4.11Å; C827-Y839 WeakPolarHBondContact SG-CD2 3.47Å; L835-Y839 HydrophobicContact CD1-CG 4.43Å; L835-Y839 PolarHBondContact O-N 3.02Å; Y839-T841 VanDerWaalsContact C-N 3.34Å; Y839-T841 PolarHBondContact O-N 3.13Å; Y839-P842 WeakPolarHBondContact O-CD 3.48Å; Y839-I843 WeakPolarHBondContact O-CB 3.49Å; Y839-I843 VanDerWaalsContact O-CG1 3.24Å; Y839-I843 WeakPolarHBondContact O-CG1 3.41Å; Y839-I843 PolarHBondContact O-N 3.46Å
840	A	87.9	Confident	86.2	Confident	5 Å²	5	54.8 Å²	54.8	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-40.5	-170.9	0	0	0	0	0	112.5	L835 S844 T880	L835-A840 VanDerWaalsContact O-CB 3.3Å; L835-A840 WeakPolarHBondContact O-CB 3Å; L835-A840 PolarHBondContact O-N 3.46Å; A840-S844 VanDerWaalsContact O-CB 3.32Å; A840-S844 WeakPolarHBondContact O-CB 3.31Å; A840-S844 PolarHBondContact O-N 3.09Å; A840-S844 PolarHBondContact O-OG 3.25Å; A840-T880 HydrophobicContact CB-CG2 3.88Å; A840-T880 WeakPolarHBondContact O-CG2 3.47Å
841	T	88.6	Confident	87.2	Confident	42 Å²	42	50 Å²	50	26%	0.258	26%	0.258	S	S	.	.	H	α-helix	trans	-66.8	-52.6	178.2	-62.9	0	0	0	0	111.8	Y839 I843 S844 E845	Y839-T841 VanDerWaalsContact C-N 3.34Å; Y839-T841 PolarHBondContact O-N 3.13Å; T841-I843 PolarHBondContact O-N 3.21Å; T841-S844 PolarHBondContact O-N 2.71Å; T841-S844 PolarHBondContact O-OG 2.93Å; T841-E845 PolarHBondContact O-N 3.41Å; T841-E845 VanDerWaalsContact O-N 3.14Å
842	P	90.1	Very high	87.7	Confident	66 Å²	66	52.9 Å²	52.9	43%	0.429	27%	0.267	S	S	.	.	H	α-helix	trans	-54.5	-46.6	171.6	-29.8	36.2	0	0	0	114.4	D838 Y839 S844 E845 L846	D838-P842 VanDerWaalsContact O-CD 3.26Å; D838-P842 WeakPolarHBondContact O-CD 3.37Å; D838-P842 WeakPolarHBondContact O-CG 3.42Å; Y839-P842 WeakPolarHBondContact O-CD 3.48Å; P842-S844 VanDerWaalsContact C-N 3.32Å; P842-S844 PolarHBondContact O-N 3.23Å; P842-E845 WeakPolarHBondContact O-CB 3.28Å; P842-E845 PolarHBondContact O-N 3.35Å; P842-L846 WeakPolarHBondContact O-CG 3.48Å; P842-L846 PolarHBondContact O-N 3.5Å
843	I	89.4	Confident	87.9	Confident	9 Å²	9	57 Å²	57	5%	0.046	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-41.8	178.6	-67.9	171.9	0	0	0	110.7	L821 Y839 T841 E845 L846 I847 F862 I868 I876	L821-I843 HydrophobicContact CD1-CD1 4.16Å; Y839-I843 WeakPolarHBondContact O-CB 3.49Å; Y839-I843 VanDerWaalsContact O-CG1 3.24Å; Y839-I843 WeakPolarHBondContact O-CG1 3.41Å; Y839-I843 PolarHBondContact O-N 3.46Å; T841-I843 PolarHBondContact O-N 3.21Å; I843-E845 PolarHBondContact O-N 3.12Å; I843-L846 PolarHBondContact O-N 3.16Å; I843-I847 HydrophobicContact CG2-CD1 3.77Å; I843-I847 VanDerWaalsContact O-CG1 3.32Å; I843-I847 WeakPolarHBondContact O-CG1 3.43Å; I843-I847 PolarHBondContact O-N 2.88Å; I843-F862 HydrophobicContact CG1-CZ 4.38Å; I843-F862 HydrophobicContact CG2-CE1 4.06Å; I843-F862 HydrophobicContact CG2-CZ 4.21Å; I843-I868 HydrophobicContact CG2-CD1 4.11Å; I843-I876 HydrophobicContact CG2-CD1 3.91Å; I843-I876 HydrophobicContact CG2-CG2 4.28Å
844	S	90.1	Very high	87.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-30.6	175.9	78.3	0	0	0	0	113	A840 T841 P842 T848 R888	A840-S844 VanDerWaalsContact O-CB 3.32Å; A840-S844 WeakPolarHBondContact O-CB 3.31Å; A840-S844 PolarHBondContact O-N 3.09Å; A840-S844 PolarHBondContact O-OG 3.25Å; T841-S844 PolarHBondContact O-N 2.71Å; T841-S844 PolarHBondContact O-OG 2.93Å; P842-S844 VanDerWaalsContact C-N 3.32Å; P842-S844 PolarHBondContact O-N 3.23Å; S844-T848 WeakPolarHBondContact O-CB 3.34Å; S844-T848 WeakPolarHBondContact O-CG2 3.48Å; S844-T848 PolarHBondContact O-N 3.11Å; S844-T848 VanDerWaalsContact O-N 3.09Å; S844-T848 PolarHBondContact O-OG1 3.35Å; S844-R888 WeakPolarHBondContact OG-CD 3.47Å; S844-R888 PolarHBondContact OG-NE 3.46Å
845	E	89	Confident	88	Confident	85 Å²	85	56 Å²	56	40%	0.397	29%	0.286	S	S	.	.	H	α-helix	trans	-78.8	-45.8	177.7	-169	155.2	137.9	0	0	112.1	T841 P842 I843 I847 T848 R849 R888	T841-E845 PolarHBondContact O-N 3.41Å; T841-E845 VanDerWaalsContact O-N 3.14Å; P842-E845 WeakPolarHBondContact O-CB 3.28Å; P842-E845 PolarHBondContact O-N 3.35Å; I843-E845 PolarHBondContact O-N 3.12Å; E845-I847 PolarHBondContact O-N 2.99Å; E845-T848 PolarHBondContact O-N 2.74Å; E845-T848 VanDerWaalsContact O-N 3.12Å; E845-R849 VanDerWaalsContact O-CB 3.29Å; E845-R849 WeakPolarHBondContact O-CB 3.19Å; E845-R849 PolarHBondContact O-N 2.59Å; E845-R888 IonicContact OE2-CZ 2.61Å; E845-R888 IonicContact OE2-NH1 3.19Å; E845-R888 PolarHBondContact OE2-NH1 3.04Å; E845-R888 IonicContact OE2-NH2 2.65Å; E845-R888 PolarHBondContact OE2-NH2 2.7Å
846	L	90.2	Very high	88.2	Confident	92 Å²	92	57.4 Å²	57.4	48%	0.482	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-31.2	176.5	-67.4	170.8	0	0	0	112.4	P842 I843 P850 F862	P842-L846 WeakPolarHBondContact O-CG 3.48Å; P842-L846 PolarHBondContact O-N 3.5Å; I843-L846 PolarHBondContact O-N 3.16Å; L846-P850 WeakPolarHBondContact O-CD 3.32Å; L846-P850 WeakPolarHBondContact O-CG 3.2Å; L846-F862 HydrophobicContact CB-CD2 4.29Å; L846-F862 HydrophobicContact CB-CE2 3.79Å; L846-F862 HydrophobicContact CB-CZ 3.93Å; L846-F862 HydrophobicContact CD1-CE2 3.71Å; L846-F862 HydrophobicContact CD1-CZ 4.12Å; L846-F862 HydrophobicContact CG-CE2 4.36Å
847	I	89.5	Confident	88.3	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-76.3	-45.9	170.8	-64.9	166.1	0	0	0	111.4	I843 E845 L851 F862 L863 I868 V873 I876 M877	I843-I847 HydrophobicContact CG2-CD1 3.77Å; I843-I847 VanDerWaalsContact O-CG1 3.32Å; I843-I847 WeakPolarHBondContact O-CG1 3.43Å; I843-I847 PolarHBondContact O-N 2.88Å; E845-I847 PolarHBondContact O-N 2.99Å; I847-L851 HydrophobicContact CG2-CD1 3.94Å; I847-L851 VanDerWaalsContact O-CD1 3.26Å; I847-L851 WeakPolarHBondContact O-CD1 3.42Å; I847-L851 VanDerWaalsContact O-CG 3.23Å; I847-L851 WeakPolarHBondContact O-CG 3.3Å; I847-F862 HydrophobicContact CD1-CD1 4.46Å; I847-F862 HydrophobicContact CD1-CE1 4.07Å; I847-F862 HydrophobicContact CG1-CD1 3.75Å; I847-F862 HydrophobicContact CG1-CE1 3.65Å; I847-L863 HydrophobicContact CD1-CD2 4.13Å; I847-L863 HydrophobicContact CG1-CD2 4.37Å; I847-I868 HydrophobicContact CD1-CD1 4.41Å; I847-V873 HydrophobicContact CD1-CG2 4.37Å; I847-V873 HydrophobicContact CG2-CG1 4.2Å; I847-I876 HydrophobicContact CD1-CD1 4.5Å; I847-M877 HydrophobicContact CB-CE 4.36Å; I847-M877 HydrophobicContact CG2-CE 4.28Å
848	T	88.9	Confident	88.4	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-82.8	-19.4	-171.1	54.3	0	0	0	0	115.2	S844 E845 K852 M877 R888 M889	S844-T848 WeakPolarHBondContact O-CB 3.34Å; S844-T848 WeakPolarHBondContact O-CG2 3.48Å; S844-T848 PolarHBondContact O-N 3.11Å; S844-T848 VanDerWaalsContact O-N 3.09Å; S844-T848 PolarHBondContact O-OG1 3.35Å; E845-T848 PolarHBondContact O-N 2.74Å; E845-T848 VanDerWaalsContact O-N 3.12Å; T848-K852 WeakPolarHBondContact O-CG 3.46Å; T848-K852 PolarHBondContact O-N 3.38Å; T848-K852 VanDerWaalsContact O-N 3.15Å; T848-M877 HydrophobicContact CG2-CE 3.67Å; T848-M877 HydrophobicContact CG2-SD 3.82Å; T848-R888 HydrophobicContact CG2-CB 3.96Å; T848-M889 HydrophobicContact CG2-CE 4.1Å
849	R	88.7	Confident	88.5	Confident	129 Å²	129	52.1 Å²	52.1	49%	0.487	27%	0.27	S	S	.	.	H	α-helix	trans	-70	-54.7	178.7	175	175.5	178	177	-3.2	112.9	E845 L851 K852 E853	E845-R849 VanDerWaalsContact O-CB 3.29Å; E845-R849 WeakPolarHBondContact O-CB 3.19Å; E845-R849 PolarHBondContact O-N 2.59Å; R849-L851 PolarHBondContact O-N 2.93Å; R849-K852 WeakPolarHBondContact O-CB 3.45Å; R849-K852 PolarHBondContact O-N 2.91Å; R849-E853 WeakPolarHBondContact CG-OE1 3.09Å; R849-E853 IonicContact CZ-OE1 3.92Å; R849-E853 IonicContact NE-OE1 2.62Å; R849-E853 PolarHBondContact NE-OE1 2.93Å; R849-E853 IonicContact NH2-OE1 2.95Å; R849-E853 PolarHBondContact O-N 3.45Å; R849-E853 VanDerWaalsContact O-N 3.13Å
850	P	89.1	Confident	88.5	Confident	22 Å²	22	48.7 Å²	48.7	14%	0.143	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-38.8	174.7	-24.1	34.6	0	0	0	112.2	L846 K852 E853 G854 D855 A859	L846-P850 WeakPolarHBondContact O-CD 3.32Å; L846-P850 WeakPolarHBondContact O-CG 3.2Å; P850-K852 VanDerWaalsContact C-N 3.27Å; P850-K852 PolarHBondContact O-N 3.49Å; P850-E853 CarbonylContact O-C 3.56Å; P850-E853 PolarHBondContact O-N 3.26Å; P850-E853 VanDerWaalsContact O-N 3.11Å; P850-G854 PolarHBondContact O-N 2.97Å; P850-D855 CarbonylContact C-O 3.36Å; P850-D855 HydrophobicContact CB-CB 4.22Å; P850-D855 WeakPolarHBondContact CB-O 3.31Å; P850-D855 PolarHBondContact O-N 3.37Å; P850-A859 HydrophobicContact CB-CB 4.39Å
851	L	88	Confident	88.5	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-68.4	-19.3	178.2	-62.2	175.1	0	0	0	114.4	I847 R849 A859 M889 V892 V896 L900	I847-L851 HydrophobicContact CG2-CD1 3.94Å; I847-L851 VanDerWaalsContact O-CD1 3.26Å; I847-L851 WeakPolarHBondContact O-CD1 3.42Å; I847-L851 VanDerWaalsContact O-CG 3.23Å; I847-L851 WeakPolarHBondContact O-CG 3.3Å; R849-L851 PolarHBondContact O-N 2.93Å; L851-A859 HydrophobicContact CD2-CB 3.84Å; L851-A859 HydrophobicContact CG-CB 4.1Å; L851-M889 HydrophobicContact CD1-CE 4.28Å; L851-V892 HydrophobicContact CB-CG1 4.05Å; L851-V892 HydrophobicContact CB-CG2 3.95Å; L851-V892 WeakPolarHBondContact O-CG1 3.33Å; L851-V896 HydrophobicContact CB-CG1 4.36Å; L851-V896 HydrophobicContact CD2-CG1 3.91Å; L851-L900 HydrophobicContact CD1-CD2 3.81Å; L851-L900 HydrophobicContact CD2-CB 4.4Å; L851-L900 HydrophobicContact CD2-CD1 4.35Å; L851-L900 HydrophobicContact CD2-CD2 4Å; L851-L900 HydrophobicContact CD2-CG 4.49Å
852	K	87.4	Confident	88.5	Confident	128 Å²	128	54.2 Å²	54.2	56%	0.557	28%	0.279	S	S	*	.	H	α-helix	trans	-79.8	-42.4	167.3	-77.1	172	173.9	-177.6	0	111.5	T848 R849 P850 G854 S891 V892	T848-K852 WeakPolarHBondContact O-CG 3.46Å; T848-K852 PolarHBondContact O-N 3.38Å; T848-K852 VanDerWaalsContact O-N 3.15Å; R849-K852 WeakPolarHBondContact O-CB 3.45Å; R849-K852 PolarHBondContact O-N 2.91Å; P850-K852 VanDerWaalsContact C-N 3.27Å; P850-K852 PolarHBondContact O-N 3.49Å; K852-G854 PolarHBondContact O-N 3.05Å; K852-S891 WeakPolarHBondContact CE-OG 3.37Å; K852-V892 HydrophobicContact CG-CG2 4.14Å
853	E	86.6	Confident	88.4	Confident	133 Å²	133	51.3 Å²	51.3	62%	0.621	26%	0.26	S	S	*	.	H	α-helix	trans	-70.4	-18.1	179.7	-65.5	167.7	-164.1	0	0	111.7	R849 P850	R849-E853 WeakPolarHBondContact CG-OE1 3.09Å; R849-E853 IonicContact CZ-OE1 3.92Å; R849-E853 IonicContact NE-OE1 2.62Å; R849-E853 PolarHBondContact NE-OE1 2.93Å; R849-E853 IonicContact NH2-OE1 2.95Å; R849-E853 PolarHBondContact O-N 3.45Å; R849-E853 VanDerWaalsContact O-N 3.13Å; P850-E853 CarbonylContact O-C 3.56Å; P850-E853 PolarHBondContact O-N 3.26Å; P850-E853 VanDerWaalsContact O-N 3.11Å
854	G	83.5	Confident	88.3	Confident	39 Å²	39	54.1 Å²	54.1	40%	0.402	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.3	-4.5	176.6	0	0	0	0	0	114	P850 K852 I856	P850-G854 PolarHBondContact O-N 2.97Å; K852-G854 PolarHBondContact O-N 3.05Å; G854-I856 PolarHBondContact O-N 3.35Å
855	D	88.4	Confident	88.1	Confident	64 Å²	64	57.6 Å²	57.6	34%	0.342	30%	0.298	S	S	.	.			trans	-75.4	110.4	175.5	-173.9	-7.4	0	0	0	110.5	P850 D857 S858	P850-D855 CarbonylContact C-O 3.36Å; P850-D855 HydrophobicContact CB-CB 4.22Å; P850-D855 WeakPolarHBondContact CB-O 3.31Å; P850-D855 PolarHBondContact O-N 3.37Å; D855-D857 PolarHBondContact OD1-N 3.29Å; D855-S858 PolarHBondContact OD1-N 2.9Å; D855-S858 WeakPolarHBondContact OD2-CB 3.43Å; D855-S858 PolarHBondContact OD2-OG 3.35Å
856	I	88	Confident	88	Confident	34 Å²	34	57.2 Å²	57.2	17%	0.174	29%	0.294	C	S	.	.	S	Bend	trans	-92.4	-27.3	178.6	-68.9	150.3	0	0	0	110.7	G854 I860 V896 A899 L900 T903	G854-I856 PolarHBondContact O-N 3.35Å; I856-I860 HydrophobicContact CG2-CD1 3.9Å; I856-I860 HydrophobicContact CG2-CG1 4.49Å; I856-I860 WeakPolarHBondContact O-CD1 3.29Å; I856-I860 VanDerWaalsContact O-CG1 3.23Å; I856-I860 WeakPolarHBondContact O-CG1 3.49Å; I856-I860 PolarHBondContact O-N 3.12Å; I856-V896 HydrophobicContact CD1-CG1 4.3Å; I856-V896 HydrophobicContact CG1-CG1 3.9Å; I856-A899 HydrophobicContact CD1-CB 3.53Å; I856-A899 HydrophobicContact CG1-CB 4.46Å; I856-L900 HydrophobicContact CG2-CB 4.49Å; I856-L900 HydrophobicContact CG2-CD1 4.42Å; I856-T903 HydrophobicContact CG2-CG2 4.23Å; I856-T903 WeakPolarHBondContact CG2-OG1 3.35Å
857	D	88.4	Confident	87.7	Confident	100 Å²	100	55 Å²	55	54%	0.535	28%	0.281	S	S	.	.	H	α-helix	trans	-83	-38.6	-170.3	-66.9	-38.5	0	0	0	111.1	D855 A859 I860 Q861	D855-D857 PolarHBondContact OD1-N 3.29Å; D857-A859 VanDerWaalsContact C-N 3.28Å; D857-A859 PolarHBondContact O-N 3.26Å; D857-I860 PolarHBondContact O-N 3.32Å; D857-Q861 WeakPolarHBondContact O-CG 3.38Å; D857-Q861 PolarHBondContact O-N 2.89Å
858	S	89.4	Confident	87.6	Confident	51 Å²	51	55 Å²	55	36%	0.357	28%	0.281	S	S	.	.	H	α-helix	trans	-61.9	-37.2	168.2	-64.7	0	0	0	0	112	D855 Q861 F862	D855-S858 PolarHBondContact OD1-N 2.9Å; D855-S858 WeakPolarHBondContact OD2-CB 3.43Å; D855-S858 PolarHBondContact OD2-OG 3.35Å; S858-Q861 PolarHBondContact O-N 3.44Å; S858-F862 PolarHBondContact O-N 3.29Å
859	A	88.9	Confident	87.5	Confident	2 Å²	2	55.7 Å²	55.7	2%	0.017	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-41.3	174.6	0	0	0	0	0	111.7	P850 L851 D857 F862 L863 L900	P850-A859 HydrophobicContact CB-CB 4.39Å; L851-A859 HydrophobicContact CD2-CB 3.84Å; L851-A859 HydrophobicContact CG-CB 4.1Å; D857-A859 VanDerWaalsContact C-N 3.28Å; D857-A859 PolarHBondContact O-N 3.26Å; A859-F862 PolarHBondContact O-N 2.87Å; A859-L863 VanDerWaalsContact O-CG 3.31Å; A859-L863 WeakPolarHBondContact O-CG 3.35Å; A859-L863 PolarHBondContact O-N 3.48Å; A859-L900 HydrophobicContact CB-CD1 4.39Å
860	I	87.7	Confident	87.4	Confident	16 Å²	16	54.1 Å²	54.1	8%	0.082	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-43.3	174.9	-65.6	158	0	0	0	111.5	I856 D857 F862 L863 I864 L900 T903	I856-I860 HydrophobicContact CG2-CD1 3.9Å; I856-I860 HydrophobicContact CG2-CG1 4.49Å; I856-I860 WeakPolarHBondContact O-CD1 3.29Å; I856-I860 VanDerWaalsContact O-CG1 3.23Å; I856-I860 WeakPolarHBondContact O-CG1 3.49Å; I856-I860 PolarHBondContact O-N 3.12Å; D857-I860 PolarHBondContact O-N 3.32Å; I860-F862 PolarHBondContact O-N 3.12Å; I860-L863 PolarHBondContact O-N 3.07Å; I860-L863 VanDerWaalsContact O-N 3.1Å; I860-I864 HydrophobicContact CG2-CD1 3.61Å; I860-I864 HydrophobicContact CG2-CG1 4.12Å; I860-I864 WeakPolarHBondContact O-CG1 3.31Å; I860-I864 PolarHBondContact O-N 3.05Å; I860-L900 HydrophobicContact CG1-CD1 3.97Å; I860-T903 VanDerWaalsContact CD1-CB 3.42Å; I860-T903 HydrophobicContact CD1-CG2 4.39Å; I860-T903 VanDerWaalsContact CD1-OG1 3.26Å; I860-T903 WeakPolarHBondContact CD1-OG1 3.44Å
861	Q	87.7	Confident	87.2	Confident	134 Å²	134	59.9 Å²	59.9	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-58.3	-40.9	177.8	-72.5	176.2	24.9	0	0	111.1	D857 S858 I864 S865	D857-Q861 WeakPolarHBondContact O-CG 3.38Å; D857-Q861 PolarHBondContact O-N 2.89Å; S858-Q861 PolarHBondContact O-N 3.44Å; Q861-I864 PolarHBondContact O-N 3.44Å; Q861-S865 WeakPolarHBondContact O-CB 3.32Å; Q861-S865 PolarHBondContact O-N 3.45Å; Q861-S865 PolarHBondContact O-OG 3.48Å; Q861-S865 VanDerWaalsContact O-OG 3.13Å
862	F	89.2	Confident	87.3	Confident	28 Å²	28	60 Å²	60	12%	0.123	31%	0.305	C	S	.	.	H	α-helix	trans	-63.5	-44.8	172.3	-176.9	-87	0	0	0	112.8	I843 L846 I847 S858 A859 I860 I864 S865 Y866 I868	I843-F862 HydrophobicContact CG1-CZ 4.38Å; I843-F862 HydrophobicContact CG2-CE1 4.06Å; I843-F862 HydrophobicContact CG2-CZ 4.21Å; L846-F862 HydrophobicContact CB-CD2 4.29Å; L846-F862 HydrophobicContact CB-CE2 3.79Å; L846-F862 HydrophobicContact CB-CZ 3.93Å; L846-F862 HydrophobicContact CD1-CE2 3.71Å; L846-F862 HydrophobicContact CD1-CZ 4.12Å; L846-F862 HydrophobicContact CG-CE2 4.36Å; I847-F862 HydrophobicContact CD1-CD1 4.46Å; I847-F862 HydrophobicContact CD1-CE1 4.07Å; I847-F862 HydrophobicContact CG1-CD1 3.75Å; I847-F862 HydrophobicContact CG1-CE1 3.65Å; S858-F862 PolarHBondContact O-N 3.29Å; A859-F862 PolarHBondContact O-N 2.87Å; I860-F862 PolarHBondContact O-N 3.12Å; F862-I864 VanDerWaalsContact C-N 3.32Å; F862-I864 PolarHBondContact O-N 2.9Å; F862-S865 PolarHBondContact O-N 3.18Å; F862-S865 PolarHBondContact O-OG 3.19Å; F862-Y866 HydrophobicContact CD1-CD2 4.31Å; F862-Y866 AromaticContact CD2-CD2 3.71Å; F862-Y866 HydrophobicContact CD2-CD2 3.71Å; F862-Y866 AromaticContact CD2-CE2 3.67Å; F862-Y866 HydrophobicContact CD2-CE2 3.67Å; F862-Y866 HydrophobicContact CE1-CD2 4.1Å; F862-Y866 AromaticContact CE2-CD2 3.46Å; F862-Y866 HydrophobicContact CE2-CD2 3.46Å; F862-Y866 VanDerWaalsContact CE2-CD2 3.46Å; F862-Y866 AromaticContact CE2-CE2 3.27Å; F862-Y866 HydrophobicContact CE2-CE2 3.27Å; F862-Y866 HydrophobicContact CE2-CG 4.4Å; F862-Y866 HydrophobicContact CG-CD2 4.12Å; F862-Y866 AromaticContact CZ-CD2 3.67Å; F862-Y866 HydrophobicContact CZ-CD2 3.67Å; F862-Y866 AromaticContact CZ-CE2 3.85Å; F862-Y866 HydrophobicContact CZ-CE2 3.85Å; F862-Y866 HydrophobicContact CZ-CG 4.2Å; F862-Y866 WeakPolarHBondContact O-CD2 3.48Å; F862-Y866 PolarHBondContact O-N 3.04Å; F862-I868 HydrophobicContact CD1-CD1 4.42Å; F862-I868 HydrophobicContact CE1-CD1 3.83Å
863	L	89	Confident	87.4	Confident	5 Å²	5	54.1 Å²	54.1	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-37.5	176.9	-66.5	176.1	0	0	0	112.4	I847 A859 I860 Q867 I868 V873 L900 Y904	I847-L863 HydrophobicContact CD1-CD2 4.13Å; I847-L863 HydrophobicContact CG1-CD2 4.37Å; A859-L863 VanDerWaalsContact O-CG 3.31Å; A859-L863 WeakPolarHBondContact O-CG 3.35Å; A859-L863 PolarHBondContact O-N 3.48Å; I860-L863 PolarHBondContact O-N 3.07Å; I860-L863 VanDerWaalsContact O-N 3.1Å; L863-Q867 CarbonylContact O-C 3.5Å; L863-Q867 WeakPolarHBondContact O-CA 3.45Å; L863-Q867 PolarHBondContact O-N 3.38Å; L863-I868 HydrophobicContact CD2-CB 3.72Å; L863-I868 HydrophobicContact CD2-CD1 4.36Å; L863-I868 HydrophobicContact CD2-CG2 3.57Å; L863-I868 PolarHBondContact O-N 3.01Å; L863-V873 HydrophobicContact CD1-CG2 4.17Å; L863-V873 HydrophobicContact CD2-CG2 3.36Å; L863-V873 HydrophobicContact CG-CG2 4.43Å; L863-L900 HydrophobicContact CD1-CD1 4.22Å; L863-Y904 HydrophobicContact CD1-CD2 4.21Å
864	I	86	Confident	87.5	Confident	69 Å²	69	51.2 Å²	51.2	35%	0.354	27%	0.268	S	S	.	.	H	α-helix	trans	-71.8	-44.8	177.4	-67.5	175.3	0	0	0	110.9	I860 Q861 F862 Y866 Q867 H909	I860-I864 HydrophobicContact CG2-CD1 3.61Å; I860-I864 HydrophobicContact CG2-CG1 4.12Å; I860-I864 WeakPolarHBondContact O-CG1 3.31Å; I860-I864 PolarHBondContact O-N 3.05Å; Q861-I864 PolarHBondContact O-N 3.44Å; F862-I864 VanDerWaalsContact C-N 3.32Å; F862-I864 PolarHBondContact O-N 2.9Å; I864-Y866 PolarHBondContact O-N 3.43Å; I864-Q867 PolarHBondContact O-N 2.85Å; I864-H909 HydrophobicContact CD1-CB 4.38Å; I864-H909 HydrophobicContact CG1-CB 4.21Å; I864-H909 HydrophobicContact CG2-CB 4.38Å
865	S	87.1	Confident	87.8	Confident	73 Å²	73	50.7 Å²	50.7	51%	0.51	26%	0.259	S	S	.	.	H	α-helix	trans	-67.9	-35.3	-177.6	65.5	0	0	0	0	113.2	Q861 F862	Q861-S865 WeakPolarHBondContact O-CB 3.32Å; Q861-S865 PolarHBondContact O-N 3.45Å; Q861-S865 PolarHBondContact O-OG 3.48Å; Q861-S865 VanDerWaalsContact O-OG 3.13Å; F862-S865 PolarHBondContact O-N 3.18Å; F862-S865 PolarHBondContact O-OG 3.19Å
866	Y	86.3	Confident	87.9	Confident	76 Å²	76	47.9 Å²	47.9	30%	0.298	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	3.5	173.8	-73.8	-88.2	0	0	0	113.9	L821 A824 T825 F862 I864 I868	L821-Y866 HydrophobicContact CD2-CD1 4.09Å; L821-Y866 HydrophobicContact CD2-CG 4.47Å; L821-Y866 WeakPolarHBondContact CD2-O 3.43Å; A824-Y866 HydrophobicContact CB-CD1 3.67Å; A824-Y866 HydrophobicContact CB-CE1 4.29Å; A824-Y866 HydrophobicContact CB-CG 4.31Å; T825-Y866 HydrophobicContact CG2-CD1 4.21Å; T825-Y866 HydrophobicContact CG2-CE1 4.12Å; F862-Y866 HydrophobicContact CD1-CD2 4.31Å; F862-Y866 AromaticContact CD2-CD2 3.71Å; F862-Y866 HydrophobicContact CD2-CD2 3.71Å; F862-Y866 AromaticContact CD2-CE2 3.67Å; F862-Y866 HydrophobicContact CD2-CE2 3.67Å; F862-Y866 HydrophobicContact CE1-CD2 4.1Å; F862-Y866 AromaticContact CE2-CD2 3.46Å; F862-Y866 HydrophobicContact CE2-CD2 3.46Å; F862-Y866 VanDerWaalsContact CE2-CD2 3.46Å; F862-Y866 AromaticContact CE2-CE2 3.27Å; F862-Y866 HydrophobicContact CE2-CE2 3.27Å; F862-Y866 HydrophobicContact CE2-CG 4.4Å; F862-Y866 HydrophobicContact CG-CD2 4.12Å; F862-Y866 AromaticContact CZ-CD2 3.67Å; F862-Y866 HydrophobicContact CZ-CD2 3.67Å; F862-Y866 AromaticContact CZ-CE2 3.85Å; F862-Y866 HydrophobicContact CZ-CE2 3.85Å; F862-Y866 HydrophobicContact CZ-CG 4.2Å; F862-Y866 WeakPolarHBondContact O-CD2 3.48Å; F862-Y866 PolarHBondContact O-N 3.04Å; I864-Y866 PolarHBondContact O-N 3.43Å; Y866-I868 VanDerWaalsContact C-N 3.27Å; Y866-I868 PolarHBondContact O-N 2.9Å
867	Q	84	Confident	87.9	Confident	45 Å²	45	46.4 Å²	46.4	21%	0.21	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	39.1	177.2	-58.7	169.1	-17.7	0	0	113.2	L863 I864 L911 Y913	L863-Q867 CarbonylContact O-C 3.5Å; L863-Q867 WeakPolarHBondContact O-CA 3.45Å; L863-Q867 PolarHBondContact O-N 3.38Å; I864-Q867 PolarHBondContact O-N 2.85Å; Q867-L911 HydrophobicContact CB-CD2 4.11Å; Q867-Y913 PolarHBondContact O-OH 3.1Å
868	I	87.1	Confident	88	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	23%	0.229	C	C	.	.			trans	-92.3	124.8	-176.3	-58.9	177.3	0	0	0	109.5	L821 I843 I847 F862 L863 Y866 D872 V873 I876	L821-I868 HydrophobicContact CD2-CD1 4.09Å; L821-I868 HydrophobicContact CD2-CG1 3.88Å; I843-I868 HydrophobicContact CG2-CD1 4.11Å; I847-I868 HydrophobicContact CD1-CD1 4.41Å; F862-I868 HydrophobicContact CD1-CD1 4.42Å; F862-I868 HydrophobicContact CE1-CD1 3.83Å; L863-I868 HydrophobicContact CD2-CB 3.72Å; L863-I868 HydrophobicContact CD2-CD1 4.36Å; L863-I868 HydrophobicContact CD2-CG2 3.57Å; L863-I868 PolarHBondContact O-N 3.01Å; Y866-I868 VanDerWaalsContact C-N 3.27Å; Y866-I868 PolarHBondContact O-N 2.9Å; I868-D872 HydrophobicContact CG2-CB 3.54Å; I868-V873 HydrophobicContact CG2-CG2 3.89Å; I868-I876 HydrophobicContact CD1-CD1 4.42Å; I868-I876 HydrophobicContact CG2-CD1 4.17Å
869	T	86.9	Confident	87.9	Confident	16 Å²	16	43.9 Å²	43.9	10%	0.098	22%	0.216	C	C	.	.			trans	-75.9	165.2	171.8	74.1	0	0	0	0	113.3	E871 D872 V873 Y904 L911 Y913 I915	T869-E871 PolarHBondContact O-N 2.72Å; T869-E871 PolarHBondContact OG1-N 3.36Å; T869-E871 VanDerWaalsContact OG1-N 3.16Å; T869-D872 WeakPolarHBondContact CA-OD2 3.43Å; T869-D872 WeakPolarHBondContact CB-OD2 3.26Å; T869-D872 WeakPolarHBondContact CG2-OD2 3.36Å; T869-D872 PolarHBondContact N-OD2 2.92Å; T869-D872 WeakPolarHBondContact O-CB 3.23Å; T869-D872 PolarHBondContact O-N 3.35Å; T869-D872 VanDerWaalsContact OG1-CG 3.28Å; T869-D872 PolarHBondContact OG1-N 3.02Å; T869-D872 PolarHBondContact OG1-OD2 3.45Å; T869-V873 WeakPolarHBondContact O-CG2 3.35Å; T869-V873 PolarHBondContact O-N 3.44Å; T869-V873 VanDerWaalsContact O-N 3.09Å; T869-Y904 WeakPolarHBondContact CA-OH 3.45Å; T869-L911 HydrophobicContact CG2-CD1 4.1Å; T869-Y913 HydrophobicContact CG2-CE2 3.88Å; T869-Y913 WeakPolarHBondContact CG2-OH 3.32Å; T869-I915 HydrophobicContact CG2-CD1 4.2Å; T869-I915 HydrophobicContact CG2-CG1 4.38Å
870	R	86.2	Confident	87.8	Confident	97 Å²	97	44.4 Å²	44.4	37%	0.366	22%	0.219	S	C	.	.	H	α-helix	trans	-61.9	-20.4	170.2	-170.3	-91.9	152.8	-136.5	-12.7	113.1	D874 Y904	R870-D874 IonicContact CZ-OD1 2.62Å; R870-D874 IonicContact CZ-OD2 3.39Å; R870-D874 IonicContact NH1-OD1 2.71Å; R870-D874 IonicContact NH1-OD2 2.68Å; R870-D874 PolarHBondContact NH1-OD2 3.05Å; R870-D874 IonicContact NH2-OD1 3.85Å; R870-D874 PolarHBondContact NH2-OD1 3.43Å; R870-D874 IonicContact NH2-OD2 3.29Å; R870-D874 PolarHBondContact NH2-OD2 2.88Å; R870-Y904 HydrophobicContact CB-CD1 4.15Å; R870-Y904 HydrophobicContact CB-CE1 4.13Å
871	E	86.1	Confident	87.7	Confident	143 Å²	143	46 Å²	46	67%	0.668	23%	0.23	S	C	*	.	H	α-helix	trans	-87.6	-32.4	176.8	-58.4	-170.3	-176	0	0	111.4	T869 V873 D874 S875	T869-E871 PolarHBondContact O-N 2.72Å; T869-E871 PolarHBondContact OG1-N 3.36Å; T869-E871 VanDerWaalsContact OG1-N 3.16Å; E871-V873 VanDerWaalsContact C-N 3.33Å; E871-V873 PolarHBondContact O-N 2.8Å; E871-D874 PolarHBondContact O-N 3.37Å; E871-S875 PolarHBondContact O-N 2.97Å; E871-S875 PolarHBondContact O-OG 3.41Å
872	D	89.2	Confident	87.5	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-39.2	168	-66.3	-62.5	0	0	0	111.9	L817 H820 I868 T869 D874 S875 I876	L817-D872 HydrophobicContact CD2-CB 3.53Å; L817-D872 VanDerWaalsContact CD2-OD1 3.23Å; L817-D872 WeakPolarHBondContact CD2-OD1 3.02Å; H820-D872 IonicContact CE1-OD1 3.18Å; H820-D872 IonicContact CE1-OD2 3.47Å; H820-D872 IonicContact CG-OD1 3.99Å; H820-D872 VanDerWaalsContact ND1-CG 3.32Å; H820-D872 IonicContact ND1-OD1 3.1Å; H820-D872 PolarHBondContact ND1-OD1 3.31Å; H820-D872 IonicContact ND1-OD2 3.32Å; H820-D872 PolarHBondContact ND1-OD2 3.35Å; H820-D872 VanDerWaalsContact ND1-OD2 3.09Å; I868-D872 HydrophobicContact CG2-CB 3.54Å; T869-D872 WeakPolarHBondContact CA-OD2 3.43Å; T869-D872 WeakPolarHBondContact CB-OD2 3.26Å; T869-D872 WeakPolarHBondContact CG2-OD2 3.36Å; T869-D872 PolarHBondContact N-OD2 2.92Å; T869-D872 WeakPolarHBondContact O-CB 3.23Å; T869-D872 PolarHBondContact O-N 3.35Å; T869-D872 VanDerWaalsContact OG1-CG 3.28Å; T869-D872 PolarHBondContact OG1-N 3.02Å; T869-D872 PolarHBondContact OG1-OD2 3.45Å; D872-D874 PolarHBondContact O-N 2.89Å; D872-S875 CarbonylContact O-C 3.24Å; D872-S875 WeakPolarHBondContact O-CB 3.3Å; D872-S875 PolarHBondContact O-N 3.06Å; D872-S875 VanDerWaalsContact O-N 3.14Å; D872-I876 WeakPolarHBondContact O-CD1 3.38Å; D872-I876 VanDerWaalsContact O-CG1 3.28Å; D872-I876 WeakPolarHBondContact O-CG1 3.43Å; D872-I876 PolarHBondContact O-N 3.01Å
873	V	89.7	Confident	87.1	Confident	6 Å²	6	51.2 Å²	51.2	4%	0.036	26%	0.259	C	S	.	.	H	α-helix	trans	-57.9	-48.4	176	175.8	0	0	0	0	111.5	I847 L863 I868 T869 E871 S875 I876 M877 M889	I847-V873 HydrophobicContact CD1-CG2 4.37Å; I847-V873 HydrophobicContact CG2-CG1 4.2Å; L863-V873 HydrophobicContact CD1-CG2 4.17Å; L863-V873 HydrophobicContact CD2-CG2 3.36Å; L863-V873 HydrophobicContact CG-CG2 4.43Å; I868-V873 HydrophobicContact CG2-CG2 3.89Å; T869-V873 WeakPolarHBondContact O-CG2 3.35Å; T869-V873 PolarHBondContact O-N 3.44Å; T869-V873 VanDerWaalsContact O-N 3.09Å; E871-V873 VanDerWaalsContact C-N 3.33Å; E871-V873 PolarHBondContact O-N 2.8Å; V873-S875 VanDerWaalsContact C-N 3.29Å; V873-S875 PolarHBondContact O-N 3.12Å; V873-I876 PolarHBondContact O-N 3.01Å; V873-M877 VanDerWaalsContact O-CG 3.25Å; V873-M877 WeakPolarHBondContact O-CG 3.21Å; V873-M877 PolarHBondContact O-N 3.21Å; V873-M877 VanDerWaalsContact O-N 3.14Å; V873-M889 HydrophobicContact CG1-CE 4.13Å
874	D	89	Confident	86.7	Confident	71 Å²	71	58.5 Å²	58.5	38%	0.38	30%	0.298	S	S	.	.	H	α-helix	trans	-63.2	-38.8	176.6	-82.2	6.2	0	0	0	111.1	R870 E871 D872 M877 E878	R870-D874 IonicContact CZ-OD1 2.62Å; R870-D874 IonicContact CZ-OD2 3.39Å; R870-D874 IonicContact NH1-OD1 2.71Å; R870-D874 IonicContact NH1-OD2 2.68Å; R870-D874 PolarHBondContact NH1-OD2 3.05Å; R870-D874 IonicContact NH2-OD1 3.85Å; R870-D874 PolarHBondContact NH2-OD1 3.43Å; R870-D874 IonicContact NH2-OD2 3.29Å; R870-D874 PolarHBondContact NH2-OD2 2.88Å; E871-D874 PolarHBondContact O-N 3.37Å; D872-D874 PolarHBondContact O-N 2.89Å; D874-M877 PolarHBondContact O-N 2.9Å; D874-E878 PolarHBondContact O-N 3.01Å
875	S	89.6	Confident	86.5	Confident	28 Å²	28	62.6 Å²	62.6	20%	0.196	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-41.8	178.3	-57.9	0	0	0	0	112.4	E871 D872 V873 M877 E878 L879	E871-S875 PolarHBondContact O-N 2.97Å; E871-S875 PolarHBondContact O-OG 3.41Å; D872-S875 CarbonylContact O-C 3.24Å; D872-S875 WeakPolarHBondContact O-CB 3.3Å; D872-S875 PolarHBondContact O-N 3.06Å; D872-S875 VanDerWaalsContact O-N 3.14Å; V873-S875 VanDerWaalsContact C-N 3.29Å; V873-S875 PolarHBondContact O-N 3.12Å; S875-M877 VanDerWaalsContact C-N 3.32Å; S875-M877 PolarHBondContact O-N 3.09Å; S875-E878 PolarHBondContact O-N 3.08Å; S875-L879 WeakPolarHBondContact O-CB 3.49Å; S875-L879 VanDerWaalsContact O-CG 3.28Å; S875-L879 WeakPolarHBondContact O-CG 3.33Å; S875-L879 PolarHBondContact O-N 2.78Å
876	I	90.1	Very high	86.2	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-64.4	-36.4	174.8	-67.8	157.1	0	0	0	111	L817 I843 I847 I868 D872 V873 T880	L817-I876 HydrophobicContact CD1-CG1 4.07Å; L817-I876 HydrophobicContact CD2-CD1 3.83Å; L817-I876 HydrophobicContact CD2-CG1 3.7Å; I843-I876 HydrophobicContact CG2-CD1 3.91Å; I843-I876 HydrophobicContact CG2-CG2 4.28Å; I847-I876 HydrophobicContact CD1-CD1 4.5Å; I868-I876 HydrophobicContact CD1-CD1 4.42Å; I868-I876 HydrophobicContact CG2-CD1 4.17Å; D872-I876 WeakPolarHBondContact O-CD1 3.38Å; D872-I876 VanDerWaalsContact O-CG1 3.28Å; D872-I876 WeakPolarHBondContact O-CG1 3.43Å; D872-I876 PolarHBondContact O-N 3.01Å; V873-I876 PolarHBondContact O-N 3.01Å; I876-T880 WeakPolarHBondContact O-CB 3.49Å; I876-T880 WeakPolarHBondContact O-CG2 3.29Å; I876-T880 PolarHBondContact O-N 3.22Å; I876-T880 PolarHBondContact O-OG1 3.49Å
877	M	89.2	Confident	86	Confident	3 Å²	3	63 Å²	63	2%	0.015	32%	0.317	C	S	.	.	H	α-helix	trans	-70.6	-37.7	175.4	-60.8	-66.4	141	0	0	111.9	I847 T848 V873 D874 S875 T880 T881 N887 R888 M889	I847-M877 HydrophobicContact CB-CE 4.36Å; I847-M877 HydrophobicContact CG2-CE 4.28Å; T848-M877 HydrophobicContact CG2-CE 3.67Å; T848-M877 HydrophobicContact CG2-SD 3.82Å; V873-M877 VanDerWaalsContact O-CG 3.25Å; V873-M877 WeakPolarHBondContact O-CG 3.21Å; V873-M877 PolarHBondContact O-N 3.21Å; V873-M877 VanDerWaalsContact O-N 3.14Å; D874-M877 PolarHBondContact O-N 2.9Å; S875-M877 VanDerWaalsContact C-N 3.32Å; S875-M877 PolarHBondContact O-N 3.09Å; M877-T880 PolarHBondContact O-N 3.38Å; M877-T880 PolarHBondContact O-OG1 3.4Å; M877-T881 PolarHBondContact O-N 3.29Å; M877-T881 PolarHBondContact O-OG1 2.98Å; M877-N887 WeakPolarHBondContact CB-OD1 3.39Å; M877-N887 PolarHBondContact O-OD1 3.28Å; M877-R888 HydrophobicContact SD-CB 4.34Å; M877-M889 HydrophobicContact CE-CE 4.31Å; M877-M889 HydrophobicContact CG-CB 4.04Å; M877-M889 HydrophobicContact CG-CE 4.25Å; M877-M889 HydrophobicContact SD-CB 4.03Å; M877-M889 HydrophobicContact SD-CE 4.3Å
878	E	89	Confident	85.9	Confident	85 Å²	85	64.5 Å²	64.5	40%	0.397	32%	0.32	S	S	.	.	H	α-helix	trans	-61.8	-48.2	171.6	-169.5	177	127.4	0	0	110.9	R809 D874 S875 T880 T881	R809-E878 IonicContact CZ-OE1 3.09Å; R809-E878 IonicContact NE-OE1 3.96Å; R809-E878 PolarHBondContact NE-OE1 3.11Å; R809-E878 IonicContact NH2-OE1 2.84Å; R809-E878 PolarHBondContact NH2-OE1 2.82Å; R809-E878 IonicContact NH2-OE2 3.59Å; D874-E878 PolarHBondContact O-N 3.01Å; S875-E878 PolarHBondContact O-N 3.08Å; E878-T880 VanDerWaalsContact C-N 3.31Å; E878-T880 PolarHBondContact O-N 3.15Å; E878-T881 PolarHBondContact O-N 3.25Å
879	L	88.1	Confident	85.8	Confident	14 Å²	14	65.6 Å²	65.6	7%	0.073	33%	0.326	C	S	.	.	H	α-helix	trans	-66	-25.3	179.7	-70.5	177.7	0	0	0	114.5	I810 T814 L817 L836 S875	I810-L879 HydrophobicContact CB-CD2 4.36Å; I810-L879 HydrophobicContact CG1-CD2 4.21Å; I810-L879 HydrophobicContact CG2-CD2 3.73Å; T814-L879 WeakPolarHBondContact OG1-CD1 3.35Å; L817-L879 HydrophobicContact CD1-CD1 3.46Å; L817-L879 VanDerWaalsContact CD1-CD1 3.46Å; L836-L879 HydrophobicContact CD1-CB 3.91Å; L836-L879 HydrophobicContact CD1-CD2 4.28Å; S875-L879 WeakPolarHBondContact O-CB 3.49Å; S875-L879 VanDerWaalsContact O-CG 3.28Å; S875-L879 WeakPolarHBondContact O-CG 3.33Å; S875-L879 PolarHBondContact O-N 2.78Å
880	T	87	Confident	85.6	Confident	13 Å²	13	71 Å²	71	8%	0.08	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	4.6	178.3	50.7	0	0	0	0	114.1	A840 I876 M877 E878	A840-T880 HydrophobicContact CB-CG2 3.88Å; A840-T880 WeakPolarHBondContact O-CG2 3.47Å; I876-T880 WeakPolarHBondContact O-CB 3.49Å; I876-T880 WeakPolarHBondContact O-CG2 3.29Å; I876-T880 PolarHBondContact O-N 3.22Å; I876-T880 PolarHBondContact O-OG1 3.49Å; M877-T880 PolarHBondContact O-N 3.38Å; M877-T880 PolarHBondContact O-OG1 3.4Å; E878-T880 VanDerWaalsContact C-N 3.31Å; E878-T880 PolarHBondContact O-N 3.15Å
881	T	86.3	Confident	85.5	Confident	50 Å²	50	69.9 Å²	69.9	31%	0.307	36%	0.36	S	S	.	.			trans	-88	125.9	176.7	-63.8	0	0	0	0	111.3	M877 E878 N887	M877-T881 PolarHBondContact O-N 3.29Å; M877-T881 PolarHBondContact O-OG1 2.98Å; E878-T881 PolarHBondContact O-N 3.25Å; T881-N887 PolarHBondContact OG1-ND2 2.71Å; T881-N887 PolarHBondContact OG1-OD1 2.86Å
882	W	82.4	Confident	85.6	Confident	143 Å²	143	63.4 Å²	63.4	54%	0.542	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-131.1	162	178.5	-62.8	84.1	0	0	0	110.3	N884 R885	W882-N884 PolarHBondContact O-N 3.38Å; W882-R885 HydrophobicContact CB-CB 4.21Å; W882-R885 PolarHBondContact N-O 3.13Å; W882-R885 CarbonylContact O-C 3.43Å; W882-R885 VanDerWaalsContact O-C 3.32Å; W882-R885 PolarHBondContact O-N 3.24Å
883	P	80.7	Confident	85.5	Confident	128 Å²	128	66.3 Å²	66.3	83%	0.831	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.6	-179.8	-29.3	36.5	0	0	0	114.4
884	N	81.9	Confident	85.5	Confident	158 Å²	158	70 Å²	70	85%	0.845	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	5.9	178.7	-61.1	0	0	0	0	113.4	W882	W882-N884 PolarHBondContact O-N 3.38Å
885	R	81	Confident	85.6	Confident	154 Å²	154	73.7 Å²	73.7	58%	0.581	39%	0.385	S	S	*	.	B	Isolated β-bridge	trans	-139.6	95.4	-179.2	-67.8	-176.1	172.9	179	-2.8	110.2	W882	W882-R885 HydrophobicContact CB-CB 4.21Å; W882-R885 PolarHBondContact N-O 3.13Å; W882-R885 CarbonylContact O-C 3.43Å; W882-R885 VanDerWaalsContact O-C 3.32Å; W882-R885 PolarHBondContact O-N 3.24Å
886	P	80.7	Confident	85.6	Confident	101 Å²	101	73.6 Å²	73.6	66%	0.656	38%	0.383	S	S	*	.			trans	-67.8	158.3	179.6	29.5	-35.5	0	0	0	111.8	R888	P886-R888 PolarHBondContact O-N 3.39Å
887	N	83	Confident	85.6	Confident	58 Å²	58	76.3 Å²	76.3	31%	0.31	40%	0.395	S	S	.	.			trans	-44	108.7	175.4	-104.8	-76.5	0	0	0	112	M877 T881 M889 L890	M877-N887 WeakPolarHBondContact CB-OD1 3.39Å; M877-N887 PolarHBondContact O-OD1 3.28Å; T881-N887 PolarHBondContact OG1-ND2 2.71Å; T881-N887 PolarHBondContact OG1-OD1 2.86Å; N887-M889 PolarHBondContact O-N 3.33Å; N887-M889 VanDerWaalsContact O-N 3.08Å; N887-L890 HydrophobicContact CB-CD1 3.89Å; N887-L890 HydrophobicContact CB-CG 3.84Å; N887-L890 VanDerWaalsContact O-CB 3.3Å; N887-L890 WeakPolarHBondContact O-CB 3.29Å; N887-L890 WeakPolarHBondContact O-CG 3.28Å; N887-L890 PolarHBondContact O-N 3.45Å
888	R	81.8	Confident	85.6	Confident	75 Å²	75	78.1 Å²	78.1	28%	0.283	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-52.3	-36.7	179.8	-71.5	177	175	-110.6	10.7	112.2	S844 E845 T848 M877 P886 L890 S891	S844-R888 WeakPolarHBondContact OG-CD 3.47Å; S844-R888 PolarHBondContact OG-NE 3.46Å; E845-R888 IonicContact OE2-CZ 2.61Å; E845-R888 IonicContact OE2-NH1 3.19Å; E845-R888 PolarHBondContact OE2-NH1 3.04Å; E845-R888 IonicContact OE2-NH2 2.65Å; E845-R888 PolarHBondContact OE2-NH2 2.7Å; T848-R888 HydrophobicContact CG2-CB 3.96Å; M877-R888 HydrophobicContact SD-CB 4.34Å; P886-R888 PolarHBondContact O-N 3.39Å; R888-L890 PolarHBondContact O-N 2.76Å; R888-L890 VanDerWaalsContact O-N 3.13Å; R888-S891 PolarHBondContact O-N 3.04Å; R888-S891 PolarHBondContact O-OG 2.82Å
889	M	83	Confident	85.6	Confident	26 Å²	26	75.4 Å²	75.4	13%	0.128	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-57.3	-22.6	177.3	-170.3	54.5	68.5	0	0	113.8	T848 L851 V873 M877 N887 S891 V892 K897	T848-M889 HydrophobicContact CG2-CE 4.1Å; L851-M889 HydrophobicContact CD1-CE 4.28Å; V873-M889 HydrophobicContact CG1-CE 4.13Å; M877-M889 HydrophobicContact CE-CE 4.31Å; M877-M889 HydrophobicContact CG-CB 4.04Å; M877-M889 HydrophobicContact CG-CE 4.25Å; M877-M889 HydrophobicContact SD-CB 4.03Å; M877-M889 HydrophobicContact SD-CE 4.3Å; N887-M889 PolarHBondContact O-N 3.33Å; N887-M889 VanDerWaalsContact O-N 3.08Å; M889-S891 VanDerWaalsContact C-N 3.26Å; M889-S891 PolarHBondContact O-N 3.31Å; M889-V892 PolarHBondContact O-N 2.98Å; M889-V892 HydrophobicContact SD-CB 4.4Å; M889-K897 WeakPolarHBondContact O-CE 3.3Å; M889-K897 PolarHBondContact O-NZ 3.1Å; M889-K897 HydrophobicContact SD-CD 4.4Å; M889-K897 VanDerWaalsContact SD-CE 3.53Å; M889-K897 HydrophobicContact SD-CG 4.11Å
890	L	84.5	Confident	85.6	Confident	129 Å²	129	75.4 Å²	75.4	68%	0.675	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-60.6	-33.8	177.2	-70.5	170.4	0	0	0	112.8	N887 R888 V892	N887-L890 HydrophobicContact CB-CD1 3.89Å; N887-L890 HydrophobicContact CB-CG 3.84Å; N887-L890 VanDerWaalsContact O-CB 3.3Å; N887-L890 WeakPolarHBondContact O-CB 3.29Å; N887-L890 WeakPolarHBondContact O-CG 3.28Å; N887-L890 PolarHBondContact O-N 3.45Å; R888-L890 PolarHBondContact O-N 2.76Å; R888-L890 VanDerWaalsContact O-N 3.13Å; L890-V892 VanDerWaalsContact C-N 3.27Å; L890-V892 PolarHBondContact O-N 3.02Å
891	S	83.2	Confident	85.7	Confident	74 Å²	74	77 Å²	77	52%	0.517	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-72.9	-9.5	-177.9	64.1	0	0	0	0	115.8	K852 R888 M889	K852-S891 WeakPolarHBondContact CE-OG 3.37Å; R888-S891 PolarHBondContact O-N 3.04Å; R888-S891 PolarHBondContact O-OG 2.82Å; M889-S891 VanDerWaalsContact C-N 3.26Å; M889-S891 PolarHBondContact O-N 3.31Å
892	V	87.3	Confident	85.7	Confident	6 Å²	6	83 Å²	83	4%	0.036	43%	0.429	C	S	.	.	S	Bend	trans	-93	137.2	-178.4	172.4	0	0	0	0	110.6	L851 K852 M889 L890 S894 V896 K897	L851-V892 HydrophobicContact CB-CG1 4.05Å; L851-V892 HydrophobicContact CB-CG2 3.95Å; L851-V892 WeakPolarHBondContact O-CG1 3.33Å; K852-V892 HydrophobicContact CG-CG2 4.14Å; M889-V892 PolarHBondContact O-N 2.98Å; M889-V892 HydrophobicContact SD-CB 4.4Å; L890-V892 VanDerWaalsContact C-N 3.27Å; L890-V892 PolarHBondContact O-N 3.02Å; V892-S894 PolarHBondContact O-N 2.85Å; V892-V896 HydrophobicContact CG1-CB 3.92Å; V892-V896 HydrophobicContact CG1-CG1 4.12Å; V892-K897 HydrophobicContact CG1-CG 4.03Å; V892-K897 WeakPolarHBondContact O-CE 3.38Å; V892-K897 PolarHBondContact O-NZ 3.36Å
893	D	88.5	Confident	86	Confident	65 Å²	65	78 Å²	78	35%	0.348	41%	0.414	S	S	.	.			trans	-61.6	138.2	178.6	-179.6	12.5	0	0	0	112.2	K895 V896 K897	D893-K895 PolarHBondContact O-N 3.29Å; D893-K895 VanDerWaalsContact O-N 3.09Å; D893-K895 PolarHBondContact OD1-N 3.47Å; D893-K895 VanDerWaalsContact OD1-N 3.13Å; D893-K895 IonicContact OD1-NZ 2.67Å; D893-K895 WeakPolarHBondContact OD2-CB 3.36Å; D893-K895 VanDerWaalsContact OD2-CG 3.27Å; D893-K895 WeakPolarHBondContact OD2-CG 3.47Å; D893-K895 IonicContact OD2-NZ 2.69Å; D893-K895 PolarHBondContact OD2-NZ 3.2Å; D893-V896 HydrophobicContact CB-CG2 4.34Å; D893-V896 PolarHBondContact O-N 3.37Å; D893-K897 PolarHBondContact O-N 3.06Å; D893-K897 VanDerWaalsContact O-N 3.13Å
894	S	89.4	Confident	86.3	Confident	84 Å²	84	72.5 Å²	72.5	59%	0.587	38%	0.377	S	S	*	.	H	α-helix	trans	-38.6	-40.2	164.2	65.2	0	0	0	0	114.4	V892 A898	V892-S894 PolarHBondContact O-N 2.85Å; S894-A898 VanDerWaalsContact O-CB 3.32Å; S894-A898 WeakPolarHBondContact O-CB 3.39Å; S894-A898 PolarHBondContact O-N 2.89Å
895	K	90.2	Very high	86.5	Confident	149 Å²	149	69.8 Å²	69.8	65%	0.648	36%	0.362	S	S	*	.	H	α-helix	trans	-66.7	-42.2	179.1	-57.4	-173.7	-146.2	79.3	0	112.2	D893 A898 A899	D893-K895 PolarHBondContact O-N 3.29Å; D893-K895 VanDerWaalsContact O-N 3.09Å; D893-K895 PolarHBondContact OD1-N 3.47Å; D893-K895 VanDerWaalsContact OD1-N 3.13Å; D893-K895 IonicContact OD1-NZ 2.67Å; D893-K895 WeakPolarHBondContact OD2-CB 3.36Å; D893-K895 VanDerWaalsContact OD2-CG 3.27Å; D893-K895 WeakPolarHBondContact OD2-CG 3.47Å; D893-K895 IonicContact OD2-NZ 2.69Å; D893-K895 PolarHBondContact OD2-NZ 3.2Å; K895-A898 PolarHBondContact O-N 3.24Å; K895-A899 WeakPolarHBondContact O-CB 3.37Å; K895-A899 PolarHBondContact O-N 3.48Å
896	V	91.1	Very high	86.7	Confident	26 Å²	26	69.6 Å²	69.6	16%	0.158	37%	0.366	C	S	.	.	H	α-helix	trans	-69.3	-43.5	-179.4	-177.2	0	0	0	0	110.1	L851 I856 V892 D893 A898 A899 L900	L851-V896 HydrophobicContact CB-CG1 4.36Å; L851-V896 HydrophobicContact CD2-CG1 3.91Å; I856-V896 HydrophobicContact CD1-CG1 4.3Å; I856-V896 HydrophobicContact CG1-CG1 3.9Å; V892-V896 HydrophobicContact CG1-CB 3.92Å; V892-V896 HydrophobicContact CG1-CG1 4.12Å; D893-V896 HydrophobicContact CB-CG2 4.34Å; D893-V896 PolarHBondContact O-N 3.37Å; V896-A898 VanDerWaalsContact C-N 3.33Å; V896-A898 PolarHBondContact O-N 2.89Å; V896-A899 WeakPolarHBondContact O-CB 3.24Å; V896-A899 PolarHBondContact O-N 2.89Å; V896-L900 WeakPolarHBondContact O-CB 3.38Å; V896-L900 PolarHBondContact O-N 3.14Å
897	K	88.5	Confident	86.5	Confident	62 Å²	62	66.2 Å²	66.2	27%	0.27	34%	0.344	S	S	.	.	H	α-helix	trans	-55.9	-45.6	171.9	-69.1	160.5	175.7	161.3	0	112.4	M889 V892 D893 A899 T901	M889-K897 WeakPolarHBondContact O-CE 3.3Å; M889-K897 PolarHBondContact O-NZ 3.1Å; M889-K897 HydrophobicContact SD-CD 4.4Å; M889-K897 VanDerWaalsContact SD-CE 3.53Å; M889-K897 HydrophobicContact SD-CG 4.11Å; V892-K897 HydrophobicContact CG1-CG 4.03Å; V892-K897 WeakPolarHBondContact O-CE 3.38Å; V892-K897 PolarHBondContact O-NZ 3.36Å; D893-K897 PolarHBondContact O-N 3.06Å; D893-K897 VanDerWaalsContact O-N 3.13Å; K897-A899 VanDerWaalsContact C-N 3.32Å; K897-T901 WeakPolarHBondContact O-CB 3.33Å; K897-T901 PolarHBondContact O-N 3.19Å; K897-T901 VanDerWaalsContact O-N 3.09Å; K897-T901 PolarHBondContact O-OG1 3.25Å
898	A	89.8	Confident	85.9	Confident	40 Å²	40	67.6 Å²	67.6	33%	0.331	36%	0.359	S	S	.	.	H	α-helix	trans	-69.3	-29	176.9	0	0	0	0	0	112.8	S894 K895 V896 R902	S894-A898 VanDerWaalsContact O-CB 3.32Å; S894-A898 WeakPolarHBondContact O-CB 3.39Å; S894-A898 PolarHBondContact O-N 2.89Å; K895-A898 PolarHBondContact O-N 3.24Å; V896-A898 VanDerWaalsContact C-N 3.33Å; V896-A898 PolarHBondContact O-N 2.89Å; A898-R902 VanDerWaalsContact O-CD 3.25Å; A898-R902 WeakPolarHBondContact O-CD 3.4Å; A898-R902 WeakPolarHBondContact O-CG 3.49Å; A898-R902 PolarHBondContact O-N 3.47Å
899	A	90	Very high	85.6	Confident	28 Å²	28	64.8 Å²	64.8	23%	0.231	35%	0.349	C	S	.	.	H	α-helix	trans	-72.5	-52.2	174.4	0	0	0	0	0	111.3	I856 K895 V896 K897 T901 R902 T903	I856-A899 HydrophobicContact CD1-CB 3.53Å; I856-A899 HydrophobicContact CG1-CB 4.46Å; K895-A899 WeakPolarHBondContact O-CB 3.37Å; K895-A899 PolarHBondContact O-N 3.48Å; V896-A899 WeakPolarHBondContact O-CB 3.24Å; V896-A899 PolarHBondContact O-N 2.89Å; K897-A899 VanDerWaalsContact C-N 3.32Å; A899-T901 VanDerWaalsContact C-N 3.26Å; A899-T901 PolarHBondContact O-N 2.9Å; A899-R902 CarbonylContact O-C 3.32Å; A899-R902 WeakPolarHBondContact O-CA 3.32Å; A899-R902 WeakPolarHBondContact O-CB 3.38Å; A899-R902 PolarHBondContact O-N 3.02Å; A899-T903 PolarHBondContact O-N 3.29Å; A899-T903 PolarHBondContact O-OG1 3.29Å
900	L	88	Confident	85	Confident	15 Å²	15	69.7 Å²	69.7	8%	0.079	38%	0.375	C	S	.	.	H	α-helix	trans	-49.4	-46.2	173.2	178.1	67.1	0	0	0	111.9	L851 I856 A859 I860 L863 V896 R902 T903 Y904	L851-L900 HydrophobicContact CD1-CD2 3.81Å; L851-L900 HydrophobicContact CD2-CB 4.4Å; L851-L900 HydrophobicContact CD2-CD1 4.35Å; L851-L900 HydrophobicContact CD2-CD2 4Å; L851-L900 HydrophobicContact CD2-CG 4.49Å; I856-L900 HydrophobicContact CG2-CB 4.49Å; I856-L900 HydrophobicContact CG2-CD1 4.42Å; A859-L900 HydrophobicContact CB-CD1 4.39Å; I860-L900 HydrophobicContact CG1-CD1 3.97Å; L863-L900 HydrophobicContact CD1-CD1 4.22Å; V896-L900 WeakPolarHBondContact O-CB 3.38Å; V896-L900 PolarHBondContact O-N 3.14Å; L900-R902 VanDerWaalsContact C-N 3.27Å; L900-R902 PolarHBondContact O-N 3.12Å; L900-T903 WeakPolarHBondContact CA-OG1 3.13Å; L900-T903 PolarHBondContact O-N 2.8Å; L900-T903 PolarHBondContact O-OG1 3.45Å; L900-T903 VanDerWaalsContact O-OG1 3.05Å; L900-Y904 VanDerWaalsContact O-CB 3.26Å; L900-Y904 WeakPolarHBondContact O-CB 3.06Å; L900-Y904 PolarHBondContact O-N 3.06Å
901	T	87.7	Confident	84.5	Confident	47 Å²	47	64 Å²	64	29%	0.288	35%	0.345	S	S	.	.	H	α-helix	trans	-65.6	-29.6	177.8	-52.1	0	0	0	0	112.3	K897 A899 N905	K897-T901 WeakPolarHBondContact O-CB 3.33Å; K897-T901 PolarHBondContact O-N 3.19Å; K897-T901 VanDerWaalsContact O-N 3.09Å; K897-T901 PolarHBondContact O-OG1 3.25Å; A899-T901 VanDerWaalsContact C-N 3.26Å; A899-T901 PolarHBondContact O-N 2.9Å; T901-N905 WeakPolarHBondContact O-CB 3.36Å; T901-N905 VanDerWaalsContact O-CG 3.32Å; T901-N905 PolarHBondContact O-N 2.89Å; T901-N905 PolarHBondContact O-ND2 3Å
902	R	87.8	Confident	84	Confident	176 Å²	176	63.4 Å²	63.4	66%	0.664	34%	0.339	S	S	*	.	H	α-helix	trans	-84.8	-22.7	177.9	-73.1	166.9	-176.7	-173.9	1.3	113.7	A898 A899 L900 K906	A898-R902 VanDerWaalsContact O-CD 3.25Å; A898-R902 WeakPolarHBondContact O-CD 3.4Å; A898-R902 WeakPolarHBondContact O-CG 3.49Å; A898-R902 PolarHBondContact O-N 3.47Å; A899-R902 CarbonylContact O-C 3.32Å; A899-R902 WeakPolarHBondContact O-CA 3.32Å; A899-R902 WeakPolarHBondContact O-CB 3.38Å; A899-R902 PolarHBondContact O-N 3.02Å; L900-R902 VanDerWaalsContact C-N 3.27Å; L900-R902 PolarHBondContact O-N 3.12Å; R902-K906 VanDerWaalsContact O-CD 3.29Å; R902-K906 WeakPolarHBondContact O-CD 3.44Å; R902-K906 WeakPolarHBondContact O-CG 3.43Å
903	T	88.1	Confident	83.3	Confident	37 Å²	37	64.6 Å²	64.6	23%	0.227	34%	0.343	C	S	.	.	H	α-helix	trans	-88.4	-42.8	177.7	44.8	0	0	0	0	110.7	I856 I860 A899 L900 N905 K906 S907	I856-T903 HydrophobicContact CG2-CG2 4.23Å; I856-T903 WeakPolarHBondContact CG2-OG1 3.35Å; I860-T903 VanDerWaalsContact CD1-CB 3.42Å; I860-T903 HydrophobicContact CD1-CG2 4.39Å; I860-T903 VanDerWaalsContact CD1-OG1 3.26Å; I860-T903 WeakPolarHBondContact CD1-OG1 3.44Å; A899-T903 PolarHBondContact O-N 3.29Å; A899-T903 PolarHBondContact O-OG1 3.29Å; L900-T903 WeakPolarHBondContact CA-OG1 3.13Å; L900-T903 PolarHBondContact O-N 2.8Å; L900-T903 PolarHBondContact O-OG1 3.45Å; L900-T903 VanDerWaalsContact O-OG1 3.05Å; T903-N905 VanDerWaalsContact C-N 3.27Å; T903-N905 PolarHBondContact O-N 3.35Å; T903-K906 WeakPolarHBondContact O-CA 3.29Å; T903-K906 WeakPolarHBondContact O-CB 3.14Å; T903-K906 PolarHBondContact O-N 3.43Å; T903-S907 PolarHBondContact O-N 3.06Å; T903-S907 PolarHBondContact O-OG 3.13Å
904	Y	87	Confident	82.2	Confident	12 Å²	12	65.7 Å²	65.7	5%	0.047	35%	0.352	C	S	.	.	H	α-helix	trans	-56.3	-39.1	169.8	-175.4	-85.9	0	0	0	112.7	L863 T869 R870 L900 K906 S907 H909	L863-Y904 HydrophobicContact CD1-CD2 4.21Å; T869-Y904 WeakPolarHBondContact CA-OH 3.45Å; R870-Y904 HydrophobicContact CB-CD1 4.15Å; R870-Y904 HydrophobicContact CB-CE1 4.13Å; L900-Y904 VanDerWaalsContact O-CB 3.26Å; L900-Y904 WeakPolarHBondContact O-CB 3.06Å; L900-Y904 PolarHBondContact O-N 3.06Å; Y904-K906 PolarHBondContact O-N 2.91Å; Y904-S907 WeakPolarHBondContact CA-OG 3.34Å; Y904-S907 PolarHBondContact O-OG 2.9Å; Y904-H909 AromaticContact CE1-CE1 3.82Å; Y904-H909 AromaticContact CE2-CE1 3.61Å; Y904-H909 AromaticContact CE2-NE2 3.79Å; Y904-H909 AromaticContact CZ-CE1 3.37Å; Y904-H909 AromaticContact CZ-NE2 3.37Å; Y904-H909 PolarHBondContact OH-CE1 3.46Å; Y904-H909 PolarHBondContact OH-NE2 2.91Å
905	N	85.4	Confident	81	Confident	101 Å²	101	64.1 Å²	64.1	54%	0.54	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	5	174.7	-75.2	-44.8	0	0	0	114.4	T901 T903	T901-N905 WeakPolarHBondContact O-CB 3.36Å; T901-N905 VanDerWaalsContact O-CG 3.32Å; T901-N905 PolarHBondContact O-N 2.89Å; T901-N905 PolarHBondContact O-ND2 3Å; T903-N905 VanDerWaalsContact C-N 3.27Å; T903-N905 PolarHBondContact O-N 3.35Å
906	K	85.5	Confident	79.3	Confident	151 Å²	151	62.3 Å²	62.3	66%	0.657	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-32.4	172.6	-76.1	170.9	-177.4	-178.8	0	112.4	R902 T903 Y904 S908	R902-K906 VanDerWaalsContact O-CD 3.29Å; R902-K906 WeakPolarHBondContact O-CD 3.44Å; R902-K906 WeakPolarHBondContact O-CG 3.43Å; T903-K906 WeakPolarHBondContact O-CA 3.29Å; T903-K906 WeakPolarHBondContact O-CB 3.14Å; T903-K906 PolarHBondContact O-N 3.43Å; Y904-K906 PolarHBondContact O-N 2.91Å; K906-S908 PolarHBondContact O-N 3.31Å
907	S	77.3	Confident	77.2	Confident	29 Å²	29	65.5 Å²	65.5	20%	0.203	37%	0.366	C	S	.	.	S	Bend	trans	-64.7	127.6	168.5	44.8	0	0	0	0	109.5	T903 Y904	T903-S907 PolarHBondContact O-N 3.06Å; T903-S907 PolarHBondContact O-OG 3.13Å; Y904-S907 WeakPolarHBondContact CA-OG 3.34Å; Y904-S907 PolarHBondContact O-OG 2.9Å
908	S	70.5	Confident	74.5	Confident	88 Å²	88	68.7 Å²	68.7	62%	0.615	40%	0.397	S	S	*	.			trans	-98	96.6	167.9	54.4	0	0	0	0	108.6	K906 V966	K906-S908 PolarHBondContact O-N 3.31Å; S908-V966 WeakPolarHBondContact CA-O 3.48Å
909	H	73.9	Confident	71.9	Confident	15 Å²	15	69.2 Å²	69.2	7%	0.069	41%	0.406	C	S	.	.			trans	-106.2	146.1	174	51.3	-79.2	0	0	0	110.2	I864 Y904	I864-H909 HydrophobicContact CD1-CB 4.38Å; I864-H909 HydrophobicContact CG1-CB 4.21Å; I864-H909 HydrophobicContact CG2-CB 4.38Å; Y904-H909 AromaticContact CE1-CE1 3.82Å; Y904-H909 AromaticContact CE2-CE1 3.61Å; Y904-H909 AromaticContact CE2-NE2 3.79Å; Y904-H909 AromaticContact CZ-CE1 3.37Å; Y904-H909 AromaticContact CZ-NE2 3.37Å; Y904-H909 PolarHBondContact OH-CE1 3.46Å; Y904-H909 PolarHBondContact OH-NE2 2.91Å
910	L	71.7	Confident	69	Low	130 Å²	130	73.3 Å²	73.3	68%	0.681	43%	0.432	S	S	*	.	B	Isolated β-bridge	trans	-83.8	137.9	172	-63.6	170.4	0	0	0	108.6	I965	L910-I965 HydrophobicContact CD2-CB 4.48Å; L910-I965 HydrophobicContact CD2-CD1 4.32Å; L910-I965 HydrophobicContact CD2-CG1 3.84Å; L910-I965 HydrophobicContact CD2-CG2 4.28Å
911	L	74.4	Confident	66.2	Low	9 Å²	9	82.3 Å²	82.3	5%	0.047	47%	0.472	C	S	.	.			trans	-115.8	144	171.9	-66.5	170.6	0	0	0	109.5	Q867 T869 Y913 I915 M964 V966	Q867-L911 HydrophobicContact CB-CD2 4.11Å; T869-L911 HydrophobicContact CG2-CD1 4.1Å; L911-Y913 HydrophobicContact CB-CE1 4.32Å; L911-Y913 HydrophobicContact CB-CE2 4.36Å; L911-Y913 HydrophobicContact CD1-CE2 3.95Å; L911-Y913 HydrophobicContact CD2-CE1 4.22Å; L911-Y913 PolarHBondContact O-N 3.4Å; L911-I915 HydrophobicContact CD1-CD1 3.54Å; L911-I915 HydrophobicContact CD1-CG1 3.86Å; L911-M964 PolarHBondContact N-O 3.02Å; L911-M964 WeakPolarHBondContact O-CE 3.38Å; L911-V966 HydrophobicContact CD1-CG2 4.38Å
912	P	71.5	Confident	63.5	Low	61 Å²	61	88.7 Å²	88.7	40%	0.396	50%	0.495	S	S	.	.	S	Bend	trans	-80.1	11.8	178.2	36.2	-37.6	0	0	0	112.7	L823	L823-P912 HydrophobicContact CD1-CB 3.79Å; L823-P912 HydrophobicContact CD1-CG 3.79Å
913	Y	72.4	Confident	60.9	Low	31 Å²	31	90.9 Å²	90.9	12%	0.122	50%	0.503	C	S	.	.	S	Bend	trans	-142.1	149.2	-179.3	56	-97.3	0	0	0	110.7	H820 Q867 T869 L911 I915 M964	H820-Y913 HydrophobicContact CB-CD1 4.25Å; H820-Y913 HydrophobicContact CB-CE1 3.57Å; H820-Y913 AromaticContact CD2-CD1 3.51Å; H820-Y913 AromaticContact CD2-CD2 3.55Å; H820-Y913 AromaticContact CD2-CE1 3.51Å; H820-Y913 AromaticContact CD2-CE2 3.53Å; H820-Y913 AromaticContact CD2-CG 3.55Å; H820-Y913 AromaticContact CD2-CZ 3.51Å; H820-Y913 AromaticContact CE1-CE2 3.79Å; H820-Y913 AromaticContact CG-CE1 3.57Å; H820-Y913 AromaticContact CG-CE2 3.85Å; H820-Y913 AromaticContact CG-CZ 3.45Å; H820-Y913 VanDerWaalsContact CG-CZ 3.45Å; H820-Y913 AromaticContact ND1-CE2 4Å; H820-Y913 AromaticContact ND1-CZ 3.86Å; H820-Y913 AromaticContact NE2-CD2 3.5Å; H820-Y913 WeakPolarHBondContact NE2-CD2 3.37Å; H820-Y913 AromaticContact NE2-CE2 3.51Å; H820-Y913 AromaticContact NE2-CG 3.94Å; H820-Y913 AromaticContact NE2-CZ 3.96Å; Q867-Y913 PolarHBondContact O-OH 3.1Å; T869-Y913 HydrophobicContact CG2-CE2 3.88Å; T869-Y913 WeakPolarHBondContact CG2-OH 3.32Å; L911-Y913 HydrophobicContact CB-CE1 4.32Å; L911-Y913 HydrophobicContact CB-CE2 4.36Å; L911-Y913 HydrophobicContact CD1-CE2 3.95Å; L911-Y913 HydrophobicContact CD2-CE1 4.22Å; L911-Y913 PolarHBondContact O-N 3.4Å; Y913-I915 HydrophobicContact CE2-CG1 4.4Å; Y913-I915 PolarHBondContact O-N 3.29Å; Y913-M964 VanDerWaalsContact C-SD 3.57Å
914	V	66.8	Low	57.9	Low	88 Å²	88	99.2 Å²	99.2	53%	0.533	54%	0.536	S	S	.	.			trans	-74.8	115.9	-179.3	175	0	0	0	0	110	S916 A963 M964	V914-S916 PolarHBondContact O-N 3.03Å; V914-S916 VanDerWaalsContact O-N 3.16Å; V914-A963 HydrophobicContact CG1-CB 3.8Å; V914-M964 HydrophobicContact CB-SD 4.43Å; V914-M964 HydrophobicContact CG2-SD 3.59Å; V914-M964 VanDerWaalsContact CG2-SD 3.59Å
915	I	64	Low	55.3	Low	51 Å²	51	110.5 Å²	110.5	26%	0.262	58%	0.579	S	S	.	*			trans	-71.3	112.8	167.2	-59.6	176.2	0	0	0	108	T869 L911 Y913 S917 A963 V966	T869-I915 HydrophobicContact CG2-CD1 4.2Å; T869-I915 HydrophobicContact CG2-CG1 4.38Å; L911-I915 HydrophobicContact CD1-CD1 3.54Å; L911-I915 HydrophobicContact CD1-CG1 3.86Å; Y913-I915 HydrophobicContact CE2-CG1 4.4Å; Y913-I915 PolarHBondContact O-N 3.29Å; I915-S917 PolarHBondContact O-N 3.42Å; I915-A963 PolarHBondContact N-O 3.32Å; I915-V966 HydrophobicContact CD1-CG2 3.82Å
916	S	54.4	Low	52.6	Low	112 Å²	112	109.4 Å²	109.4	78%	0.783	59%	0.592	S	S	*	*			trans	-72.4	61.6	173.2	-68.6	0	0	0	0	111.9	V914 S918	V914-S916 PolarHBondContact O-N 3.03Å; V914-S916 VanDerWaalsContact O-N 3.16Å; S916-S918 PolarHBondContact O-N 3.29Å
917	S	46.3	Very low	49.8	Very low	93 Å²	93	106.1 Å²	106.1	65%	0.65	60%	0.601	S	S	*	*			trans	-68.8	93.5	-172.4	60.5	0	0	0	0	111.8	I915 G919	I915-S917 PolarHBondContact O-N 3.42Å; S917-G919 PolarHBondContact O-N 2.89Å
918	S	32.7	Very low	47.4	Very low	129 Å²	129	109.1 Å²	109.1	90%	0.902	64%	0.636	S	S	*	*			trans	-72.6	69	-178.9	63.5	0	0	0	0	111.9	S916	S916-S918 PolarHBondContact O-N 3.29Å
919	G	34.2	Very low	45.3	Very low	51 Å²	51	108.4 Å²	108.4	53%	0.526	64%	0.643	S	S	.	*			trans	-148.8	37.6	-152.7	0	0	0	0	0	117.5	S917	S917-G919 PolarHBondContact O-N 2.89Å
920	S	29.2	Very low	43.3	Very low	113 Å²	113	111.8 Å²	111.8	79%	0.79	67%	0.673	S	S	*	*			trans	59.9	96.1	157.4	61.8	0	0	0	0	119.6
921	F	28.7	Very low	41.4	Very low	205 Å²	205	111.2 Å²	111.2	90%	0.899	68%	0.677	S	S	*	*			trans	-115.7	69.8	155.3	-90.5	-74.8	0	0	0	111.6	R923	F921-R923 PolarHBondContact O-N 3.05Å; F921-R923 VanDerWaalsContact O-N 3.11Å
922	K	31.9	Very low	39.2	Very low	181 Å²	181	117 Å²	117	79%	0.787	71%	0.712	S	S	*	*			trans	-81	90.1	176.7	-158.4	164.1	-170.1	168.5	0	110.2
923	R	32.7	Very low	37.2	Very low	221 Å²	221	117.8 Å²	117.8	83%	0.834	72%	0.72	S	S	*	*			trans	-56.5	147.2	177.1	-76.3	-174.6	175	-172.4	-1.6	110.9	F921	F921-R923 PolarHBondContact O-N 3.05Å; F921-R923 VanDerWaalsContact O-N 3.11Å
924	K	26.3	Very low	35.1	Very low	212 Å²	212	125 Å²	125	92%	0.922	75%	0.752	S	S	*	*			trans	-108.5	77.8	-162.2	-170.5	-169.6	173.7	-170.4	0	113.2
925	R	32.7	Very low	33.3	Very low	249 Å²	249	127.1 Å²	127.1	94%	0.94	76%	0.756	S	S	*	*			trans	-115	142.9	149.9	-67	176.9	174.1	170.7	-3.2	105.3
926	G	28.1	Very low	31.6	Very low	78 Å²	78	128 Å²	128	80%	0.804	78%	0.777	S	S	*	*			cis	140	115.1	10.9	0	0	0	0	0	106.3
927	G	26.9	Very low	30.3	Very low	83 Å²	83	131 Å²	131	86%	0.856	78%	0.779	S	S	*	*	S	Bend	trans	94.1	164.5	-166	0	0	0	0	0	113.6
928	G	25.3	Very low	29.3	Very low	91 Å²	91	132.5 Å²	132.5	94%	0.938	78%	0.78	S	S	*	*			trans	-96.4	130.6	-171.9	0	0	0	0	0	113.5
929	G	26.9	Very low	29.3	Very low	73 Å²	73	135.2 Å²	135.2	75%	0.753	78%	0.778	S	S	*	*			trans	-165.4	152.7	174.7	0	0	0	0	0	111.3
930	A	31.7	Very low	28.9	Very low	86 Å²	86	139 Å²	139	71%	0.711	79%	0.787	S	S	*	*			trans	-66.1	154.7	177.4	0	0	0	0	0	111.4	V932	A930-V932 PolarHBondContact O-N 3.14Å
931	P	31.4	Very low	28.9	Very low	119 Å²	119	141.1 Å²	141.1	77%	0.773	79%	0.789	S	S	*	*			trans	-69.8	92.6	177.6	29	-34.7	0	0	0	110.9	S933	P931-S933 PolarHBondContact O-N 3.39Å
932	V	30	Very low	28.9	Very low	129 Å²	129	136.9 Å²	136.9	78%	0.782	79%	0.785	S	S	*	*			trans	-54	135.7	173.5	-176	0	0	0	0	110.3	A930	A930-V932 PolarHBondContact O-N 3.14Å
933	S	28.6	Very low	28.9	Very low	78 Å²	78	132 Å²	132	55%	0.545	79%	0.786	S	S	.	*			trans	-72.1	124.8	175.6	45.1	0	0	0	0	111	P931 E935	P931-S933 PolarHBondContact O-N 3.39Å; S933-E935 PolarHBondContact O-N 3.26Å
934	F	27.9	Very low	28.6	Very low	183 Å²	183	128.1 Å²	128.1	80%	0.803	78%	0.781	S	S	*	*			trans	-85.8	101.9	165.7	-172.5	-101.6	0	0	0	108.4
935	E	28.6	Very low	28.7	Very low	132 Å²	132	126 Å²	126	62%	0.617	77%	0.772	S	S	*	*			trans	-106	146.8	172	-67.6	-163.9	140.6	0	0	110.5	S933	S933-E935 PolarHBondContact O-N 3.26Å
936	G	28.5	Very low	28.7	Very low	69 Å²	69	120.4 Å²	120.4	71%	0.711	76%	0.761	S	S	*	*			trans	40.4	93.2	153.3	0	0	0	0	0	120.1	N938	G936-N938 PolarHBondContact O-N 3.45Å
937	E	27.3	Very low	28.8	Very low	177 Å²	177	123.5 Å²	123.5	83%	0.827	76%	0.759	S	S	*	*			trans	-66.8	112.1	145.4	-76.7	167.7	-163.1	0	0	108.4
938	N	25.7	Very low	29.1	Very low	123 Å²	123	127.6 Å²	127.6	66%	0.658	76%	0.762	S	S	*	*			trans	-161	62.3	-178	-143.3	-0	0	0	0	111.9	G936	G936-N938 PolarHBondContact O-N 3.45Å
939	E	31.7	Very low	29.3	Very low	187 Å²	187	132 Å²	132	87%	0.874	76%	0.758	S	S	*	*			trans	-134.3	124.9	174.6	-120.6	126.4	-123.2	0	0	111.6
940	N	26.6	Very low	29.3	Very low	130 Å²	130	136.9 Å²	136.9	70%	0.695	76%	0.761	S	S	*	*			trans	-95.9	165.4	148	-82.2	-124.9	0	0	0	106.6
941	D	30.3	Very low	29.3	Very low	158 Å²	158	141.6 Å²	141.6	85%	0.845	77%	0.768	S	S	*	*			trans	90.6	147.8	159.2	-132.2	-14.4	0	0	0	116.5
942	S	28.3	Very low	29	Very low	115 Å²	115	145 Å²	145	80%	0.804	77%	0.774	S	S	*	*			trans	-108.3	128.2	-164.1	52.5	0	0	0	0	112.3
943	G	31.1	Very low	29.1	Very low	80 Å²	80	147.8 Å²	147.8	83%	0.825	78%	0.778	S	S	*	*			trans	-131.6	129.7	170.9	0	0	0	0	0	110.7
944	L	26.3	Very low	29.1	Very low	139 Å²	139	152 Å²	152	73%	0.728	80%	0.795	S	S	*	*			trans	-94	172.9	176.8	-173.4	59.6	0	0	0	109.8
945	F	29	Very low	29.5	Very low	166 Å²	166	152.1 Å²	152.1	73%	0.728	80%	0.798	S	S	*	*			trans	78.2	129.3	174.4	-47.5	-66.8	0	0	0	114
946	D	33.1	Very low	29.8	Very low	132 Å²	132	155.2 Å²	155.2	71%	0.706	81%	0.809	S	S	*	*			cis	-142.7	159.4	-0.3	-78.5	-42.7	0	0	0	111.6
947	D	29.3	Very low	30.3	Very low	143 Å²	143	158.8 Å²	158.8	77%	0.765	82%	0.817	S	S	*	*			trans	16.3	122.6	154.3	-52.2	-19.5	0	0	0	121.6
948	D	34.4	Very low	31.1	Very low	170 Å²	170	153.8 Å²	153.8	91%	0.909	80%	0.796	S	S	*	*				-158.5	156.2	110.3	-102.6	-28.6	0	0	0	109.1
949	E	29.1	Very low	32.4	Very low	182 Å²	182	153.9 Å²	153.9	85%	0.85	80%	0.796	S	S	*	*			trans	-93.9	-176.4	-162.9	-59.6	-173.1	111.3	0	0	115.8
950	E	27.1	Very low	33.5	Very low	176 Å²	176	151.4 Å²	151.4	82%	0.822	78%	0.782	S	S	*	*			trans	70.9	136.7	167.3	-56.4	178.6	-178.9	0	0	117.9
951	E	30.2	Very low	34.7	Very low	185 Å²	185	150.7 Å²	150.7	86%	0.864	78%	0.778	S	S	*	*			cis	-155.6	169.1	-15.4	-125	-174.8	174.1	0	0	108.7
952	Q	25.9	Very low	35.8	Very low	192 Å²	192	146.5 Å²	146.5	90%	0.897	76%	0.756	S	S	*	*			trans	-97.3	128	-176.1	-68.3	-179.9	-11.5	0	0	113.5
953	E	31.6	Very low	37.3	Very low	187 Å²	187	143.5 Å²	143.5	87%	0.874	74%	0.738	S	S	*	*			trans	-133.8	128	161.1	-74.4	-161.7	132.6	0	0	112	E955	E953-E955 PolarHBondContact O-N 3.29Å; E953-E955 VanDerWaalsContact O-N 3.09Å
954	D	29.6	Very low	38.7	Very low	166 Å²	166	142.7 Å²	142.7	89%	0.888	71%	0.714	S	S	*	*			trans	-79.5	78.7	-176	-75.1	-58	0	0	0	114.1	K956	D954-K956 PolarHBondContact O-N 2.7Å
955	E	35.6	Very low	40.3	Very low	186 Å²	186	138.2 Å²	138.2	87%	0.869	69%	0.69	S	S	*	*			trans	-80.6	105.6	170.8	-75.6	-140.5	120.2	0	0	113.4	E953	E953-E955 PolarHBondContact O-N 3.29Å; E953-E955 VanDerWaalsContact O-N 3.09Å
956	K	35.8	Very low	41.7	Very low	196 Å²	196	131.7 Å²	131.7	85%	0.852	66%	0.664	S	S	*	*			trans	-35.5	141.2	176.9	-66.6	154	-176.6	159.2	0	116	D954 D958	D954-K956 PolarHBondContact O-N 2.7Å; K956-D958 PolarHBondContact O-N 2.58Å
957	V	37.9	Very low	42.8	Very low	144 Å²	144	128.9 Å²	128.9	87%	0.873	65%	0.648	S	S	*	*			trans	-54.4	97.7	173.5	-176.6	0	0	0	0	111.9	L959	V957-L959 PolarHBondContact O-N 2.69Å
958	D	44	Very low	43.7	Very low	72 Å²	72	127.8 Å²	127.8	39%	0.385	64%	0.636	S	S	.	*			trans	-86	104.4	178.6	-164.6	8.3	0	0	0	111.1	K956 K960 N961	K956-D958 PolarHBondContact O-N 2.58Å; D958-K960 PolarHBondContact O-N 2.84Å; D958-K960 IonicContact OD1-NZ 3.78Å; D958-K960 PolarHBondContact OD1-NZ 3.13Å; D958-K960 IonicContact OD2-NZ 3.55Å; D958-K960 PolarHBondContact OD2-NZ 2.73Å; D958-N961 PolarHBondContact O-N 2.65Å; D958-N961 VanDerWaalsContact O-N 3.08Å
959	L	53.9	Low	44.3	Very low	126 Å²	126	129.3 Å²	129.3	66%	0.66	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-49.4	-10.6	177.6	-76.5	158	0	0	0	115.3	V957 N961	V957-L959 PolarHBondContact O-N 2.69Å; L959-N961 VanDerWaalsContact C-N 3.31Å
960	K	53.9	Low	44.9	Very low	135 Å²	135	126.5 Å²	126.5	59%	0.587	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-80.1	-7	177.6	-56.9	-176.1	-147.9	73.6	0	114.4	D958 I967	D958-K960 PolarHBondContact O-N 2.84Å; D958-K960 IonicContact OD1-NZ 3.78Å; D958-K960 PolarHBondContact OD1-NZ 3.13Å; D958-K960 IonicContact OD2-NZ 3.55Å; D958-K960 PolarHBondContact OD2-NZ 2.73Å; K960-I967 VanDerWaalsContact O-CD1 3.24Å; K960-I967 WeakPolarHBondContact O-CD1 3.21Å
961	N	51.7	Low	45.5	Very low	115 Å²	115	124.1 Å²	124.1	62%	0.615	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-109.5	1.4	-179.1	-57.4	-47.6	0	0	0	113.3	D958 L959 A963	D958-N961 PolarHBondContact O-N 2.65Å; D958-N961 VanDerWaalsContact O-N 3.08Å; L959-N961 VanDerWaalsContact C-N 3.31Å; N961-A963 PolarHBondContact O-N 3.13Å
962	D	53.5	Low	46	Very low	69 Å²	69	123.6 Å²	123.6	37%	0.369	61%	0.612	S	S	.	*			trans	-73.7	119	-179.8	-174.1	-8.1	0	0	0	111.3	M964 I965	D962-M964 PolarHBondContact O-N 3.45Å; D962-M964 VanDerWaalsContact OD1-CB 3.3Å; D962-M964 WeakPolarHBondContact OD1-CB 3.32Å; D962-M964 WeakPolarHBondContact OD1-CG 3.26Å; D962-M964 PolarHBondContact OD1-N 3.35Å; D962-I965 HydrophobicContact CB-CD1 3.93Å; D962-I965 HydrophobicContact CB-CG1 3.96Å; D962-I965 PolarHBondContact O-N 2.67Å
963	A	60.5	Low	46.7	Very low	52 Å²	52	122.6 Å²	122.6	43%	0.43	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.5	-2.6	-178.7	0	0	0	0	0	114.3	V914 I915 N961	V914-A963 HydrophobicContact CG1-CB 3.8Å; I915-A963 PolarHBondContact N-O 3.32Å; N961-A963 PolarHBondContact O-N 3.13Å
964	M	60.4	Low	47.1	Very low	64 Å²	64	121.2 Å²	121.2	32%	0.315	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.5	-10.5	169.2	-55.7	-70.6	-82.9	0	0	112.6	L911 Y913 V914 D962	L911-M964 PolarHBondContact N-O 3.02Å; L911-M964 WeakPolarHBondContact O-CE 3.38Å; Y913-M964 VanDerWaalsContact C-SD 3.57Å; V914-M964 HydrophobicContact CB-SD 4.43Å; V914-M964 HydrophobicContact CG2-SD 3.59Å; V914-M964 VanDerWaalsContact CG2-SD 3.59Å; D962-M964 PolarHBondContact O-N 3.45Å; D962-M964 VanDerWaalsContact OD1-CB 3.3Å; D962-M964 WeakPolarHBondContact OD1-CB 3.32Å; D962-M964 WeakPolarHBondContact OD1-CG 3.26Å; D962-M964 PolarHBondContact OD1-N 3.35Å
965	I	60.4	Low	47.6	Very low	44 Å²	44	122.8 Å²	122.8	23%	0.226	59%	0.589	C	S	.	*	B	Isolated β-bridge	trans	-116.6	117.6	-172.6	-44.4	-176.4	0	0	0	111.1	L910 D962 I967	L910-I965 HydrophobicContact CD2-CB 4.48Å; L910-I965 HydrophobicContact CD2-CD1 4.32Å; L910-I965 HydrophobicContact CD2-CG1 3.84Å; L910-I965 HydrophobicContact CD2-CG2 4.28Å; D962-I965 HydrophobicContact CB-CD1 3.93Å; D962-I965 HydrophobicContact CB-CG1 3.96Å; D962-I965 PolarHBondContact O-N 2.67Å; I965-I967 HydrophobicContact CB-CD1 4.29Å; I965-I967 HydrophobicContact CB-CG1 4.02Å; I965-I967 HydrophobicContact CG2-CG1 3.74Å; I965-I967 PolarHBondContact O-N 2.95Å
966	V	58.7	Low	48	Very low	30 Å²	30	118.6 Å²	118.6	18%	0.182	57%	0.572	C	S	.	*			trans	-77.2	90.3	172.1	-176.9	0	0	0	0	109.6	S908 L911 I915	S908-V966 WeakPolarHBondContact CA-O 3.48Å; L911-V966 HydrophobicContact CD1-CG2 4.38Å; I915-V966 HydrophobicContact CD1-CG2 3.82Å
967	I	54.4	Low	48.6	Very low	72 Å²	72	114.9 Å²	114.9	37%	0.369	56%	0.561	S	S	.	*			trans	-81.9	130	-171.1	-63.7	146.5	0	0	0	112.6	K960 I965 K969	K960-I967 VanDerWaalsContact O-CD1 3.24Å; K960-I967 WeakPolarHBondContact O-CD1 3.21Å; I965-I967 HydrophobicContact CB-CD1 4.29Å; I965-I967 HydrophobicContact CB-CG1 4.02Å; I965-I967 HydrophobicContact CG2-CG1 3.74Å; I965-I967 PolarHBondContact O-N 2.95Å; I967-K969 PolarHBondContact O-N 2.62Å
968	K	49.5	Very low	48.9	Very low	120 Å²	120	112.1 Å²	112.1	52%	0.522	55%	0.545	S	S	.	.			trans	-51.6	113.4	171	-179.8	-164.6	-175.4	-167.4	0	111.9	E970	K968-E970 HydrophobicContact CD-CG 4.01Å; K968-E970 VanDerWaalsContact CE-OE1 3.27Å; K968-E970 WeakPolarHBondContact CE-OE1 3.45Å; K968-E970 HydrophobicContact CG-CG 4.24Å; K968-E970 IonicContact NZ-OE1 3.52Å; K968-E970 PolarHBondContact NZ-OE1 3.42Å; K968-E970 PolarHBondContact O-N 3.23Å; K968-E970 VanDerWaalsContact O-N 3.1Å
969	K	47.4	Very low	49	Very low	202 Å²	202	115.8 Å²	115.8	88%	0.878	56%	0.56	S	S	*	*			trans	-71.3	100.4	170.8	-70	-178.9	179.6	175.3	0	110.6	I967	I967-K969 PolarHBondContact O-N 2.62Å
970	E	40.6	Very low	48.7	Very low	124 Å²	124	117.5 Å²	117.5	58%	0.579	56%	0.562	S	S	*	*			trans	-83.8	134.1	170.8	-62.6	-151.7	143.2	0	0	112.1	K968 Q972	K968-E970 HydrophobicContact CD-CG 4.01Å; K968-E970 VanDerWaalsContact CE-OE1 3.27Å; K968-E970 WeakPolarHBondContact CE-OE1 3.45Å; K968-E970 HydrophobicContact CG-CG 4.24Å; K968-E970 IonicContact NZ-OE1 3.52Å; K968-E970 PolarHBondContact NZ-OE1 3.42Å; K968-E970 PolarHBondContact O-N 3.23Å; K968-E970 VanDerWaalsContact O-N 3.1Å; E970-Q972 PolarHBondContact O-N 3.32Å
971	D	40.4	Very low	48.4	Very low	126 Å²	126	115.2 Å²	115.2	67%	0.674	56%	0.563	S	S	*	*			trans	-67.2	97.7	177.9	-77.9	-53.8	0	0	0	111.8	K973 K974	D971-K973 PolarHBondContact O-N 3.43Å; D971-K974 PolarHBondContact O-N 3.38Å; D971-K974 VanDerWaalsContact O-N 3.1Å
972	Q	39.6	Very low	48.3	Very low	174 Å²	174	118.6 Å²	118.6	81%	0.813	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.3	-19.9	175.9	-70.4	-175.8	-16.5	0	0	114.2	E970 K974	E970-Q972 PolarHBondContact O-N 3.32Å; Q972-K974 VanDerWaalsContact C-N 3.28Å; Q972-K974 PolarHBondContact O-N 3.17Å
973	K	41.9	Very low	47.8	Very low	170 Å²	170	122.6 Å²	122.6	74%	0.739	59%	0.593	S	S	*	*	H	α-helix	trans	-58	-31.7	175.1	-78.3	-174.7	171.6	-179.5	0	114.2	D971	D971-K973 PolarHBondContact O-N 3.43Å
974	K	40.5	Very low	47	Very low	159 Å²	159	128.3 Å²	128.3	69%	0.691	61%	0.611	S	S	*	*	H	α-helix	trans	-74.3	-26.1	-171.2	-79.2	-173.3	173.9	-179.6	0	115.5	D971 Q972 T978	D971-K974 PolarHBondContact O-N 3.38Å; D971-K974 VanDerWaalsContact O-N 3.1Å; Q972-K974 VanDerWaalsContact C-N 3.28Å; Q972-K974 PolarHBondContact O-N 3.17Å; K974-T978 PolarHBondContact O-OG1 3.03Å
975	R	38.1	Very low	45.8	Very low	198 Å²	198	137.4 Å²	137.4	75%	0.747	64%	0.641	S	S	*	*	H	α-helix	trans	-70.7	-43.1	179.7	-73.5	-169.1	177.5	-158.9	-0.1	112.1	D977 T978 E979	R975-D977 VanDerWaalsContact C-N 3.29Å; R975-D977 PolarHBondContact O-N 3.32Å; R975-T978 WeakPolarHBondContact O-CB 3.45Å; R975-T978 PolarHBondContact O-N 2.77Å; R975-E979 PolarHBondContact O-N 3.05Å
976	I	45.3	Very low	44.6	Very low	99 Å²	99	138.8 Å²	138.8	51%	0.508	67%	0.666	S	S	.	*	H	α-helix	trans	-61.3	-34.3	-173.5	-58	174.7	0	0	0	112.7	T978	I976-T978 VanDerWaalsContact C-N 3.35Å
977	D	47.5	Very low	43.6	Very low	117 Å²	117	145.6 Å²	145.6	63%	0.626	70%	0.696	S	S	*	*	H	α-helix	trans	-78.9	-18.1	178.3	-63.4	-27.6	0	0	0	113.1	R975 S981	R975-D977 VanDerWaalsContact C-N 3.29Å; R975-D977 PolarHBondContact O-N 3.32Å; D977-S981 PolarHBondContact O-OG 2.82Å
978	T	45.2	Very low	42.7	Very low	87 Å²	87	150.3 Å²	150.3	53%	0.534	72%	0.717	S	S	.	*	H	α-helix	trans	-86.7	-25.8	-175.7	-51.8	0	0	0	0	112.7	K974 R975 I976 S981	K974-T978 PolarHBondContact O-OG1 3.03Å; R975-T978 WeakPolarHBondContact O-CB 3.45Å; R975-T978 PolarHBondContact O-N 2.77Å; I976-T978 VanDerWaalsContact C-N 3.35Å; T978-S981 PolarHBondContact O-OG 3.16Å
979	E	45.8	Very low	41.9	Very low	149 Å²	149	149.8 Å²	149.8	70%	0.696	73%	0.727	S	S	*	*	H	α-helix	trans	-82.4	-39.2	176.1	-68.7	174.3	146	0	0	111.8	R975 S981 K982	R975-E979 PolarHBondContact O-N 3.05Å; E979-S981 PolarHBondContact O-N 3.24Å; E979-S981 VanDerWaalsContact O-N 3.15Å; E979-K982 PolarHBondContact O-N 3.23Å
980	K	47.5	Very low	41.3	Very low	161 Å²	161	145.8 Å²	145.8	70%	0.7	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-16.5	179.6	-71.4	-176.7	176.3	-178.9	0	114.6
981	S	47.6	Very low	41.1	Very low	87 Å²	87	144.8 Å²	144.8	61%	0.608	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-5.4	-178	37	0	0	0	0	114.4	D977 T978 E979	D977-S981 PolarHBondContact O-OG 2.82Å; T978-S981 PolarHBondContact O-OG 3.16Å; E979-S981 PolarHBondContact O-N 3.24Å; E979-S981 VanDerWaalsContact O-N 3.15Å
982	K	48.5	Very low	41	Very low	186 Å²	186	143.3 Å²	143.3	81%	0.809	73%	0.731	S	S	*	*	S	Bend	trans	-92.2	-8.3	178.3	-76.6	-171.3	172.6	-174.7	0	115.6	E979	E979-K982 PolarHBondContact O-N 3.23Å
983	L	44.6	Very low	40.9	Very low	154 Å²	154	142 Å²	142	81%	0.806	73%	0.729	S	S	*	*	S	Bend	trans	-101.4	11.7	-168.7	-89.9	161	0	0	0	115.1
984	Q	43.3	Very low	40.7	Very low	171 Å²	171	138.8 Å²	138.8	80%	0.799	73%	0.728	S	S	*	*	S	Bend	trans	-140.3	134.4	178.7	-65.2	-174.4	-7.2	0	0	111.3
985	R	36.1	Very low	40.6	Very low	255 Å²	255	138.7 Å²	138.7	96%	0.962	74%	0.735	S	S	*	*			trans	72	91.3	178.9	-57.4	177.8	172.9	-179.4	-5.3	116.2
986	G	34.7	Very low	40.5	Very low	73 Å²	73	136.6 Å²	136.6	75%	0.753	74%	0.739	S	S	*	*			trans	-119.4	121.7	141.3	0	0	0	0	0	108.7
987	E	37.3	Very low	40.1	Very low	173 Å²	173	136.9 Å²	136.9	81%	0.808	75%	0.745	S	S	*	*			trans	-175.5	120.6	158.2	-109.3	175.5	157.7	0	0	109.2
988	Q	35.5	Very low	39.5	Very low	171 Å²	171	140.4 Å²	140.4	80%	0.799	76%	0.755	S	S	*	*			trans	45	147	146.9	-55.1	-178.3	28.4	0	0	121.6
989	C	32	Very low	39	Very low	109 Å²	109	143.2 Å²	143.2	74%	0.736	77%	0.772	S	S	*	*			cis	-172.3	147.1	-27.2	-113.2	0	0	0	0	108.7
990	S	35.8	Very low	38.5	Very low	118 Å²	118	148.2 Å²	148.2	83%	0.825	79%	0.785	S	S	*	*			trans	57	150.8	164.5	38.6	0	0	0	0	119.2
991	S	37	Very low	37.9	Very low	103 Å²	103	144 Å²	144	72%	0.72	79%	0.787	S	S	*	*			cis	-162	174.5	-9.7	49.8	0	0	0	0	110.6
992	S	37.2	Very low	37.3	Very low	95 Å²	95	152.5 Å²	152.5	66%	0.664	81%	0.805	S	S	*	*			trans	61.6	111.7	159	51.5	0	0	0	0	121.3
993	D	37.7	Very low	36.7	Very low	146 Å²	146	147.5 Å²	147.5	78%	0.781	81%	0.807	S	S	*	*				76	88.1	123.7	-53.9	-14.9	0	0	0	123.4
994	S	37.2	Very low	36.3	Very low	103 Å²	103	152.7 Å²	152.7	72%	0.72	82%	0.816	S	S	*	*				90.9	143.8	117.2	84.6	0	0	0	0	121.3
995	N	38.3	Very low	36.1	Very low	157 Å²	157	148 Å²	148	84%	0.84	81%	0.813	S	S	*	*			trans	71.1	128.6	155	-73.5	-32.9	0	0	0	123
996	N	35.7	Very low	36.1	Very low	154 Å²	154	148.3 Å²	148.3	82%	0.824	81%	0.814	S	S	*	*			trans	87.9	145.7	152.7	-127.3	-20.4	0	0	0	120.7
997	T	38.1	Very low	36.2	Very low	105 Å²	105	148.2 Å²	148.2	64%	0.644	81%	0.814	S	S	*	*			trans	-104.7	157.1	-148.6	62.3	0	0	0	0	114.9
998	K	33.7	Very low	36.3	Very low	191 Å²	191	151.9 Å²	151.9	83%	0.83	82%	0.82	S	S	*	*			trans	55.2	98.5	152.8	-64.6	162.3	178.9	171	0	118.6
999	V	36	Very low	36.5	Very low	147 Å²	147	149.2 Å²	149.2	89%	0.891	82%	0.82	S	S	*	*				-155.1	111.3	122	178.8	0	0	0	0	111
1000	R	33.9	Very low	36.8	Very low	254 Å²	254	156.1 Å²	156.1	96%	0.958	83%	0.831	S	S	*	*			trans	-157.6	141.6	149.8	-78.2	-165	175.2	165.7	-1.2	108
1001	G	36.7	Very low	37.1	Very low	72 Å²	72	153.7 Å²	153.7	74%	0.742	82%	0.824	S	S	*	*			cis	177.4	133.3	-10.6	0	0	0	0	0	110.7
1002	R	34	Very low	37.3	Very low	265 Å²	265	161.2 Å²	161.2	100%	1	84%	0.837	S	S	*	*			trans	-78.7	135.4	168.2	-78.1	175.3	165.6	173.6	-4.6	108.9
1003	G	36.9	Very low	38.1	Very low	81 Å²	81	160.3 Å²	160.3	84%	0.835	84%	0.843	S	S	*	*			trans	-152.9	134	176.6	0	0	0	0	0	113.3
1004	R	36	Very low	38	Very low	264 Å²	264	162.6 Å²	162.6	100%	0.996	85%	0.845	S	S	*	*			trans	-116.8	142.3	175.4	-75.2	171.9	161.8	173.4	-7.2	109.7
1005	G	37.4	Very low	38.8	Very low	72 Å²	72	168.8 Å²	168.8	74%	0.742	87%	0.871	S	S	*	*			trans	-179.3	116	162	0	0	0	0	0	108.9
1006	R	37.8	Very low	38.9	Very low	261 Å²	261	169.4 Å²	169.4	99%	0.985	87%	0.872	S	S	*	*				59.6	115.5	58	-80.5	-169.4	163.4	-170.7	-3.6	114.1
1007	G	37	Very low	39	Very low	72 Å²	72	170.2 Å²	170.2	74%	0.742	88%	0.875	S	S	*	*			trans	162.1	107.2	154.3	0	0	0	0	0	117
1008	R	38.6	Very low	39.1	Very low	249 Å²	249	173.8 Å²	173.8	94%	0.94	89%	0.888	S	S	*	*			trans	60.9	123.8	153.8	-59	172.2	175.9	171.3	-2.8	117.2
1009	S	38.5	Very low	39.4	Very low	116 Å²	116	172.8 Å²	172.8	81%	0.811	89%	0.891	S	S	*	*			cis	79.8	107.2	23	-163.3	0	0	0	0	117.1
1010	R	40.1	Very low	39.6	Very low	254 Å²	254	174.4 Å²	174.4	96%	0.958	89%	0.891	S	S	*	*			trans	173.7	141.1	149.6	-97.2	164.7	179	-174.5	-1.6	107.6
1011	G	40.7	Very low	40	Very low	66 Å²	66	169.1 Å²	169.1	68%	0.68	89%	0.886	S	S	*	*			cis	168.3	167.1	-8.3	0	0	0	0	0	111.9
1012	R	41.8	Very low	40.2	Very low	262 Å²	262	176.1 Å²	176.1	99%	0.989	90%	0.897	S	S	*	*			trans	71.8	138.4	-176.2	-56.4	-179.9	171.4	-176.9	-4.5	115.1
1013	G	53.6	Low	40.7	Very low	76 Å²	76	169.2 Å²	169.2	78%	0.784	89%	0.889	S	S	*	*			cis	-168.4	159.9	-6.9	0	0	0	0	0	111.8
1014	K	35.8	Very low	41	Very low	193 Å²	193	176.6 Å²	176.6	84%	0.839	89%	0.893	S	S	*	*			trans	-103	155.8	163	-66	-176.6	168.5	-170.1	0	108.3
1015	D	55.1	Low	41.5	Very low	234 Å²	234	168.6 Å²	168.6	100%	1.251	88%	0.884	S	S	*	*				-138	0	93.2	-82	-35.1	0	0	0	108.9

Retrieved 1,015 of 1,015 residues in 1270.7 ms (Link to these results)

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