A0A077Z8L4_TRITR Loading...

Protein UNC 41, b

AlphaFold DB , UniProt , Accession A0A077Z8L4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 973 aa.

						>A0A077Z8L4_TRITR|A0A077Z8L4
MKSQDADEGSVNADTNHPSSVEHTSSSDWLEFQRMSDEVKATVSGTQKKLKELEASSALRFIPEKPYETDPAATASYLEAIESEDNQDRASWKPIKDQLDEEIKKQRDLLKPKRPPPPKASESASTNLFGTQREGSPYAKAYPSWDDENAVEFYSQIPDHPQSLAQSHLPENHNNAYSASVRGIANAPLKPPTAAANEATGCSVKEAKGDKSSSEDEDGPQSAMHMFSVNAPAAKRQPFEGSPMGDGEDSSGKPLASAEENTDNKTGFYKWTSFNTFSQLPSSESGFFSGKEAQTAENSADPFAPAKPEDIFSSVLTMPADPFEVVDPEKIVNAAKEDAQRRLAEHEVTDDINFFASCQPTTDHQQTFDPANATFQDNFVPSMHDHSPSPPLFEEDDSEPLEPFYPPTPAEGWNLHIRYPIKKKLVGERCWKPVHVRLANRKVVQIAHSSNDKSPFQEFALQPTYCLTTVALQQYDSFGKIHATKLQHVLYKERVGIRPGQIPRLVEGQFTKLGMPLEHAAQTVQLVKFGSLDAKELNAFVASIEDALFKLEAKREQPGAYKQDEIQVHCYDEYVADVSRTGLVKSHRARVRIFCLAFVTGMPWVEIGLNDRRRQGLEVVRRKDIMPMYTERWIRFEECEFHSTVDKEAYDRDQVIRLKPLDACFVEVFRFRVRPPKLRELPLRISATMNIMGSKIEIRIECMVAGFCSRKARQVPCEDIQIRFPIPEAWIYLFREERYWGYGSVHAKLRRPGKVKNIRDRLMGMVQPLDSSLMEVAIGDAKYEHVYRSLVWRIPRLPEKSHEAYKTHLFKCRFELTSFDMMPEAFIPTCEVEFTMPIATVSNTVIRSVAVDQHEDPEHVEKWVRYLSKYSYTVEIDYVQTSELQIDAITDPTIVNPEATLEKEVTVHKPEIDTNVAKELHEGYRINFSPAEQGRKDSITTEENRSSSSDDEESKNEKSHFPLVQINMAGYGY
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	43	Very low	248 Å²	248	143.6 Å²	143.6	100%	1.222	82%	0.82	S	S	*	*				0	173	0	-70.9	160.4	109.8	0	0	108.1
2	K	38.7	Very low	42.7	Very low	194 Å²	194	144.8 Å²	144.8	84%	0.843	82%	0.822	S	S	*	*			trans	-50.7	146.1	-178.9	-62.8	-178	178.6	-175	0	112.2
3	S	43.2	Very low	42.5	Very low	92 Å²	92	140.2 Å²	140.2	64%	0.643	81%	0.812	S	S	*	*			cis	70.7	142.9	41.2	95.8	0	0	0	0	112.6
4	Q	47	Very low	42.2	Very low	148 Å²	148	141.1 Å²	141.1	69%	0.692	81%	0.812	S	S	*	*			cis	-171.4	178.9	1.5	-135.9	178.2	-79.3	0	0	111.2
5	D	54.6	Low	41.9	Very low	131 Å²	131	140 Å²	140	70%	0.701	81%	0.809	S	S	*	*			trans	66.6	148.4	153.7	-50.6	-26.2	0	0	0	120.4
6	A	44.8	Very low	41.5	Very low	87 Å²	87	140.9 Å²	140.9	72%	0.719	81%	0.811	S	S	*	*			cis	104.7	138.5	11.1	0	0	0	0	0	115.8
7	D	41.7	Very low	41.1	Very low	157 Å²	157	143.6 Å²	143.6	84%	0.84	81%	0.814	S	S	*	*			cis	-167.8	-166.9	-17.3	-139	-75.5	0	0	0	113.3
8	E	40.5	Very low	40.8	Very low	194 Å²	194	142.6 Å²	142.6	91%	0.907	81%	0.813	S	S	*	*			trans	76.7	147.2	163.6	-67.7	-173.1	165.2	0	0	123.4
9	G	40.9	Very low	40.6	Very low	81 Å²	81	140.7 Å²	140.7	84%	0.835	81%	0.81	S	S	*	*			trans	152.2	111.3	156.4	0	0	0	0	0	121.2
10	S	41.2	Very low	40.5	Very low	121 Å²	121	139 Å²	139	85%	0.846	81%	0.807	S	S	*	*			trans	-74.7	169.4	-175.4	-15.6	0	0	0	0	116.9
11	V	42	Very low	40.3	Very low	127 Å²	127	138.8 Å²	138.8	77%	0.77	81%	0.807	S	S	*	*			cis	-173.5	170.7	-10.4	115.4	0	0	0	0	111.9
12	N	39.2	Very low	40.3	Very low	158 Å²	158	134.4 Å²	134.4	85%	0.845	78%	0.784	S	S	*	*			trans	94.5	137	154.6	-96.7	-4.8	0	0	0	125
13	A	40.8	Very low	40.2	Very low	84 Å²	84	132.2 Å²	132.2	69%	0.694	78%	0.776	S	S	*	*			trans	83.1	100.4	147.2	0	0	0	0	0	123.7
14	D	38.8	Very low	40.4	Very low	153 Å²	153	133 Å²	133	82%	0.818	78%	0.777	S	S	*	*				86.8	117.8	129.4	-65.2	-5	0	0	0	125.7
15	T	37.1	Very low	40.5	Very low	125 Å²	125	130.5 Å²	130.5	77%	0.767	78%	0.776	S	S	*	*			trans	84.6	116.9	152.3	57.6	0	0	0	0	121.9
16	N	35.5	Very low	40.7	Very low	155 Å²	155	127 Å²	127	83%	0.829	76%	0.762	S	S	*	*			trans	72.1	76.5	151.4	-59.1	-15.6	0	0	0	119.4
17	H	34.8	Very low	42.2	Very low	186 Å²	186	126.3 Å²	126.3	86%	0.861	75%	0.752	S	S	*	*			trans	-118.1	130.3	154.1	-98.8	-70.5	0	0	0	111
18	P	36.5	Very low	43.6	Very low	125 Å²	125	124.2 Å²	124.2	81%	0.812	74%	0.741	S	S	*	*			trans	-81.5	115	160	31.6	-28.6	0	0	0	109.1
19	S	35.5	Very low	45.1	Very low	107 Å²	107	122.6 Å²	122.6	75%	0.748	73%	0.726	S	S	*	*			trans	-85.9	136.4	176.1	46.3	0	0	0	0	111.8
20	S	38.8	Very low	47.1	Very low	107 Å²	107	124 Å²	124	75%	0.748	71%	0.714	S	S	*	*			trans	-67.7	128	176.8	50.9	0	0	0	0	111.9
21	V	36.5	Very low	49	Very low	134 Å²	134	124 Å²	124	81%	0.812	70%	0.701	S	S	*	*			trans	-123.6	85.5	165.2	-176.6	0	0	0	0	108
22	E	37.7	Very low	50.8	Low	156 Å²	156	123.7 Å²	123.7	73%	0.729	69%	0.689	S	S	*	*			trans	-118.9	154.6	174.4	-65.4	-170.8	120.2	0	0	110.4
23	H	38	Very low	52.8	Low	148 Å²	148	120.5 Å²	120.5	69%	0.685	67%	0.67	S	S	*	*			trans	60.9	63.6	167.6	-51.2	-59.8	0	0	0	118.4
24	T	46.1	Very low	55	Low	109 Å²	109	125.3 Å²	125.3	67%	0.669	67%	0.67	S	S	*	*	S	Bend	trans	-110.6	-50.7	151.5	53.1	0	0	0	0	112.3	S26 S27	T24-S26 PolarHBondContact O-N 3.34Å; T24-S27 VanDerWaalsContact O-CB 3.31Å; T24-S27 WeakPolarHBondContact O-CB 3.31Å; T24-S27 PolarHBondContact O-N 3.21Å
25	S	50.8	Low	57.1	Low	96 Å²	96	122.9 Å²	122.9	67%	0.671	66%	0.655	S	S	*	*	H	α-helix	trans	-61.4	-15.2	-179.5	61.9	0	0	0	0	115.3	S27	S25-S27 VanDerWaalsContact C-N 3.34Å
26	S	56.8	Low	59.3	Low	57 Å²	57	119 Å²	119	40%	0.399	63%	0.633	S	S	.	*	H	α-helix	trans	-74.2	-23.5	171.3	-169.3	0	0	0	0	113.2	T24 L30	T24-S26 PolarHBondContact O-N 3.34Å; S26-L30 WeakPolarHBondContact O-CB 3.48Å; S26-L30 WeakPolarHBondContact O-CD1 3.21Å; S26-L30 WeakPolarHBondContact O-CG 3.32Å; S26-L30 PolarHBondContact O-N 3.46Å; S26-L30 VanDerWaalsContact O-N 3.17Å
27	S	78.1	Confident	61.8	Low	73 Å²	73	115.3 Å²	115.3	51%	0.51	61%	0.613	S	S	.	*	H	α-helix	trans	-72.7	-53.4	179.6	-168.5	0	0	0	0	110.3	T24 S25 W29 L30 E31	T24-S27 VanDerWaalsContact O-CB 3.31Å; T24-S27 WeakPolarHBondContact O-CB 3.31Å; T24-S27 PolarHBondContact O-N 3.21Å; S25-S27 VanDerWaalsContact C-N 3.34Å; S27-W29 PolarHBondContact O-N 3.02Å; S27-L30 WeakPolarHBondContact O-CB 3.26Å; S27-L30 PolarHBondContact O-N 3.36Å; S27-E31 PolarHBondContact O-N 3.11Å
28	D	70.9	Confident	64.4	Low	113 Å²	113	112 Å²	112	60%	0.604	60%	0.598	S	S	*	*	H	α-helix	trans	-56.4	-37.2	178	-57.5	23.7	0	0	0	111.8	F32	D28-F32 VanDerWaalsContact O-CB 3.29Å; D28-F32 WeakPolarHBondContact O-CB 3.4Å; D28-F32 PolarHBondContact O-N 3.01Å
29	W	71.8	Confident	66.6	Low	159 Å²	159	110.4 Å²	110.4	60%	0.602	59%	0.586	S	S	*	*	H	α-helix	trans	-70.5	-42.5	176.1	-134.5	105.5	0	0	0	112.2	S27 E31 F32 Q33	S27-W29 PolarHBondContact O-N 3.02Å; W29-E31 VanDerWaalsContact C-N 3.33Å; W29-E31 PolarHBondContact O-N 3.08Å; W29-F32 PolarHBondContact O-N 3.22Å; W29-Q33 HydrophobicContact CE3-CB 4.03Å; W29-Q33 HydrophobicContact CZ3-CB 4Å; W29-Q33 HydrophobicContact CZ3-CG 4.22Å; W29-Q33 VanDerWaalsContact O-CB 3.24Å; W29-Q33 WeakPolarHBondContact O-CB 3.49Å; W29-Q33 PolarHBondContact O-N 3.21Å
30	L	82.5	Confident	69	Low	110 Å²	110	110.9 Å²	110.9	58%	0.576	57%	0.574	S	S	*	*	H	α-helix	trans	-63	-38.1	173.9	-86.4	164	0	0	0	112	S26 S27 Q33 R34	S26-L30 WeakPolarHBondContact O-CB 3.48Å; S26-L30 WeakPolarHBondContact O-CD1 3.21Å; S26-L30 WeakPolarHBondContact O-CG 3.32Å; S26-L30 PolarHBondContact O-N 3.46Å; S26-L30 VanDerWaalsContact O-N 3.17Å; S27-L30 WeakPolarHBondContact O-CB 3.26Å; S27-L30 PolarHBondContact O-N 3.36Å; L30-Q33 PolarHBondContact O-N 3.24Å; L30-R34 VanDerWaalsContact O-CB 3.28Å; L30-R34 WeakPolarHBondContact O-CB 3.4Å; L30-R34 PolarHBondContact O-N 3.26Å
31	E	80.5	Confident	71.4	Confident	121 Å²	121	108.9 Å²	108.9	57%	0.565	56%	0.564	S	S	*	*	H	α-helix	trans	-70.5	-43.4	176.8	-169.9	167	-131.3	0	0	111.7	S27 W29 Q33 R34 M35	S27-E31 PolarHBondContact O-N 3.11Å; W29-E31 VanDerWaalsContact C-N 3.33Å; W29-E31 PolarHBondContact O-N 3.08Å; E31-Q33 VanDerWaalsContact C-N 3.34Å; E31-Q33 PolarHBondContact O-N 3.21Å; E31-R34 PolarHBondContact O-N 3.38Å; E31-M35 HydrophobicContact CG-CE 4.33Å; E31-M35 WeakPolarHBondContact O-CG 3.4Å; E31-M35 PolarHBondContact O-N 3.08Å
32	F	80.1	Confident	73.7	Confident	121 Å²	121	106.5 Å²	106.5	53%	0.531	55%	0.55	S	S	.	*	H	α-helix	trans	-59.4	-43	171.1	175.5	-99	0	0	0	112.3	D28 W29 M35 S36	D28-F32 VanDerWaalsContact O-CB 3.29Å; D28-F32 WeakPolarHBondContact O-CB 3.4Å; D28-F32 PolarHBondContact O-N 3.01Å; W29-F32 PolarHBondContact O-N 3.22Å; F32-M35 PolarHBondContact O-N 3.47Å; F32-S36 WeakPolarHBondContact O-CB 3.34Å; F32-S36 PolarHBondContact O-N 3.31Å
33	Q	81.5	Confident	76	Confident	92 Å²	92	103 Å²	103	43%	0.43	54%	0.539	S	S	.	.	H	α-helix	trans	-65.8	-43.2	178.2	-170.3	167.8	2.3	0	0	111.3	W29 L30 E31 S36 D37	W29-Q33 HydrophobicContact CE3-CB 4.03Å; W29-Q33 HydrophobicContact CZ3-CB 4Å; W29-Q33 HydrophobicContact CZ3-CG 4.22Å; W29-Q33 VanDerWaalsContact O-CB 3.24Å; W29-Q33 WeakPolarHBondContact O-CB 3.49Å; W29-Q33 PolarHBondContact O-N 3.21Å; L30-Q33 PolarHBondContact O-N 3.24Å; E31-Q33 VanDerWaalsContact C-N 3.34Å; E31-Q33 PolarHBondContact O-N 3.21Å; Q33-S36 WeakPolarHBondContact O-CB 3.29Å; Q33-S36 PolarHBondContact O-N 3.14Å; Q33-D37 PolarHBondContact O-N 3.34Å
34	R	87.3	Confident	78.2	Confident	184 Å²	184	99.4 Å²	99.4	69%	0.694	53%	0.531	S	S	*	.	H	α-helix	trans	-58.5	-48.5	172.9	179.5	177.1	174.9	159.1	-0.3	111.9	L30 E31 S36 D37 E38	L30-R34 VanDerWaalsContact O-CB 3.28Å; L30-R34 WeakPolarHBondContact O-CB 3.4Å; L30-R34 PolarHBondContact O-N 3.26Å; E31-R34 PolarHBondContact O-N 3.38Å; R34-S36 VanDerWaalsContact C-N 3.31Å; R34-S36 PolarHBondContact O-N 3.45Å; R34-D37 PolarHBondContact O-N 3.32Å; R34-E38 WeakPolarHBondContact O-CB 3.24Å; R34-E38 PolarHBondContact O-N 2.88Å
35	M	83.5	Confident	80.2	Confident	102 Å²	102	95.9 Å²	95.9	50%	0.502	52%	0.516	S	S	.	.	H	α-helix	trans	-61.1	-39.2	174.9	-73.8	-170.9	-71	0	0	112	E31 F32 D37 E38 V39	E31-M35 HydrophobicContact CG-CE 4.33Å; E31-M35 WeakPolarHBondContact O-CG 3.4Å; E31-M35 PolarHBondContact O-N 3.08Å; F32-M35 PolarHBondContact O-N 3.47Å; M35-D37 PolarHBondContact O-N 3Å; M35-E38 PolarHBondContact O-N 2.68Å; M35-V39 WeakPolarHBondContact O-CB 3.24Å; M35-V39 VanDerWaalsContact O-CG2 3.31Å; M35-V39 WeakPolarHBondContact O-CG2 3.26Å; M35-V39 PolarHBondContact O-N 2.69Å
36	S	83	Confident	81.6	Confident	45 Å²	45	95.3 Å²	95.3	32%	0.315	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-41.7	177.4	-167.6	0	0	0	0	112.2	F32 Q33 R34 K40	F32-S36 WeakPolarHBondContact O-CB 3.34Å; F32-S36 PolarHBondContact O-N 3.31Å; Q33-S36 WeakPolarHBondContact O-CB 3.29Å; Q33-S36 PolarHBondContact O-N 3.14Å; R34-S36 VanDerWaalsContact C-N 3.31Å; R34-S36 PolarHBondContact O-N 3.45Å; S36-K40 VanDerWaalsContact O-CG 3.32Å; S36-K40 WeakPolarHBondContact O-CG 3.5Å; S36-K40 PolarHBondContact O-N 2.93Å
37	D	88.3	Confident	82.7	Confident	76 Å²	76	98.7 Å²	98.7	41%	0.406	52%	0.518	S	S	.	.	H	α-helix	trans	-76	-31.7	177.9	-70.8	-28.6	0	0	0	112.6	Q33 R34 M35 K40 A41	Q33-D37 PolarHBondContact O-N 3.34Å; R34-D37 PolarHBondContact O-N 3.32Å; M35-D37 PolarHBondContact O-N 3Å; D37-K40 PolarHBondContact O-N 3.48Å; D37-K40 WeakPolarHBondContact OD1-CD 3.32Å; D37-K40 IonicContact OD1-NZ 3.66Å; D37-K40 PolarHBondContact OD1-NZ 3.12Å; D37-A41 WeakPolarHBondContact O-CB 3.48Å; D37-A41 PolarHBondContact O-N 2.93Å
38	E	88.3	Confident	83.1	Confident	116 Å²	116	101.3 Å²	101.3	54%	0.542	52%	0.52	S	S	.	.	H	α-helix	trans	-66.3	-39.2	171.4	-173.8	160.3	-147.6	0	0	112.1	R34 M35 A41 T42	R34-E38 WeakPolarHBondContact O-CB 3.24Å; R34-E38 PolarHBondContact O-N 2.88Å; M35-E38 PolarHBondContact O-N 2.68Å; E38-A41 PolarHBondContact O-N 2.86Å; E38-T42 WeakPolarHBondContact O-CB 3.47Å; E38-T42 PolarHBondContact O-N 2.96Å; E38-T42 PolarHBondContact O-OG1 2.92Å
39	V	83.1	Confident	83.6	Confident	92 Å²	92	102.7 Å²	102.7	56%	0.558	52%	0.521	S	S	*	.	H	α-helix	trans	-64.8	-43.2	170.9	169.8	0	0	0	0	111.2	M35 T42 V43	M35-V39 WeakPolarHBondContact O-CB 3.24Å; M35-V39 VanDerWaalsContact O-CG2 3.31Å; M35-V39 WeakPolarHBondContact O-CG2 3.26Å; M35-V39 PolarHBondContact O-N 2.69Å; V39-T42 PolarHBondContact O-N 2.9Å; V39-V43 WeakPolarHBondContact O-CG2 3.23Å; V39-V43 PolarHBondContact O-N 3.12Å
40	K	84.9	Confident	83.9	Confident	118 Å²	118	99.8 Å²	99.8	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-61.6	-43.9	174.3	-71.4	168.5	-151.4	156.5	0	112	S36 D37 T42 V43 S44	S36-K40 VanDerWaalsContact O-CG 3.32Å; S36-K40 WeakPolarHBondContact O-CG 3.5Å; S36-K40 PolarHBondContact O-N 2.93Å; D37-K40 PolarHBondContact O-N 3.48Å; D37-K40 WeakPolarHBondContact OD1-CD 3.32Å; D37-K40 IonicContact OD1-NZ 3.66Å; D37-K40 PolarHBondContact OD1-NZ 3.12Å; K40-T42 VanDerWaalsContact C-N 3.33Å; K40-V43 PolarHBondContact O-N 3.48Å; K40-S44 WeakPolarHBondContact O-CB 3.35Å; K40-S44 PolarHBondContact O-N 3.47Å
41	A	89.3	Confident	83.7	Confident	65 Å²	65	101.4 Å²	101.4	54%	0.537	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-41.8	177.1	0	0	0	0	0	111.2	D37 E38 S44 G45	D37-A41 WeakPolarHBondContact O-CB 3.48Å; D37-A41 PolarHBondContact O-N 2.93Å; E38-A41 PolarHBondContact O-N 2.86Å; A41-S44 PolarHBondContact O-N 3.21Å; A41-G45 PolarHBondContact O-N 2.63Å
42	T	86.6	Confident	83.7	Confident	84 Å²	84	100.1 Å²	100.1	52%	0.515	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-46.8	175.9	-57.9	0	0	0	0	111.6	E38 V39 K40 G45 T46	E38-T42 WeakPolarHBondContact O-CB 3.47Å; E38-T42 PolarHBondContact O-N 2.96Å; E38-T42 PolarHBondContact O-OG1 2.92Å; V39-T42 PolarHBondContact O-N 2.9Å; K40-T42 VanDerWaalsContact C-N 3.33Å; T42-G45 PolarHBondContact O-N 2.94Å; T42-T46 PolarHBondContact O-N 2.8Å; T42-T46 PolarHBondContact O-OG1 2.85Å
43	V	84.3	Confident	83.3	Confident	81 Å²	81	99.2 Å²	99.2	49%	0.491	51%	0.513	S	S	.	.	H	α-helix	trans	-64.9	-38.8	176.8	171.6	0	0	0	0	111.8	V39 K40 T46 Q47	V39-V43 WeakPolarHBondContact O-CG2 3.23Å; V39-V43 PolarHBondContact O-N 3.12Å; K40-V43 PolarHBondContact O-N 3.48Å; V43-T46 PolarHBondContact O-OG1 3Å; V43-T46 VanDerWaalsContact O-OG1 3.11Å; V43-Q47 VanDerWaalsContact O-CB 3.23Å; V43-Q47 WeakPolarHBondContact O-CB 3.33Å; V43-Q47 PolarHBondContact O-N 3.33Å
44	S	84.2	Confident	82.8	Confident	74 Å²	74	100.9 Å²	100.9	52%	0.517	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-40.7	173.6	-171.8	0	0	0	0	111.6	K40 A41 Q47 K48	K40-S44 WeakPolarHBondContact O-CB 3.35Å; K40-S44 PolarHBondContact O-N 3.47Å; A41-S44 PolarHBondContact O-N 3.21Å; S44-Q47 PolarHBondContact O-N 2.6Å; S44-K48 WeakPolarHBondContact O-CB 3.48Å; S44-K48 PolarHBondContact O-N 3.22Å
45	G	88.1	Confident	82.2	Confident	34 Å²	34	96.5 Å²	96.5	35%	0.351	52%	0.524	S	S	.	.	H	α-helix	trans	-65.2	-43.1	176.4	0	0	0	0	0	113.4	A41 T42 K48 K49	A41-G45 PolarHBondContact O-N 2.63Å; T42-G45 PolarHBondContact O-N 2.94Å; G45-K48 PolarHBondContact O-N 2.8Å; G45-K49 WeakPolarHBondContact O-CB 3.25Å; G45-K49 WeakPolarHBondContact O-CG 3.48Å; G45-K49 PolarHBondContact O-N 3.47Å
46	T	81.8	Confident	81.6	Confident	84 Å²	84	95.5 Å²	95.5	52%	0.515	53%	0.527	S	S	.	.	H	α-helix	trans	-69.1	-38.1	174.7	55.3	0	0	0	0	111.7	T42 V43 K49 L50	T42-T46 PolarHBondContact O-N 2.8Å; T42-T46 PolarHBondContact O-OG1 2.85Å; V43-T46 PolarHBondContact O-OG1 3Å; V43-T46 VanDerWaalsContact O-OG1 3.11Å; T46-K49 PolarHBondContact O-N 2.86Å; T46-L50 WeakPolarHBondContact O-CB 3.47Å; T46-L50 PolarHBondContact O-N 2.93Å
47	Q	79.6	Confident	79.9	Confident	129 Å²	129	96.7 Å²	96.7	60%	0.603	54%	0.536	S	S	*	.	H	α-helix	trans	-70	-30.5	176.4	-163.2	169.5	32.1	0	0	112.8	V43 S44 K51	V43-Q47 VanDerWaalsContact O-CB 3.23Å; V43-Q47 WeakPolarHBondContact O-CB 3.33Å; V43-Q47 PolarHBondContact O-N 3.33Å; S44-Q47 PolarHBondContact O-N 2.6Å; Q47-K51 PolarHBondContact O-N 2.82Å
48	K	85.6	Confident	77.6	Confident	128 Å²	128	97.3 Å²	97.3	56%	0.557	55%	0.551	S	S	*	*	H	α-helix	trans	-69.8	-46.4	169.2	-172.9	171.9	-176.1	-77.3	0	111.4	S44 G45 L50 K51 E52	S44-K48 WeakPolarHBondContact O-CB 3.48Å; S44-K48 PolarHBondContact O-N 3.22Å; G45-K48 PolarHBondContact O-N 2.8Å; K48-L50 VanDerWaalsContact C-N 3.27Å; K48-L50 PolarHBondContact O-N 3.06Å; K48-K51 PolarHBondContact O-N 3.36Å; K48-E52 IonicContact NZ-OE1 2.68Å; K48-E52 PolarHBondContact NZ-OE1 3.19Å; K48-E52 WeakPolarHBondContact O-CG 3.46Å; K48-E52 PolarHBondContact O-N 2.88Å
49	K	82.6	Confident	75.2	Confident	142 Å²	142	99.7 Å²	99.7	62%	0.617	57%	0.567	S	S	*	*	H	α-helix	trans	-59.7	-35.4	173.4	-81.3	-173.8	173.3	-175.1	0	112.7	G45 T46 E52 L53	G45-K49 WeakPolarHBondContact O-CB 3.25Å; G45-K49 WeakPolarHBondContact O-CG 3.48Å; G45-K49 PolarHBondContact O-N 3.47Å; T46-K49 PolarHBondContact O-N 2.86Å; K49-E52 PolarHBondContact O-N 3.36Å; K49-L53 WeakPolarHBondContact O-CB 3.41Å; K49-L53 WeakPolarHBondContact O-CG 3.37Å; K49-L53 PolarHBondContact O-N 2.64Å
50	L	76.6	Confident	73	Confident	98 Å²	98	106.1 Å²	106.1	51%	0.513	58%	0.581	S	S	.	*	H	α-helix	trans	-64.4	-46.1	175.6	-170.8	67.3	0	0	0	110.8	T46 K48 E52 L53 E54	T46-L50 WeakPolarHBondContact O-CB 3.47Å; T46-L50 PolarHBondContact O-N 2.93Å; K48-L50 VanDerWaalsContact C-N 3.27Å; K48-L50 PolarHBondContact O-N 3.06Å; L50-E52 VanDerWaalsContact C-N 3.34Å; L50-E52 PolarHBondContact O-N 2.95Å; L50-L53 CarbonylContact O-C 3.6Å; L50-L53 PolarHBondContact O-N 3.34Å; L50-E54 VanDerWaalsContact O-CG 3.32Å; L50-E54 WeakPolarHBondContact O-CG 3.34Å; L50-E54 PolarHBondContact O-N 3.23Å
51	K	78.8	Confident	70.6	Confident	144 Å²	144	110.3 Å²	110.3	63%	0.626	60%	0.599	S	S	*	*	H	α-helix	trans	-64.2	-35.1	173.2	-79.9	-171.2	169.5	-172.6	0	113.8	Q47 K48 A55	Q47-K51 PolarHBondContact O-N 2.82Å; K48-K51 PolarHBondContact O-N 3.36Å; K51-A55 VanDerWaalsContact O-CB 3.26Å; K51-A55 WeakPolarHBondContact O-CB 3.49Å; K51-A55 PolarHBondContact O-N 3.46Å
52	E	80.5	Confident	68.2	Low	93 Å²	93	114.5 Å²	114.5	44%	0.435	61%	0.611	S	S	.	*	H	α-helix	trans	-69.5	-35.3	174.8	-73.1	169.4	168.2	0	0	111.3	K48 K49 L50 S56	K48-E52 IonicContact NZ-OE1 2.68Å; K48-E52 PolarHBondContact NZ-OE1 3.19Å; K48-E52 WeakPolarHBondContact O-CG 3.46Å; K48-E52 PolarHBondContact O-N 2.88Å; K49-E52 PolarHBondContact O-N 3.36Å; L50-E52 VanDerWaalsContact C-N 3.34Å; L50-E52 PolarHBondContact O-N 2.95Å; E52-S56 VanDerWaalsContact O-CB 3.26Å; E52-S56 WeakPolarHBondContact O-CB 3.49Å; E52-S56 PolarHBondContact O-N 3.24Å; E52-S56 PolarHBondContact O-OG 2.8Å
53	L	71.7	Confident	65.8	Low	103 Å²	103	115.4 Å²	115.4	54%	0.539	62%	0.618	S	S	.	*	H	α-helix	trans	-68.6	-44.9	170.4	-79.6	163.8	0	0	0	112	K49 L50 A55 S56 S57	K49-L53 WeakPolarHBondContact O-CB 3.41Å; K49-L53 WeakPolarHBondContact O-CG 3.37Å; K49-L53 PolarHBondContact O-N 2.64Å; L50-L53 CarbonylContact O-C 3.6Å; L50-L53 PolarHBondContact O-N 3.34Å; L53-A55 VanDerWaalsContact C-N 3.26Å; L53-A55 PolarHBondContact O-N 3.31Å; L53-S56 PolarHBondContact O-N 3.27Å; L53-S57 VanDerWaalsContact O-CB 3.24Å; L53-S57 WeakPolarHBondContact O-CB 3.38Å; L53-S57 PolarHBondContact O-N 2.64Å; L53-S57 PolarHBondContact O-OG 3.41Å
54	E	71	Confident	63.6	Low	126 Å²	126	120.3 Å²	120.3	59%	0.589	64%	0.636	S	S	*	*	H	α-helix	trans	-56.7	-40.2	172.9	-72.6	168.2	168.2	0	0	111.4	L50	L50-E54 VanDerWaalsContact O-CG 3.32Å; L50-E54 WeakPolarHBondContact O-CG 3.34Å; L50-E54 PolarHBondContact O-N 3.23Å
55	A	74.7	Confident	61.3	Low	92 Å²	92	125 Å²	125	76%	0.76	65%	0.647	S	S	*	*	H	α-helix	trans	-80.8	-18.8	179.2	0	0	0	0	0	115.1	K51 L53	K51-A55 VanDerWaalsContact O-CB 3.26Å; K51-A55 WeakPolarHBondContact O-CB 3.49Å; K51-A55 PolarHBondContact O-N 3.46Å; L53-A55 VanDerWaalsContact C-N 3.26Å; L53-A55 PolarHBondContact O-N 3.31Å
56	S	71.8	Confident	58.8	Low	81 Å²	81	128.6 Å²	128.6	57%	0.566	66%	0.664	S	S	*	*	H	α-helix	trans	-107.5	-6.1	178.6	59.7	0	0	0	0	114	E52 L53 A58	E52-S56 VanDerWaalsContact O-CB 3.26Å; E52-S56 WeakPolarHBondContact O-CB 3.49Å; E52-S56 PolarHBondContact O-N 3.24Å; E52-S56 PolarHBondContact O-OG 2.8Å; L53-S56 PolarHBondContact O-N 3.27Å; S56-A58 PolarHBondContact O-N 2.82Å
57	S	46.6	Very low	56.8	Low	71 Å²	71	134.7 Å²	134.7	50%	0.497	68%	0.679	S	S	.	*			trans	-65.1	97.1	173.6	-72	0	0	0	0	109.8	L53 L59	L53-S57 VanDerWaalsContact O-CB 3.24Å; L53-S57 WeakPolarHBondContact O-CB 3.38Å; L53-S57 PolarHBondContact O-N 2.64Å; L53-S57 PolarHBondContact O-OG 3.41Å; S57-L59 PolarHBondContact O-N 2.94Å
58	A	38.9	Very low	54.8	Low	89 Å²	89	137.2 Å²	137.2	74%	0.736	69%	0.691	S	S	*	*			trans	-72.6	36	-179.3	0	0	0	0	0	113.9	S56 R60	S56-A58 PolarHBondContact O-N 2.82Å; A58-R60 PolarHBondContact O-N 3.39Å
59	L	38.8	Very low	52.7	Low	165 Å²	165	137.2 Å²	137.2	86%	0.864	70%	0.702	S	S	*	*			trans	-65.4	105.1	165.2	-84.6	169.3	0	0	0	107.7	S57	S57-L59 PolarHBondContact O-N 2.94Å
60	R	36.3	Very low	50.5	Low	227 Å²	227	135.8 Å²	135.8	86%	0.857	70%	0.701	S	S	*	*			trans	-64.9	145.6	-169.8	-63.2	175	178.7	168.4	-1.3	110.8	A58 I62	A58-R60 PolarHBondContact O-N 3.39Å; R60-I62 PolarHBondContact O-N 3.48Å; R60-I62 VanDerWaalsContact O-N 3.12Å
61	F	34.7	Very low	48.5	Very low	206 Å²	206	137 Å²	137	90%	0.904	72%	0.715	S	S	*	*			trans	-45.4	117.2	168.2	-81.4	-107.2	0	0	0	110.9
62	I	38.8	Very low	46.8	Very low	154 Å²	154	134.2 Å²	134.2	79%	0.79	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-85.4	122.7	155.4	-61.2	178.3	0	0	0	105.5	R60 E64	R60-I62 PolarHBondContact O-N 3.48Å; R60-I62 VanDerWaalsContact O-N 3.12Å; I62-E64 PolarHBondContact O-N 2.84Å
63	P	35.6	Very low	45	Very low	102 Å²	102	133.6 Å²	133.6	66%	0.662	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-63.6	134.7	-178.4	-23.4	34.2	0	0	0	112.4	K65	P63-K65 PolarHBondContact O-N 3.35Å
64	E	38.5	Very low	43.6	Very low	184 Å²	184	132.7 Å²	132.7	86%	0.86	73%	0.728	S	S	*	*	S	Bend	trans	-66.5	124.8	164.3	-64.4	-175.7	164.2	0	0	109.1	I62	I62-E64 PolarHBondContact O-N 2.84Å
65	K	36.5	Very low	42.2	Very low	172 Å²	172	129.4 Å²	129.4	75%	0.748	72%	0.723	S	S	*	*			trans	74.3	115.8	-179.1	-46.2	169.3	-173	175.3	0	116.2	P63	P63-K65 PolarHBondContact O-N 3.35Å
66	P	35.8	Very low	40.8	Very low	110 Å²	110	129.9 Å²	129.9	71%	0.714	72%	0.72	S	S	*	*			trans	-126.1	36.3	158.5	40.3	-29.1	0	0	0	113.4
67	Y	40.4	Very low	39.3	Very low	212 Å²	212	134.7 Å²	134.7	83%	0.831	73%	0.728	S	S	*	*			trans	-137.7	72.4	172	-70.6	-68.4	0	0	0	111.5
68	E	37.5	Very low	39.3	Very low	183 Å²	183	136.4 Å²	136.4	86%	0.855	73%	0.73	S	S	*	*			trans	-89.6	110.4	163.2	-68.8	-170	145.3	0	0	109.4
69	T	40.6	Very low	39.6	Very low	127 Å²	127	139.2 Å²	139.2	78%	0.779	73%	0.729	S	S	*	*			trans	-134.1	111.4	169.2	51.9	0	0	0	0	110.4
70	D	36.1	Very low	39.8	Very low	113 Å²	113	135 Å²	135	60%	0.604	72%	0.717	S	S	*	*			trans	56.6	96.5	169.7	-153.1	-21.5	0	0	0	117.9	A72	D70-A72 PolarHBondContact O-N 3.04Å; D70-A72 VanDerWaalsContact OD1-CB 3.31Å; D70-A72 WeakPolarHBondContact OD1-CB 3.34Å; D70-A72 PolarHBondContact OD1-N 3.47Å; D70-A72 VanDerWaalsContact OD1-N 3.08Å
71	P	35.7	Very low	40.4	Very low	124 Å²	124	129.9 Å²	129.9	81%	0.805	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	0.2	178.9	32.9	-35.9	0	0	0	114.6
72	A	42	Very low	40.6	Very low	85 Å²	85	128.4 Å²	128.4	70%	0.702	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-21.8	-176.9	0	0	0	0	0	114.4	D70	D70-A72 PolarHBondContact O-N 3.04Å; D70-A72 VanDerWaalsContact OD1-CB 3.31Å; D70-A72 WeakPolarHBondContact OD1-CB 3.34Å; D70-A72 PolarHBondContact OD1-N 3.47Å; D70-A72 VanDerWaalsContact OD1-N 3.08Å
73	A	43.2	Very low	40.7	Very low	80 Å²	80	125.6 Å²	125.6	66%	0.661	70%	0.696	S	S	*	*	S	Bend	trans	-92.6	-26.6	-170.7	0	0	0	0	0	115.1
74	T	42.8	Very low	41	Very low	83 Å²	83	129.5 Å²	129.5	51%	0.509	71%	0.705	S	S	.	*	S	Bend	trans	-82.1	-24.5	-166.1	-30.8	0	0	0	0	114.4	S76 Y77 L78	T74-S76 PolarHBondContact O-N 2.95Å; T74-Y77 PolarHBondContact O-N 3.34Å; T74-L78 HydrophobicContact CG2-CD1 4.15Å
75	A	40.7	Very low	41.2	Very low	57 Å²	57	128.2 Å²	128.2	47%	0.471	70%	0.704	S	S	.	*	H	α-helix	trans	-57.3	-46.3	-175	0	0	0	0	0	112.7	Y77 L78 E79	A75-Y77 PolarHBondContact O-N 2.85Å; A75-L78 PolarHBondContact O-N 3.45Å; A75-E79 PolarHBondContact O-N 3.18Å
76	S	45.1	Very low	41.5	Very low	102 Å²	102	127.2 Å²	127.2	71%	0.713	71%	0.707	S	S	*	*	H	α-helix	trans	-66.8	-5.6	-177.2	-172.8	0	0	0	0	115	T74	T74-S76 PolarHBondContact O-N 2.95Å
77	Y	41.1	Very low	42.2	Very low	183 Å²	183	130.4 Å²	130.4	72%	0.718	71%	0.712	S	S	*	*	H	α-helix	trans	-111.7	-12.1	179.3	-147	-91.9	0	0	0	113.4	T74 A75	T74-Y77 PolarHBondContact O-N 3.34Å; A75-Y77 PolarHBondContact O-N 2.85Å
78	L	47.1	Very low	42.7	Very low	106 Å²	106	127 Å²	127	56%	0.555	71%	0.709	S	S	*	*	H	α-helix	trans	-97.2	-39	177.2	-70.3	171	0	0	0	111.9	T74 A75 A80 I81	T74-L78 HydrophobicContact CG2-CD1 4.15Å; A75-L78 PolarHBondContact O-N 3.45Å; L78-A80 PolarHBondContact O-N 2.82Å; L78-A80 VanDerWaalsContact O-N 3.11Å; L78-I81 PolarHBondContact O-N 2.63Å
79	E	44.1	Very low	43	Very low	149 Å²	149	128.9 Å²	128.9	70%	0.696	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-19.5	174.1	-66.3	-176.8	155.3	0	0	112.9	A75 I81	A75-E79 PolarHBondContact O-N 3.18Å; E79-I81 VanDerWaalsContact C-N 3.29Å; E79-I81 PolarHBondContact O-N 3.18Å
80	A	44	Very low	43.6	Very low	76 Å²	76	127.8 Å²	127.8	63%	0.628	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-2	175.2	0	0	0	0	0	114.5	L78	L78-A80 PolarHBondContact O-N 2.82Å; L78-A80 VanDerWaalsContact O-N 3.11Å
81	I	47.6	Very low	44.4	Very low	119 Å²	119	126.8 Å²	126.8	61%	0.61	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	-12.5	-176.3	-60.4	176.7	0	0	0	111.6	L78 E79 S83	L78-I81 PolarHBondContact O-N 2.63Å; E79-I81 VanDerWaalsContact C-N 3.29Å; E79-I81 PolarHBondContact O-N 3.18Å; I81-S83 PolarHBondContact O-N 2.9Å; I81-S83 VanDerWaalsContact O-N 3.08Å
82	E	40.1	Very low	44.5	Very low	176 Å²	176	130.6 Å²	130.6	82%	0.822	71%	0.712	S	S	*	*	S	Bend	trans	-81.9	24	-175.3	-58.5	-157.1	131.4	0	0	115.1
83	S	41.3	Very low	45.6	Very low	95 Å²	95	130.7 Å²	130.7	66%	0.664	70%	0.696	S	S	*	*	S	Bend	trans	-138.1	49.9	-174.6	74.7	0	0	0	0	116.2	I81	I81-S83 PolarHBondContact O-N 2.9Å; I81-S83 VanDerWaalsContact O-N 3.08Å
84	E	41.9	Very low	47.1	Very low	184 Å²	184	130.7 Å²	130.7	86%	0.86	69%	0.69	S	S	*	*	S	Bend	trans	-162.9	162.5	152.3	-111.4	155.2	-160.9	0	0	112.3
85	D	42.4	Very low	48.4	Very low	156 Å²	156	132.8 Å²	132.8	83%	0.834	70%	0.697	S	S	*	*			trans	47.8	68.4	171.7	-68.6	-9.7	0	0	0	120.1	Q87	D85-Q87 VanDerWaalsContact C-N 3.35Å; D85-Q87 PolarHBondContact O-N 3.1Å
86	N	41.9	Very low	49.9	Very low	152 Å²	152	137.1 Å²	137.1	81%	0.813	71%	0.705	S	S	*	*			trans	-88.6	49.5	173.6	-159.9	5.5	0	0	0	113.9
87	Q	50.6	Low	51.4	Low	176 Å²	176	135.7 Å²	135.7	82%	0.822	69%	0.689	S	S	*	*	S	Bend	trans	-126.1	-37.8	178.9	-77.6	-171.7	-26.3	0	0	115.6	D85 R89	D85-Q87 VanDerWaalsContact C-N 3.35Å; D85-Q87 PolarHBondContact O-N 3.1Å; Q87-R89 VanDerWaalsContact C-N 3.27Å; Q87-R89 PolarHBondContact O-N 3.47Å
88	D	51.1	Low	53.1	Low	142 Å²	142	131.6 Å²	131.6	76%	0.759	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-74.5	-10.2	-174	-89.4	-20.9	0	0	0	115.2	A90 S91	D88-A90 PolarHBondContact O-N 3.29Å; D88-A90 VanDerWaalsContact O-N 3.14Å; D88-S91 PolarHBondContact O-OG 2.7Å
89	R	44.7	Very low	54.3	Low	222 Å²	222	131 Å²	131	84%	0.838	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-72.6	-6.4	-173.2	-158.5	165.7	-179.3	158.3	-0.8	114.5	Q87	Q87-R89 VanDerWaalsContact C-N 3.27Å; Q87-R89 PolarHBondContact O-N 3.47Å
90	A	52.3	Low	55.9	Low	103 Å²	103	128 Å²	128	85%	0.851	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-82.5	-10.3	-176.9	0	0	0	0	0	115.4	D88	D88-A90 PolarHBondContact O-N 3.29Å; D88-A90 VanDerWaalsContact O-N 3.14Å
91	S	53.1	Low	57.6	Low	93 Å²	93	129.3 Å²	129.3	65%	0.65	66%	0.655	S	S	*	*	S	Bend	trans	-107.5	-9.5	-172.2	64.2	0	0	0	0	115.2	D88 K93	D88-S91 PolarHBondContact O-OG 2.7Å; S91-K93 PolarHBondContact O-N 3.38Å
92	W	37.4	Very low	58.9	Low	203 Å²	203	127 Å²	127	77%	0.769	64%	0.642	S	S	*	*			trans	-74.9	109.6	-173	-99	85.9	0	0	0	113.2
93	K	65.9	Low	60.6	Low	87 Å²	87	122.6 Å²	122.6	38%	0.378	62%	0.623	S	S	.	*			trans	-88.2	143	164.9	-67.3	-173.7	-172.8	171.8	0	111.3	S91 D97 Q98 E101	S91-K93 PolarHBondContact O-N 3.38Å; K93-D97 HydrophobicContact CB-CB 4.25Å; K93-D97 HydrophobicContact CD-CB 4.31Å; K93-Q98 HydrophobicContact CB-CG 4.22Å; K93-Q98 PolarHBondContact O-NE2 2.83Å; K93-E101 IonicContact NZ-OE1 2.99Å; K93-E101 PolarHBondContact NZ-OE1 3.21Å; K93-E101 IonicContact NZ-OE2 3.4Å; K93-E101 PolarHBondContact NZ-OE2 2.89Å
94	P	75.2	Confident	62.5	Low	81 Å²	81	124.5 Å²	124.5	53%	0.526	62%	0.619	S	S	.	*			trans	-50.7	147.3	166.2	-26.3	34.5	0	0	0	112.8	K96 D97 Q98	P94-K96 PolarHBondContact O-N 3.24Å; P94-K96 VanDerWaalsContact O-N 3.12Å; P94-D97 WeakPolarHBondContact CD-OD2 3.23Å; P94-D97 PolarHBondContact O-N 3.44Å; P94-Q98 PolarHBondContact O-N 3.34Å
95	I	68.9	Low	64.3	Low	127 Å²	127	121.1 Å²	121.1	65%	0.651	60%	0.602	S	S	*	*	H	α-helix	trans	-55.7	-34	-178.3	-63.9	172.2	0	0	0	111.8	D97 Q98 L99	I95-D97 PolarHBondContact O-N 3.4Å; I95-Q98 PolarHBondContact O-N 2.91Å; I95-L99 WeakPolarHBondContact O-CB 3.44Å; I95-L99 PolarHBondContact O-N 2.87Å
96	K	72.3	Confident	65.7	Low	148 Å²	148	118.4 Å²	118.4	64%	0.643	58%	0.584	S	S	*	*	H	α-helix	trans	-58.2	-46.6	175.5	-177.6	172.5	-179.5	172.7	0	112.6	P94 Q98 L99 D100	P94-K96 PolarHBondContact O-N 3.24Å; P94-K96 VanDerWaalsContact O-N 3.12Å; K96-Q98 VanDerWaalsContact C-N 3.3Å; K96-Q98 PolarHBondContact O-N 2.81Å; K96-L99 PolarHBondContact O-N 2.65Å; K96-D100 PolarHBondContact O-N 2.83Å
97	D	77.7	Confident	67.1	Low	72 Å²	72	119.7 Å²	119.7	39%	0.385	58%	0.578	S	S	.	*	H	α-helix	trans	-68.8	-33.9	-178.2	-59.3	-9	0	0	0	110.9	K93 P94 I95 E101	K93-D97 HydrophobicContact CB-CB 4.25Å; K93-D97 HydrophobicContact CD-CB 4.31Å; P94-D97 WeakPolarHBondContact CD-OD2 3.23Å; P94-D97 PolarHBondContact O-N 3.44Å; I95-D97 PolarHBondContact O-N 3.4Å; D97-E101 WeakPolarHBondContact O-CB 3.32Å; D97-E101 WeakPolarHBondContact O-CG 3.27Å; D97-E101 PolarHBondContact O-N 2.86Å
98	Q	75.8	Confident	68.2	Low	96 Å²	96	114.7 Å²	114.7	45%	0.449	56%	0.557	S	S	.	*	H	α-helix	trans	-65.4	-41.2	173.2	-57	-178.8	29	0	0	111.4	K93 P94 I95 K96 E101 E102	K93-Q98 HydrophobicContact CB-CG 4.22Å; K93-Q98 PolarHBondContact O-NE2 2.83Å; P94-Q98 PolarHBondContact O-N 3.34Å; I95-Q98 PolarHBondContact O-N 2.91Å; K96-Q98 VanDerWaalsContact C-N 3.3Å; K96-Q98 PolarHBondContact O-N 2.81Å; Q98-E101 PolarHBondContact O-N 3.11Å; Q98-E102 PolarHBondContact O-N 3.28Å
99	L	72.1	Confident	69.2	Low	94 Å²	94	113.9 Å²	113.9	49%	0.492	55%	0.552	S	S	.	*	H	α-helix	trans	-67.6	-43.9	176.3	-175.3	65.2	0	0	0	111.6	I95 K96 E101 E102 I103	I95-L99 WeakPolarHBondContact O-CB 3.44Å; I95-L99 PolarHBondContact O-N 2.87Å; K96-L99 PolarHBondContact O-N 2.65Å; L99-E101 VanDerWaalsContact C-N 3.33Å; L99-E101 PolarHBondContact O-N 2.95Å; L99-E102 PolarHBondContact O-N 3.43Å; L99-I103 HydrophobicContact CD1-CD1 4.27Å; L99-I103 HydrophobicContact CG-CD1 3.89Å; L99-I103 WeakPolarHBondContact O-CB 3.33Å; L99-I103 VanDerWaalsContact O-CG1 3.23Å; L99-I103 WeakPolarHBondContact O-CG1 3.31Å; L99-I103 PolarHBondContact O-N 3.06Å
100	D	78.1	Confident	70.1	Confident	85 Å²	85	110 Å²	110	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-64.6	-35	175.7	-82.1	-33.7	0	0	0	111.8	K96 K104	K96-D100 PolarHBondContact O-N 2.83Å; D100-K104 WeakPolarHBondContact O-CB 3.17Å; D100-K104 PolarHBondContact O-N 3.39Å
101	E	80.1	Confident	70	Confident	105 Å²	105	111 Å²	111	49%	0.491	53%	0.532	S	S	.	.	H	α-helix	trans	-69.2	-41.7	172.8	-78.6	-173.1	155.4	0	0	113.1	K93 D97 Q98 L99 K104 K105	K93-E101 IonicContact NZ-OE1 2.99Å; K93-E101 PolarHBondContact NZ-OE1 3.21Å; K93-E101 IonicContact NZ-OE2 3.4Å; K93-E101 PolarHBondContact NZ-OE2 2.89Å; D97-E101 WeakPolarHBondContact O-CB 3.32Å; D97-E101 WeakPolarHBondContact O-CG 3.27Å; D97-E101 PolarHBondContact O-N 2.86Å; Q98-E101 PolarHBondContact O-N 3.11Å; L99-E101 VanDerWaalsContact C-N 3.33Å; L99-E101 PolarHBondContact O-N 2.95Å; E101-K104 PolarHBondContact O-N 3.09Å; E101-K105 VanDerWaalsContact O-CB 3.29Å; E101-K105 WeakPolarHBondContact O-CB 3.27Å; E101-K105 PolarHBondContact O-N 3.36Å
102	E	74.8	Confident	69.4	Low	71 Å²	71	112.4 Å²	112.4	33%	0.332	54%	0.539	S	S	.	.	H	α-helix	trans	-68.9	-41.4	174.7	-171	62.1	-142.4	0	0	111.3	Q98 L99 K104 K105 Q106	Q98-E102 PolarHBondContact O-N 3.28Å; L99-E102 PolarHBondContact O-N 3.43Å; E102-K104 VanDerWaalsContact C-N 3.31Å; E102-K104 PolarHBondContact O-N 3.11Å; E102-K105 VanDerWaalsContact CD-NZ 3.28Å; E102-K105 WeakPolarHBondContact O-CB 3.37Å; E102-K105 PolarHBondContact O-N 3.32Å; E102-K105 IonicContact OE1-NZ 3.64Å; E102-K105 PolarHBondContact OE1-NZ 3.25Å; E102-K105 VanDerWaalsContact OE1-NZ 3.1Å; E102-K105 WeakPolarHBondContact OE2-CD 3.43Å; E102-K105 IonicContact OE2-NZ 2.75Å; E102-K105 PolarHBondContact OE2-NZ 3.25Å; E102-Q106 HydrophobicContact CG-CG 4.42Å; E102-Q106 VanDerWaalsContact O-CG 3.25Å; E102-Q106 WeakPolarHBondContact O-CG 3.49Å; E102-Q106 PolarHBondContact O-N 3.39Å; E102-Q106 PolarHBondContact OE1-NE2 3.25Å
103	I	75.7	Confident	69.8	Low	83 Å²	83	112.7 Å²	112.7	43%	0.426	55%	0.546	S	S	.	.	H	α-helix	trans	-57.6	-44.8	173	-73.4	169.3	0	0	0	110.5	L99 Q106 R107	L99-I103 HydrophobicContact CD1-CD1 4.27Å; L99-I103 HydrophobicContact CG-CD1 3.89Å; L99-I103 WeakPolarHBondContact O-CB 3.33Å; L99-I103 VanDerWaalsContact O-CG1 3.23Å; L99-I103 WeakPolarHBondContact O-CG1 3.31Å; L99-I103 PolarHBondContact O-N 3.06Å; I103-Q106 PolarHBondContact O-N 2.72Å; I103-R107 VanDerWaalsContact O-CB 3.24Å; I103-R107 WeakPolarHBondContact O-CB 3.39Å; I103-R107 PolarHBondContact O-N 2.99Å
104	K	80.7	Confident	68.4	Low	134 Å²	134	119.6 Å²	119.6	58%	0.583	57%	0.569	S	S	*	*	H	α-helix	trans	-61.3	-45.1	175.9	-178.8	-178.5	175.7	-172.7	0	111.6	D100 E101 E102 R107 D108	D100-K104 WeakPolarHBondContact O-CB 3.17Å; D100-K104 PolarHBondContact O-N 3.39Å; E101-K104 PolarHBondContact O-N 3.09Å; E102-K104 VanDerWaalsContact C-N 3.31Å; E102-K104 PolarHBondContact O-N 3.11Å; K104-R107 CarbonylContact O-C 3.54Å; K104-R107 WeakPolarHBondContact O-CB 3.43Å; K104-R107 PolarHBondContact O-N 2.92Å; K104-D108 WeakPolarHBondContact O-CB 3.36Å; K104-D108 PolarHBondContact O-N 3.14Å
105	K	78.9	Confident	66.7	Low	113 Å²	113	120.9 Å²	120.9	49%	0.491	58%	0.577	S	S	.	*	H	α-helix	trans	-61.9	-45.3	177.5	173.7	179.1	154.2	-143.6	0	112.4	E101 E102 R107 D108 L109	E101-K105 VanDerWaalsContact O-CB 3.29Å; E101-K105 WeakPolarHBondContact O-CB 3.27Å; E101-K105 PolarHBondContact O-N 3.36Å; E102-K105 VanDerWaalsContact CD-NZ 3.28Å; E102-K105 WeakPolarHBondContact O-CB 3.37Å; E102-K105 PolarHBondContact O-N 3.32Å; E102-K105 IonicContact OE1-NZ 3.64Å; E102-K105 PolarHBondContact OE1-NZ 3.25Å; E102-K105 VanDerWaalsContact OE1-NZ 3.1Å; E102-K105 WeakPolarHBondContact OE2-CD 3.43Å; E102-K105 IonicContact OE2-NZ 2.75Å; E102-K105 PolarHBondContact OE2-NZ 3.25Å; K105-R107 VanDerWaalsContact C-N 3.31Å; K105-R107 PolarHBondContact O-N 3.47Å; K105-D108 PolarHBondContact O-N 3.5Å; K105-L109 HydrophobicContact CG-CD1 4.47Å; K105-L109 WeakPolarHBondContact O-CG 3.34Å; K105-L109 PolarHBondContact O-N 3.12Å
106	Q	71.9	Confident	65.7	Low	99 Å²	99	120.3 Å²	120.3	46%	0.463	58%	0.582	S	S	.	*	H	α-helix	trans	-59.9	-41.8	172	-64.5	-68.7	-35.7	0	0	111.2	E102 I103 L109 L110	E102-Q106 HydrophobicContact CG-CG 4.42Å; E102-Q106 VanDerWaalsContact O-CG 3.25Å; E102-Q106 WeakPolarHBondContact O-CG 3.49Å; E102-Q106 PolarHBondContact O-N 3.39Å; E102-Q106 PolarHBondContact OE1-NE2 3.25Å; I103-Q106 PolarHBondContact O-N 2.72Å; Q106-L109 PolarHBondContact O-N 3.37Å; Q106-L110 WeakPolarHBondContact O-CG 3.46Å; Q106-L110 PolarHBondContact O-N 3.07Å; Q106-L110 VanDerWaalsContact O-N 3.12Å
107	R	72.6	Confident	64	Low	179 Å²	179	118.6 Å²	118.6	68%	0.675	59%	0.586	S	S	*	*	H	α-helix	trans	-71.2	-28.4	179.8	-160.4	175	-160.2	149.7	4.8	113.7	I103 K104 K105	I103-R107 VanDerWaalsContact O-CB 3.24Å; I103-R107 WeakPolarHBondContact O-CB 3.39Å; I103-R107 PolarHBondContact O-N 2.99Å; K104-R107 CarbonylContact O-C 3.54Å; K104-R107 WeakPolarHBondContact O-CB 3.43Å; K104-R107 PolarHBondContact O-N 2.92Å; K105-R107 VanDerWaalsContact C-N 3.31Å; K105-R107 PolarHBondContact O-N 3.47Å
108	D	74	Confident	62.4	Low	72 Å²	72	121.3 Å²	121.3	39%	0.385	61%	0.608	S	S	.	*	H	α-helix	trans	-81.3	-31	173.5	-76.2	-29	0	0	0	112.3	K104 K105 L110 K111	K104-D108 WeakPolarHBondContact O-CB 3.36Å; K104-D108 PolarHBondContact O-N 3.14Å; K105-D108 PolarHBondContact O-N 3.5Å; D108-L110 VanDerWaalsContact C-N 3.3Å; D108-L110 PolarHBondContact O-N 3.05Å; D108-K111 PolarHBondContact O-N 2.83Å; D108-K111 WeakPolarHBondContact OD1-CD 3.48Å; D108-K111 VanDerWaalsContact OD1-CE 3.27Å; D108-K111 WeakPolarHBondContact OD1-CE 3.37Å; D108-K111 IonicContact OD1-NZ 2.69Å; D108-K111 PolarHBondContact OD1-NZ 2.75Å
109	L	71.5	Confident	60.7	Low	124 Å²	124	126.5 Å²	126.5	65%	0.649	63%	0.629	S	S	*	*	H	α-helix	trans	-64.4	-32.8	168.5	-74.8	166.6	0	0	0	112.6	K105 Q106 K111	K105-L109 HydrophobicContact CG-CD1 4.47Å; K105-L109 WeakPolarHBondContact O-CG 3.34Å; K105-L109 PolarHBondContact O-N 3.12Å; Q106-L109 PolarHBondContact O-N 3.37Å; L109-K111 VanDerWaalsContact C-N 3.31Å; L109-K111 PolarHBondContact O-N 2.86Å
110	L	63	Low	58.8	Low	141 Å²	141	127.1 Å²	127.1	74%	0.738	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-3.7	177.1	-74.7	165.8	0	0	0	114.5	Q106 D108	Q106-L110 WeakPolarHBondContact O-CG 3.46Å; Q106-L110 PolarHBondContact O-N 3.07Å; Q106-L110 VanDerWaalsContact O-N 3.12Å; D108-L110 VanDerWaalsContact C-N 3.3Å; D108-L110 PolarHBondContact O-N 3.05Å
111	K	50.2	Low	57	Low	123 Å²	123	128.6 Å²	128.6	54%	0.535	67%	0.665	S	S	.	*	S	Bend	trans	-82.8	123.1	176.1	-74.9	172.4	-175	169.4	0	110.7	D108 L109 K113	D108-K111 PolarHBondContact O-N 2.83Å; D108-K111 WeakPolarHBondContact OD1-CD 3.48Å; D108-K111 VanDerWaalsContact OD1-CE 3.27Å; D108-K111 WeakPolarHBondContact OD1-CE 3.37Å; D108-K111 IonicContact OD1-NZ 2.69Å; D108-K111 PolarHBondContact OD1-NZ 2.75Å; L109-K111 VanDerWaalsContact C-N 3.31Å; L109-K111 PolarHBondContact O-N 2.86Å; K111-K113 PolarHBondContact O-N 3.36Å; K111-K113 VanDerWaalsContact O-N 3.14Å
112	P	40.6	Very low	54.8	Low	124 Å²	124	132.4 Å²	132.4	81%	0.805	68%	0.682	S	S	*	*			trans	-65.3	117.1	173.8	26.6	-33.1	0	0	0	110.2	R114	P112-R114 PolarHBondContact O-N 2.75Å
113	K	46.3	Very low	53.1	Low	208 Å²	208	134.9 Å²	134.9	90%	0.904	71%	0.708	S	S	*	*			trans	-68.6	89.1	175.4	-69.5	179.2	-178.5	171	0	110.4	K111	K111-K113 PolarHBondContact O-N 3.36Å; K111-K113 VanDerWaalsContact O-N 3.14Å
114	R	36.6	Very low	51.3	Low	233 Å²	233	135 Å²	135	88%	0.879	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-69.6	128.1	164.6	-176.8	-178	-86.4	-149.8	-3.1	108.6	P112	P112-R114 PolarHBondContact O-N 2.75Å
115	P	39.3	Very low	49.1	Very low	107 Å²	107	133.5 Å²	133.5	70%	0.695	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-60.1	144.8	173.4	-23.2	33.9	0	0	0	111.7
116	P	46.9	Very low	47.1	Very low	115 Å²	115	133.4 Å²	133.4	75%	0.747	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-68.3	145.3	169.4	30.4	-33.9	0	0	0	110.1
117	P	37.3	Very low	45.5	Very low	112 Å²	112	135.4 Å²	135.4	73%	0.727	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-65.8	144	171.9	28.8	-34.1	0	0	0	110.3	K119	P117-K119 PolarHBondContact O-N 2.99Å
118	P	43.6	Very low	43.8	Very low	130 Å²	130	133.1 Å²	133.1	84%	0.844	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-64.1	134.9	176.1	26.9	-33.8	0	0	0	110.6
119	K	41.2	Very low	42	Very low	204 Å²	204	138.5 Å²	138.5	89%	0.887	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-79.7	131.6	172.5	-66.4	-178.4	178.9	-179.6	0	109.4	P117	P117-K119 PolarHBondContact O-N 2.99Å
120	A	32.2	Very low	40.3	Very low	108 Å²	108	135.8 Å²	135.8	89%	0.893	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-72.7	143.8	164.6	0	0	0	0	0	110.3
121	S	40	Very low	39.1	Very low	116 Å²	116	134.9 Å²	134.9	81%	0.811	77%	0.774	S	S	*	*			trans	-130.9	138.6	170	56	0	0	0	0	109.5
122	E	34.5	Very low	38.3	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	79%	0.789	S	S	*	*			trans	-88.3	177.8	-167.8	-57.1	171.8	116	0	0	113.3
123	S	38.7	Very low	38.1	Very low	124 Å²	124	141.5 Å²	141.5	87%	0.867	79%	0.787	S	S	*	*			trans	75	136.8	169.9	81.6	0	0	0	0	116.2
124	A	36.5	Very low	37.5	Very low	86 Å²	86	139.7 Å²	139.7	71%	0.711	78%	0.782	S	S	*	*			cis	-153.7	159.1	-10.2	0	0	0	0	0	112.1
125	S	36.2	Very low	37.4	Very low	102 Å²	102	132.5 Å²	132.5	71%	0.713	78%	0.781	S	S	*	*			trans	27.4	136.4	144.5	63	0	0	0	0	120.3
126	T	37	Very low	37.2	Very low	111 Å²	111	133.3 Å²	133.3	68%	0.681	79%	0.789	S	S	*	*			cis	-169.7	156	32.9	-17.3	0	0	0	0	112.2
127	N	36.9	Very low	36.8	Very low	140 Å²	140	133.2 Å²	133.2	75%	0.749	79%	0.788	S	S	*	*			trans	68.5	147.9	155.8	-62.7	-26.1	0	0	0	117.7
128	L	36.7	Very low	36.7	Very low	131 Å²	131	139 Å²	139	69%	0.686	80%	0.797	S	S	*	*			cis	-147.8	160.5	3.6	-150.5	75	0	0	0	110.4
129	F	36.6	Very low	36.1	Very low	185 Å²	185	137.2 Å²	137.2	81%	0.811	79%	0.794	S	S	*	*			trans	-5.4	137.2	176.7	-54.7	-71	0	0	0	119.7
130	G	35.6	Very low	35.9	Very low	68 Å²	68	137.7 Å²	137.7	70%	0.701	80%	0.796	S	S	*	*			cis	165	-170.3	9.7	0	0	0	0	0	109.6
131	T	37.7	Very low	36.4	Very low	122 Å²	122	136.9 Å²	136.9	75%	0.748	79%	0.789	S	S	*	*			cis	-169.9	126.8	-9.1	2.3	0	0	0	0	110.6
132	Q	34.1	Very low	36.5	Very low	183 Å²	183	140.1 Å²	140.1	86%	0.855	79%	0.785	S	S	*	*			trans	67.5	147.1	172.6	-52.7	-176.7	-1.2	0	0	116
133	R	36	Very low	37.2	Very low	202 Å²	202	133 Å²	133	76%	0.762	75%	0.754	S	S	*	*			cis	-154	137.2	22.8	-161.3	174.4	-173.6	161.8	6.2	114.1
134	E	33.8	Very low	37.6	Very low	170 Å²	170	129.8 Å²	129.8	79%	0.794	73%	0.732	S	S	*	*			trans	32.5	120.3	151.2	-58.6	165.8	130.1	0	0	121.9
135	G	34.1	Very low	37.8	Very low	83 Å²	83	137.2 Å²	137.2	86%	0.856	74%	0.742	S	S	*	*			trans	175.9	130.1	164.4	0	0	0	0	0	113.7
136	S	35.3	Very low	38.4	Very low	124 Å²	124	139.1 Å²	139.1	87%	0.867	74%	0.744	S	S	*	*			trans	-100.8	147.8	-173.2	-161.7	0	0	0	0	112.8
137	P	39	Very low	39.2	Very low	113 Å²	113	138 Å²	138	73%	0.734	73%	0.734	S	S	*	*			trans	-97.5	150	-163.7	36.8	-35.1	0	0	0	115.6
138	Y	34.6	Very low	40	Very low	232 Å²	232	138.8 Å²	138.8	91%	0.91	73%	0.733	S	S	*	*			trans	-137.7	149.9	160.9	-111.7	-99.5	0	0	0	111.1
139	A	32.6	Very low	40.9	Very low	93 Å²	93	138.2 Å²	138.2	77%	0.769	73%	0.731	S	S	*	*			trans	8.6	102.8	172.3	0	0	0	0	0	119.1	A141	A139-A141 PolarHBondContact O-N 3.3Å
140	K	36.3	Very low	42.1	Very low	215 Å²	215	130 Å²	130	94%	0.935	70%	0.696	S	S	*	*			trans	-73.3	105.9	155.3	-78.2	-169.4	173.7	-172.2	0	109.6
141	A	41.6	Very low	43.3	Very low	91 Å²	91	131.5 Å²	131.5	75%	0.752	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-69.5	155.9	161.2	0	0	0	0	0	110.3	A139	A139-A141 PolarHBondContact O-N 3.3Å
142	Y	43.3	Very low	44.7	Very low	184 Å²	184	131.6 Å²	131.6	72%	0.722	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-75.4	145.2	163	-70.2	-92.6	0	0	0	108.7	F153	Y142-F153 HydrophobicContact CD1-CE1 4.45Å
143	P	48.6	Very low	46.2	Very low	34 Å²	34	127.6 Å²	127.6	22%	0.221	66%	0.664	C	S	.	*	P	Polyproline II helix	trans	-56.1	147.9	173.1	-23.2	33.5	0	0	0	111.8	D147 A150 F153	P143-D147 WeakPolarHBondContact CA-OD2 3.24Å; P143-D147 HydrophobicContact CB-CB 4.06Å; P143-A150 HydrophobicContact CB-CB 4.2Å; P143-F153 HydrophobicContact CG-CB 4.46Å; P143-F153 HydrophobicContact CG-CD1 4.32Å; P143-F153 HydrophobicContact CG-CG 4.28Å
144	S	46.9	Very low	47.3	Very low	56 Å²	56	123 Å²	123	39%	0.392	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-62.4	162.6	164.5	-165.3	0	0	0	0	110.2	D146 D147	S144-D146 PolarHBondContact O-N 2.9Å; S144-D146 PolarHBondContact OG-N 2.77Å; S144-D146 PolarHBondContact OG-OD2 3.48Å; S144-D146 VanDerWaalsContact OG-OD2 3.05Å; S144-D147 PolarHBondContact N-OD2 2.76Å; S144-D147 PolarHBondContact O-N 3.34Å
145	W	41.9	Very low	48.7	Very low	243 Å²	243	119.3 Å²	119.3	92%	0.92	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-13.1	167.5	-74.4	70.3	0	0	0	112.4
146	D	47	Very low	50.1	Low	142 Å²	142	122.2 Å²	122.2	76%	0.759	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	1.6	-178.9	-39.3	-71.2	0	0	0	113.4	S144	S144-D146 PolarHBondContact O-N 2.9Å; S144-D146 PolarHBondContact OG-N 2.77Å; S144-D146 PolarHBondContact OG-OD2 3.48Å; S144-D146 VanDerWaalsContact OG-OD2 3.05Å
147	D	55.4	Low	50.5	Low	87 Å²	87	121.4 Å²	121.4	47%	0.465	62%	0.616	S	S	.	*			trans	-77.5	126.6	175.2	-84.5	-53.4	0	0	0	110.7	P143 S144 N149 A150	P143-D147 WeakPolarHBondContact CA-OD2 3.24Å; P143-D147 HydrophobicContact CB-CB 4.06Å; S144-D147 PolarHBondContact N-OD2 2.76Å; S144-D147 PolarHBondContact O-N 3.34Å; D147-N149 PolarHBondContact O-N 2.89Å; D147-N149 VanDerWaalsContact O-N 3.08Å; D147-A150 HydrophobicContact CB-CB 4.43Å; D147-A150 WeakPolarHBondContact O-CB 3.4Å; D147-A150 PolarHBondContact O-N 3.2Å
148	E	53.7	Low	50.5	Low	156 Å²	156	121.6 Å²	121.6	73%	0.729	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-31.5	-177.8	-61.9	-176	131.9	0	0	113.2
149	N	55.9	Low	50.6	Low	120 Å²	120	118.1 Å²	118.1	64%	0.642	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	0.4	179.5	-66	-26.3	0	0	0	114.4	D147 V151 E152 F153	D147-N149 PolarHBondContact O-N 2.89Å; D147-N149 VanDerWaalsContact O-N 3.08Å; N149-V151 PolarHBondContact O-N 2.97Å; N149-E152 PolarHBondContact O-N 3.41Å; N149-F153 PolarHBondContact O-N 3.49Å
150	A	61.8	Low	50.8	Low	11 Å²	11	121.7 Å²	121.7	9%	0.091	62%	0.615	C	S	.	*	H	α-helix	trans	-61.3	-33.2	-178.4	0	0	0	0	0	112.5	P143 D147 F153 Y154	P143-A150 HydrophobicContact CB-CB 4.2Å; D147-A150 HydrophobicContact CB-CB 4.43Å; D147-A150 WeakPolarHBondContact O-CB 3.4Å; D147-A150 PolarHBondContact O-N 3.2Å; A150-F153 PolarHBondContact O-N 3.43Å; A150-Y154 HydrophobicContact CB-CD2 4.49Å; A150-Y154 HydrophobicContact CB-CE2 4.43Å; A150-Y154 WeakPolarHBondContact O-CD2 3.4Å; A150-Y154 PolarHBondContact O-N 2.88Å; A150-Y154 VanDerWaalsContact O-N 3.07Å
151	V	59.2	Low	50.9	Low	100 Å²	100	117.1 Å²	117.1	61%	0.606	61%	0.607	S	S	*	*	H	α-helix	trans	-66.1	-41	-179.9	-177	0	0	0	0	111.8	N149 F153 S155	N149-V151 PolarHBondContact O-N 2.97Å; V151-F153 VanDerWaalsContact C-N 3.34Å; V151-S155 VanDerWaalsContact O-CB 3.32Å; V151-S155 WeakPolarHBondContact O-CB 3.29Å; V151-S155 PolarHBondContact O-N 2.89Å; V151-S155 VanDerWaalsContact O-N 3.11Å; V151-S155 PolarHBondContact O-OG 2.88Å
152	E	67.3	Low	50.4	Low	125 Å²	125	120.7 Å²	120.7	58%	0.584	61%	0.608	S	S	*	*	H	α-helix	trans	-67.2	-35.9	174.7	-69.2	-158.8	145.2	0	0	111.9	N149 S155 Q156	N149-E152 PolarHBondContact O-N 3.41Å; E152-S155 WeakPolarHBondContact CA-OG 3.34Å; E152-S155 PolarHBondContact O-OG 3.33Å; E152-Q156 WeakPolarHBondContact O-CG 3.09Å; E152-Q156 PolarHBondContact O-NE2 3.3Å
153	F	66.4	Low	49.7	Very low	98 Å²	98	117.4 Å²	117.4	43%	0.43	61%	0.612	S	S	.	*	H	α-helix	trans	-66.2	-46.6	179	-177.8	-98.5	0	0	0	112.5	Y142 P143 N149 A150 V151	Y142-F153 HydrophobicContact CD1-CE1 4.45Å; P143-F153 HydrophobicContact CG-CB 4.46Å; P143-F153 HydrophobicContact CG-CD1 4.32Å; P143-F153 HydrophobicContact CG-CG 4.28Å; N149-F153 PolarHBondContact O-N 3.49Å; A150-F153 PolarHBondContact O-N 3.43Å; V151-F153 VanDerWaalsContact C-N 3.34Å
154	Y	59.6	Low	48.9	Very low	107 Å²	107	124.3 Å²	124.3	42%	0.42	65%	0.647	S	S	.	*	H	α-helix	trans	-78.8	-24.3	-177.9	-68.7	-65.6	0	0	0	113.7	A150 Q156 I157	A150-Y154 HydrophobicContact CB-CD2 4.49Å; A150-Y154 HydrophobicContact CB-CE2 4.43Å; A150-Y154 WeakPolarHBondContact O-CD2 3.4Å; A150-Y154 PolarHBondContact O-N 2.88Å; A150-Y154 VanDerWaalsContact O-N 3.07Å; Y154-Q156 VanDerWaalsContact C-N 3.29Å; Y154-Q156 PolarHBondContact O-N 3.32Å; Y154-I157 HydrophobicContact CD1-CD1 3.9Å
155	S	62.9	Low	48.1	Very low	91 Å²	91	126.5 Å²	126.5	64%	0.636	67%	0.668	S	S	*	*	H	α-helix	trans	-76.5	-11.1	175.3	55.5	0	0	0	0	114.5	V151 E152	V151-S155 VanDerWaalsContact O-CB 3.32Å; V151-S155 WeakPolarHBondContact O-CB 3.29Å; V151-S155 PolarHBondContact O-N 2.89Å; V151-S155 VanDerWaalsContact O-N 3.11Å; V151-S155 PolarHBondContact O-OG 2.88Å; E152-S155 WeakPolarHBondContact CA-OG 3.34Å; E152-S155 PolarHBondContact O-OG 3.33Å
156	Q	62.7	Low	47.5	Very low	144 Å²	144	124.2 Å²	124.2	67%	0.673	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	1.9	175.4	-70.9	176.4	37.9	0	0	114.1	E152 Y154 P158	E152-Q156 WeakPolarHBondContact O-CG 3.09Å; E152-Q156 PolarHBondContact O-NE2 3.3Å; Y154-Q156 VanDerWaalsContact C-N 3.29Å; Y154-Q156 PolarHBondContact O-N 3.32Å; Q156-P158 WeakPolarHBondContact O-CD 3.49Å
157	I	44	Very low	46.9	Very low	108 Å²	108	122.6 Å²	122.6	55%	0.554	67%	0.667	S	S	*	*	S	Bend	trans	-80.1	119.7	177.2	-58.6	179.9	0	0	0	109.2	Y154	Y154-I157 HydrophobicContact CD1-CD1 3.9Å
158	P	39.5	Very low	46	Very low	117 Å²	117	126.3 Å²	126.3	76%	0.76	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-74.4	129.5	-179.5	-16	31.4	0	0	0	112.4	Q156	Q156-P158 WeakPolarHBondContact O-CD 3.49Å
159	D	36.2	Very low	44.7	Very low	158 Å²	158	125.6 Å²	125.6	85%	0.845	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-71.9	158	160.2	-84.1	-46.4	0	0	0	111.2
160	H	36.3	Very low	43.6	Very low	168 Å²	168	125.5 Å²	125.5	78%	0.778	69%	0.688	S	S	*	*			trans	73.5	163	179.6	-80.5	-49	0	0	0	117.7
161	P	39.5	Very low	42	Very low	119 Å²	119	133 Å²	133	77%	0.773	72%	0.721	S	S	*	*			cis	-122.5	-178.4	4	20.5	4	0	0	0	116.2
162	Q	30.1	Very low	40.8	Very low	166 Å²	166	135.3 Å²	135.3	78%	0.776	73%	0.73	S	S	*	*			trans	-77.6	172.7	171.7	-63.1	167.2	-26.1	0	0	112.5
163	S	30	Very low	39.3	Very low	115 Å²	115	136.8 Å²	136.8	80%	0.804	74%	0.737	S	S	*	*			trans	75.6	114.9	164.7	77	0	0	0	0	118.4
164	L	30	Very low	37.7	Very low	180 Å²	180	137.9 Å²	137.9	94%	0.942	75%	0.747	S	S	*	*			trans	-176.6	88.1	147.7	-108.7	162.9	0	0	0	110.9
165	A	31.8	Very low	36.4	Very low	102 Å²	102	139.9 Å²	139.9	84%	0.843	77%	0.765	S	S	*	*			trans	-170.2	82.5	165.1	0	0	0	0	0	111.8
166	Q	29.2	Very low	35	Very low	194 Å²	194	139.5 Å²	139.5	91%	0.907	77%	0.768	S	S	*	*			trans	-134.3	113.6	165.1	-79.6	-171.4	-9.7	0	0	109.9
167	S	34.4	Very low	33.4	Very low	108 Å²	108	143.8 Å²	143.8	76%	0.755	78%	0.779	S	S	*	*			trans	-170.3	116.9	159	27.9	0	0	0	0	112.4
168	H	34.8	Very low	32.6	Very low	165 Å²	165	144.1 Å²	144.1	76%	0.764	79%	0.791	S	S	*	*			trans	34.3	109.4	144.4	-51	-64.2	0	0	0	119.5
169	L	27.8	Very low	32.3	Very low	142 Å²	142	143 Å²	143	74%	0.743	79%	0.792	S	S	*	*				81.4	156.6	82	-77.5	171.7	0	0	0	114
170	P	33.1	Very low	32.1	Very low	118 Å²	118	140.5 Å²	140.5	77%	0.766	79%	0.786	S	S	*	*			cis	-124.6	-173.1	4.2	40.7	-24.9	0	0	0	115.7
171	E	27.9	Very low	31.9	Very low	168 Å²	168	139.7 Å²	139.7	79%	0.785	79%	0.793	S	S	*	*			trans	-73.7	157.8	-171	-55.3	133.7	132	0	0	115.7
172	N	33.4	Very low	31.3	Very low	149 Å²	149	145.3 Å²	145.3	80%	0.797	80%	0.799	S	S	*	*			trans	-159	116.4	130.6	-124.7	-26.1	0	0	0	114.7
173	H	35.3	Very low	31.5	Very low	156 Å²	156	141.2 Å²	141.2	72%	0.722	80%	0.801	S	S	*	*			trans	32.1	127.2	150.7	-80.1	-65.6	0	0	0	125.5
174	N	33.4	Very low	31.5	Very low	121 Å²	121	144 Å²	144	65%	0.647	81%	0.805	S	S	*	*			trans	92.7	99.6	131.2	-63.7	-6.5	0	0	0	122.9
175	N	32.3	Very low	31.7	Very low	148 Å²	148	140.1 Å²	140.1	79%	0.791	80%	0.799	S	S	*	*				74.3	148.6	120.6	-67.6	-8.2	0	0	0	123.9
176	A	32.9	Very low	31.8	Very low	84 Å²	84	143 Å²	143	69%	0.694	80%	0.8	S	S	*	*			trans	70.9	143.8	161	0	0	0	0	0	117.8
177	Y	30	Very low	32.1	Very low	234 Å²	234	138.3 Å²	138.3	92%	0.918	80%	0.795	S	S	*	*			cis	-140.2	160.7	-8.2	-113.3	-65	0	0	0	110.5
178	S	27.4	Very low	32.2	Very low	114 Å²	114	139.2 Å²	139.2	80%	0.797	80%	0.798	S	S	*	*			trans	-149.3	130	164.3	73	0	0	0	0	113
179	A	32.9	Very low	32.4	Very low	94 Å²	94	139.7 Å²	139.7	78%	0.777	81%	0.805	S	S	*	*			trans	-142.9	131.5	161.1	0	0	0	0	0	107.2
180	S	30.7	Very low	32.9	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	81%	0.811	S	S	*	*			cis	76.9	105.5	33	-163	0	0	0	0	114
181	V	32.6	Very low	33.3	Very low	151 Å²	151	142.1 Å²	142.1	92%	0.915	81%	0.809	S	S	*	*			trans	-119.9	82.3	164.6	-176.3	0	0	0	0	109
182	R	28.3	Very low	34.1	Very low	237 Å²	237	140.3 Å²	140.3	89%	0.894	81%	0.812	S	S	*	*			trans	-144.1	123	154.3	-80.3	-167.7	177.3	-170.6	-0.3	107.4
183	G	32.8	Very low	34.1	Very low	80 Å²	80	139.9 Å²	139.9	83%	0.825	82%	0.815	S	S	*	*			trans	-156.3	103.7	178.5	0	0	0	0	0	111.1
184	I	30.4	Very low	34.3	Very low	175 Å²	175	137.4 Å²	137.4	90%	0.897	82%	0.821	S	S	*	*			trans	-111.2	115.7	164.4	-64.7	168	0	0	0	105.9
185	A	34.5	Very low	34.4	Very low	98 Å²	98	136.1 Å²	136.1	81%	0.81	83%	0.828	S	S	*	*			trans	-156.1	138	167.6	0	0	0	0	0	109.9
186	N	34.2	Very low	34.6	Very low	162 Å²	162	133.2 Å²	133.2	87%	0.866	82%	0.824	S	S	*	*			trans	-87.7	146.3	176.9	-63.7	-48.9	0	0	0	110.9
187	A	34.5	Very low	34.9	Very low	96 Å²	96	135.4 Å²	135.4	79%	0.793	82%	0.824	S	S	*	*			trans	-138.7	116.4	163.5	0	0	0	0	0	109.6
188	P	37.3	Very low	35.1	Very low	126 Å²	126	132.4 Å²	132.4	82%	0.818	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-86.6	128	-178	32.2	-32.4	0	0	0	112
189	L	38	Very low	35.5	Very low	176 Å²	176	130.5 Å²	130.5	92%	0.921	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83.4	134.4	170.2	-82.4	162.1	0	0	0	111
190	K	38.4	Very low	35.7	Very low	200 Å²	200	133.4 Å²	133.4	87%	0.87	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-75.7	136.8	179.4	-67.7	176.9	176.7	176.4	0	111.9
191	P	42.7	Very low	35.9	Very low	110 Å²	110	131.5 Å²	131.5	71%	0.714	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-81.3	153.4	150.1	34.3	-31.8	0	0	0	110.9
192	P	44.1	Very low	36	Very low	131 Å²	131	130.4 Å²	130.4	85%	0.851	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-82	153.8	174.1	33.7	-34.6	0	0	0	112.5
193	T	34.3	Very low	36.3	Very low	140 Å²	140	124 Å²	124	86%	0.859	80%	0.804	S	S	*	*			trans	-121.1	109.2	-177.9	51	0	0	0	0	113.3
194	A	38.1	Very low	36.6	Very low	103 Å²	103	125.9 Å²	125.9	85%	0.851	80%	0.799	S	S	*	*			trans	-176.1	154.1	154.7	0	0	0	0	0	108.7
195	A	36.1	Very low	37	Very low	95 Å²	95	125.1 Å²	125.1	79%	0.785	79%	0.789	S	S	*	*			cis	-171.4	165.3	-28.9	0	0	0	0	0	107
196	A	37	Very low	37	Very low	86 Å²	86	128.1 Å²	128.1	71%	0.711	79%	0.787	S	S	*	*			trans	71	108.6	166.8	0	0	0	0	0	120.2
197	N	37.6	Very low	37.2	Very low	130 Å²	130	125.4 Å²	125.4	70%	0.695	79%	0.787	S	S	*	*				80.5	133.4	122.3	-70.6	31.9	0	0	0	124.5
198	E	35.9	Very low	37.1	Very low	172 Å²	172	129.7 Å²	129.7	80%	0.804	79%	0.788	S	S	*	*			trans	69.8	151.6	143	-67.5	158.9	-125.7	0	0	120.5
199	A	34.5	Very low	37.2	Very low	74 Å²	74	127.1 Å²	127.1	61%	0.612	78%	0.784	S	S	*	*			cis	-172.2	149.3	-32.7	0	0	0	0	0	110.3
200	T	37.8	Very low	37	Very low	154 Å²	154	124.6 Å²	124.6	95%	0.945	77%	0.771	S	S	*	*			trans	61.1	153.8	167	53.7	0	0	0	0	118.7
201	G	34.5	Very low	37	Very low	66 Å²	66	124 Å²	124	68%	0.68	77%	0.769	S	S	*	*			cis	176.5	171.9	-5.3	0	0	0	0	0	114
202	C	34.2	Very low	36.7	Very low	128 Å²	128	124.1 Å²	124.1	87%	0.865	77%	0.772	S	S	*	*			trans	69	134.9	-179.8	-65.1	0	0	0	0	117.1
203	S	35.9	Very low	36.4	Very low	101 Å²	101	122.8 Å²	122.8	71%	0.706	77%	0.766	S	S	*	*			cis	83	132.5	30.6	-156.3	0	0	0	0	112.7
204	V	38.4	Very low	36.6	Very low	121 Å²	121	120.2 Å²	120.2	73%	0.733	75%	0.754	S	S	*	*				-161.9	132.1	66	160.9	0	0	0	0	114.3
205	K	38.1	Very low	36.7	Very low	158 Å²	158	123.5 Å²	123.5	69%	0.687	75%	0.752	S	S	*	*			trans	39.7	126.5	137.9	-59.1	-179.2	160.1	-87.8	0	122.6
206	E	35.1	Very low	36.8	Very low	161 Å²	161	125.9 Å²	125.9	75%	0.752	75%	0.751	S	S	*	*				84	127.4	74.2	-68.1	173.5	130.6	0	0	117
207	A	38	Very low	36.9	Very low	106 Å²	106	131.1 Å²	131.1	88%	0.876	76%	0.761	S	S	*	*			trans	-166.2	152.8	137.7	0	0	0	0	0	111.1
208	K	32.3	Very low	36.7	Very low	186 Å²	186	132.9 Å²	132.9	81%	0.809	77%	0.77	S	S	*	*			trans	-138.8	158.5	179.1	-117.2	-161	174.4	-145.6	0	110.7	D210	K208-D210 IonicContact NZ-OD1 2.99Å
209	G	40.7	Very low	36.4	Very low	72 Å²	72	127.7 Å²	127.7	74%	0.742	76%	0.762	S	S	*	*			trans	-163.2	129	166.8	0	0	0	0	0	111.4
210	D	33.9	Very low	36.5	Very low	122 Å²	122	130.4 Å²	130.4	65%	0.652	77%	0.774	S	S	*	*			trans	-122.3	148.9	-173.1	-54.4	-65.2	0	0	0	111.5	K208	K208-D210 IonicContact NZ-OD1 2.99Å
211	K	38	Very low	36.1	Very low	189 Å²	189	131.9 Å²	131.9	82%	0.822	77%	0.77	S	S	*	*			trans	139.7	136.6	131.2	-76.4	-179.4	177.6	-176	0	118.3
212	S	36.3	Very low	35.8	Very low	112 Å²	112	134.7 Å²	134.7	78%	0.783	78%	0.779	S	S	*	*			trans	61.7	144.5	147.8	46.3	0	0	0	0	120.6
213	S	38.2	Very low	35.7	Very low	103 Å²	103	133.4 Å²	133.4	72%	0.72	78%	0.778	S	S	*	*			cis	-167	173	-2.1	46.7	0	0	0	0	112.2
214	S	39	Very low	35.3	Very low	85 Å²	85	137.4 Å²	137.4	59%	0.594	79%	0.788	S	S	*	*			trans	64.4	112.7	160.3	44	0	0	0	0	117.6
215	E	39.1	Very low	34.9	Very low	173 Å²	173	139.7 Å²	139.7	81%	0.808	79%	0.79	S	S	*	*				78.3	128.8	90.5	-69.8	154.7	-166.4	0	0	111.7
216	D	37.9	Very low	34.4	Very low	144 Å²	144	139.3 Å²	139.3	77%	0.77	79%	0.793	S	S	*	*			cis	-157.3	-171	5.3	-97.3	-25.8	0	0	0	111.4
217	E	40.2	Very low	34.2	Very low	196 Å²	196	141.3 Å²	141.3	92%	0.916	80%	0.799	S	S	*	*			trans	83	139.8	175.9	-65.5	-72.7	128.2	0	0	117.4
218	D	32	Very low	33.6	Very low	168 Å²	168	141.4 Å²	141.4	90%	0.898	79%	0.793	S	S	*	*			trans	-117.2	148.3	-142.8	-147.4	-15.5	0	0	0	115.9
219	G	30	Very low	33.5	Very low	62 Å²	62	138.6 Å²	138.6	64%	0.639	79%	0.792	S	S	*	*			trans	142	133.2	177.2	0	0	0	0	0	113.4
220	P	37.7	Very low	33	Very low	132 Å²	132	142.2 Å²	142.2	86%	0.857	79%	0.794	S	S	*	*				-148.2	179.2	125.2	39.1	-24.1	0	0	0	115
221	Q	28.9	Very low	32.8	Very low	185 Å²	185	140.6 Å²	140.6	86%	0.864	80%	0.797	S	S	*	*			trans	-85.3	154.7	174	-61.1	167.7	-23.3	0	0	112.7
222	S	28.2	Very low	32.6	Very low	124 Å²	124	137.8 Å²	137.8	87%	0.867	80%	0.799	S	S	*	*			trans	50.3	112.6	141.8	-162	0	0	0	0	120.7
223	A	31.1	Very low	32.2	Very low	102 Å²	102	136.9 Å²	136.9	84%	0.843	80%	0.798	S	S	*	*			trans	-148.6	145.9	150.1	0	0	0	0	0	111.2
224	M	28.1	Very low	32	Very low	185 Å²	185	136.9 Å²	136.9	91%	0.911	80%	0.804	S	S	*	*			trans	-74.9	141.8	175.8	-62.5	166.3	160.2	0	0	111.6
225	H	29.8	Very low	31.6	Very low	168 Å²	168	142.2 Å²	142.2	78%	0.778	82%	0.816	S	S	*	*			trans	-161	162.8	130.8	-127.3	-116.2	0	0	0	114.8
226	M	27.6	Very low	31.4	Very low	150 Å²	150	145.4 Å²	145.4	74%	0.739	82%	0.821	S	S	*	*			trans	-56.6	140.9	-170.1	-55.5	179.4	-75.2	0	0	115.8
227	F	30.3	Very low	31.2	Very low	204 Å²	204	147.6 Å²	147.6	90%	0.895	83%	0.827	S	S	*	*			trans	-134.6	111.1	146.6	-90.8	-78	0	0	0	111.4
228	S	25.4	Very low	30.8	Very low	107 Å²	107	144 Å²	144	75%	0.748	82%	0.82	S	S	*	*			trans	-100.6	125.2	165.2	168	0	0	0	0	108.2
229	V	31.9	Very low	30.9	Very low	128 Å²	128	146 Å²	146	78%	0.776	82%	0.821	S	S	*	*			trans	-133.4	132.3	175.9	-174.4	0	0	0	0	109.5
230	N	29.9	Very low	31	Very low	147 Å²	147	151.8 Å²	151.8	79%	0.786	83%	0.832	S	S	*	*			trans	-84.4	162.9	-167.6	-75	-67.4	0	0	0	114.3
231	A	28.4	Very low	30.8	Very low	88 Å²	88	148.8 Å²	148.8	73%	0.727	82%	0.824	S	S	*	*			trans	-59.6	148.7	171.8	0	0	0	0	0	113.2	A233	A231-A233 PolarHBondContact O-N 2.91Å
232	P	34.6	Very low	31.2	Very low	131 Å²	131	145.9 Å²	145.9	85%	0.851	83%	0.825	S	S	*	*			trans	-76.7	89.2	-177.5	31	-35.6	0	0	0	112.5	A234	P232-A234 PolarHBondContact O-N 3.06Å; P232-A234 VanDerWaalsContact O-N 3.11Å
233	A	28.4	Very low	31.5	Very low	92 Å²	92	145.6 Å²	145.6	76%	0.76	82%	0.82	S	S	*	*			trans	-76.7	89.4	167.5	0	0	0	0	0	110.7	A231 K235	A231-A233 PolarHBondContact O-N 2.91Å; A233-K235 PolarHBondContact O-N 2.92Å
234	A	33.5	Very low	31.7	Very low	103 Å²	103	149.7 Å²	149.7	85%	0.851	82%	0.824	S	S	*	*			trans	-65.9	89	179	0	0	0	0	0	112.4	P232	P232-A234 PolarHBondContact O-N 3.06Å; P232-A234 VanDerWaalsContact O-N 3.11Å
235	K	31.3	Very low	32	Very low	197 Å²	197	144.3 Å²	144.3	86%	0.857	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-68.3	138.2	172.1	-72.7	-176.3	177.3	179.9	0	110.7	A233	A233-K235 PolarHBondContact O-N 2.92Å
236	R	34.1	Very low	32.3	Very low	241 Å²	241	144.5 Å²	144.5	91%	0.909	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-68.9	143.2	162.4	-69.2	177.2	172.6	173.9	-4.6	109.7
237	Q	33.7	Very low	32.6	Very low	190 Å²	190	141.1 Å²	141.1	89%	0.888	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-77.2	138.7	161.3	-69.5	173.2	-39.9	0	0	109.5
238	P	32.3	Very low	32.8	Very low	120 Å²	120	140.4 Å²	140.4	78%	0.779	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-82.5	155.8	159.2	35	-31.7	0	0	0	110.2
239	F	34.1	Very low	33.2	Very low	209 Å²	209	142.6 Å²	142.6	92%	0.917	83%	0.829	S	S	*	*			trans	-120.8	122	167.1	-160.5	-85.2	0	0	0	107.1
240	E	31.7	Very low	33.3	Very low	185 Å²	185	142.6 Å²	142.6	86%	0.864	83%	0.834	S	S	*	*			trans	-84.3	140.8	-178.7	-63.7	-177.2	136.3	0	0	110.4
241	G	34.5	Very low	33.3	Very low	68 Å²	68	141.6 Å²	141.6	70%	0.701	84%	0.839	S	S	*	*			trans	-175.3	48.2	-168.4	0	0	0	0	0	117.1
242	S	35.7	Very low	33.6	Very low	124 Å²	124	141 Å²	141	87%	0.867	84%	0.842	S	S	*	*			trans	71.2	140.1	168	-55.9	0	0	0	0	118.4
243	P	34.5	Very low	33.5	Very low	119 Å²	119	144.5 Å²	144.5	77%	0.773	84%	0.844	S	S	*	*			trans	-103.6	167.1	178.4	40.1	-35.1	0	0	0	113.9
244	M	36	Very low	33.6	Very low	188 Å²	188	146.4 Å²	146.4	93%	0.926	85%	0.848	S	S	*	*			trans	155.4	130	139.6	-83.7	-75.7	-82.4	0	0	109.8
245	G	35.3	Very low	33.4	Very low	72 Å²	72	149.2 Å²	149.2	74%	0.742	85%	0.848	S	S	*	*			trans	133.8	105.5	176	0	0	0	0	0	113.4
246	D	34.4	Very low	33.1	Very low	171 Å²	171	144.6 Å²	144.6	91%	0.914	85%	0.847	S	S	*	*			trans	-86.9	152	-174.1	-44.4	-85.1	0	0	0	112.8
247	G	34.4	Very low	32.9	Very low	79 Å²	79	137.4 Å²	137.4	81%	0.814	83%	0.833	S	S	*	*			trans	175.6	111.1	178.2	0	0	0	0	0	114.2
248	E	35.8	Very low	32.5	Very low	190 Å²	190	133.2 Å²	133.2	89%	0.888	83%	0.831	S	S	*	*			trans	-70.8	156.4	-165.4	-61.3	166.4	134.9	0	0	117
249	D	32	Very low	32.4	Very low	153 Å²	153	133.6 Å²	133.6	82%	0.818	82%	0.823	S	S	*	*			trans	40.9	120	146.5	-72.7	4.5	0	0	0	122.9
250	S	34.4	Very low	32	Very low	127 Å²	127	132.4 Å²	132.4	89%	0.888	82%	0.82	S	S	*	*				172.7	173	91.5	51.5	0	0	0	0	112.9
251	S	31.2	Very low	31.8	Very low	126 Å²	126	128.7 Å²	128.7	88%	0.881	81%	0.806	S	S	*	*			trans	-102.2	133.9	-166.2	62.3	0	0	0	0	115.2
252	G	32.9	Very low	31.4	Very low	77 Å²	77	131.2 Å²	131.2	79%	0.794	81%	0.808	S	S	*	*			trans	-112.4	128.5	177.3	0	0	0	0	0	113.4
253	K	33.1	Very low	31	Very low	204 Å²	204	131.8 Å²	131.8	89%	0.887	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73.1	147.9	176.2	-66.1	173.9	-179.2	172.6	0	111.6	L255	K253-L255 PolarHBondContact O-N 3.26Å
254	P	30.9	Very low	30.6	Very low	131 Å²	131	133 Å²	133	85%	0.851	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.5	123.5	169.5	29.2	-33.2	0	0	0	110.7
255	L	28.9	Very low	30	Very low	162 Å²	162	133.9 Å²	133.9	85%	0.848	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-76.7	127.4	-179.2	-171.2	71.7	0	0	0	111.4	K253 S257	K253-L255 PolarHBondContact O-N 3.26Å; L255-S257 PolarHBondContact O-N 2.62Å
256	A	25.6	Very low	29.6	Very low	100 Å²	100	136.2 Å²	136.2	83%	0.826	80%	0.8	S	S	*	*			trans	-93.9	87.9	170.8	0	0	0	0	0	110.3	A258	A256-A258 PolarHBondContact O-N 2.9Å
257	S	29.4	Very low	29.2	Very low	90 Å²	90	131.6 Å²	131.6	63%	0.629	79%	0.793	S	S	*	*			trans	-80.8	99.5	174.4	57.5	0	0	0	0	110.9	L255	L255-S257 PolarHBondContact O-N 2.62Å
258	A	26	Very low	28.8	Very low	103 Å²	103	132.9 Å²	132.9	85%	0.851	78%	0.776	S	S	*	*			trans	-84.9	115.3	158.7	0	0	0	0	0	108.1	A256	A256-A258 PolarHBondContact O-N 2.9Å
259	E	29.4	Very low	28.7	Very low	127 Å²	127	129.6 Å²	129.6	59%	0.593	76%	0.756	S	S	*	*			trans	-112.2	123.6	174	-70.2	-176.3	156.7	0	0	109.5	N261	E259-N261 PolarHBondContact O-N 2.69Å
260	E	25.2	Very low	28.6	Very low	184 Å²	184	127.7 Å²	127.7	86%	0.86	74%	0.741	S	S	*	*			trans	-74	110	169.4	-62.9	177.7	113.6	0	0	108.8	T262	E260-T262 PolarHBondContact O-N 2.69Å
261	N	29.2	Very low	28.6	Very low	107 Å²	107	126 Å²	126	57%	0.572	72%	0.715	S	S	*	*			trans	-97.6	90.4	175.3	-145.4	98.2	0	0	0	109.4	E259 D263	E259-N261 PolarHBondContact O-N 2.69Å; N261-D263 PolarHBondContact ND2-OD2 3.31Å; N261-D263 PolarHBondContact O-N 3.31Å
262	T	25.1	Very low	28.7	Very low	121 Å²	121	120.8 Å²	120.8	74%	0.742	68%	0.678	S	S	*	*			trans	-79.5	77.8	-176.9	52.8	0	0	0	0	112.3	E260	E260-T262 PolarHBondContact O-N 2.69Å
263	D	28.2	Very low	28.4	Very low	136 Å²	136	118.2 Å²	118.2	73%	0.727	65%	0.648	S	S	*	*			trans	-94.7	130	171.1	-69.8	-52.2	0	0	0	111.7	N261	N261-D263 PolarHBondContact ND2-OD2 3.31Å; N261-D263 PolarHBondContact O-N 3.31Å
264	N	25.5	Very low	28.3	Very low	146 Å²	146	113.3 Å²	113.3	78%	0.781	63%	0.627	S	S	*	*			trans	-91.8	149.3	-175.4	-80	-68.2	0	0	0	113.3
265	K	24.2	Very low	28.5	Very low	205 Å²	205	111.7 Å²	111.7	89%	0.891	61%	0.611	S	S	*	*	S	Bend	trans	55.1	59.4	156.8	-63.1	178.7	177.9	178	0	117.9
266	T	26.4	Very low	28.7	Very low	121 Å²	121	107.4 Å²	107.4	74%	0.742	59%	0.592	S	S	*	*			trans	-136.3	137.6	146.3	44.4	0	0	0	0	110.9	F268	T266-F268 PolarHBondContact O-N 2.8Å
267	G	25.1	Very low	28.9	Very low	74 Å²	74	107.9 Å²	107.9	76%	0.763	58%	0.576	S	S	*	*			trans	-71.8	114.3	-177.2	0	0	0	0	0	112
268	F	27.2	Very low	29	Very low	106 Å²	106	107.9 Å²	107.9	47%	0.465	58%	0.575	S	S	.	*			trans	-108.7	98.2	-174.9	-127.9	-68	0	0	0	111.5	T266 K270 K485	T266-F268 PolarHBondContact O-N 2.8Å; F268-K270 PolarHBondContact O-N 3.05Å; F268-K485 VanDerWaalsContact CE1-NZ 3.26Å; F268-K485 VanDerWaalsContact CZ-NZ 3.34Å
269	Y	32.8	Very low	29.1	Very low	121 Å²	121	112 Å²	112	48%	0.475	58%	0.577	S	S	.	*			trans	-64.5	94.3	174	-63.9	-84.1	0	0	0	110.9	W271 D719	Y269-W271 PolarHBondContact O-N 2.85Å; Y269-D719 VanDerWaalsContact CE1-OD2 3.3Å; Y269-D719 WeakPolarHBondContact CE1-OD2 3.36Å; Y269-D719 PolarHBondContact OH-OD1 2.69Å; Y269-D719 PolarHBondContact OH-OD2 2.95Å
270	K	30.2	Very low	29.1	Very low	113 Å²	113	110.2 Å²	110.2	49%	0.491	57%	0.571	S	S	.	*			trans	-94.5	70.8	-171.5	-165	-177.1	175.5	-162.4	0	111	F268 T272 S273	F268-K270 PolarHBondContact O-N 3.05Å; K270-T272 PolarHBondContact O-N 2.79Å; K270-S273 PolarHBondContact O-N 2.7Å
271	W	34.5	Very low	29.1	Very low	91 Å²	91	105.9 Å²	105.9	35%	0.345	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-52.8	-13.5	-174.7	-79	94.4	0	0	0	117	Y269 T469 Y571 L867	Y269-W271 PolarHBondContact O-N 2.85Å; W271-T469 HydrophobicContact CG-CG2 4.49Å; W271-Y571 HydrophobicContact CH2-CE1 4.19Å; W271-Y571 AromaticContact CZ3-CE1 3.8Å; W271-Y571 HydrophobicContact CZ3-CE1 3.8Å; W271-L867 HydrophobicContact CH2-CD1 4.43Å; W271-L867 HydrophobicContact CH2-CD2 3.78Å; W271-L867 HydrophobicContact CZ2-CD2 4.29Å
272	T	33.1	Very low	29	Very low	18 Å²	18	105.9 Å²	105.9	11%	0.11	57%	0.567	C	S	.	*	T	Hydrogen-bonded Turn	trans	-105.4	23.8	178.6	52.1	0	0	0	0	113.4	K270 V489 A521 T523	K270-T272 PolarHBondContact O-N 2.79Å; T272-V489 HydrophobicContact CG2-CG1 4.28Å; T272-V489 HydrophobicContact CG2-CG2 3.78Å; T272-A521 WeakPolarHBondContact O-CB 3.42Å; T272-T523 HydrophobicContact CG2-CG2 3.9Å; T272-T523 VanDerWaalsContact OG1-CG2 3.23Å; T272-T523 WeakPolarHBondContact OG1-CG2 3.28Å
273	S	26.9	Very low	29.1	Very low	23 Å²	23	104.8 Å²	104.8	16%	0.161	56%	0.564	C	S	.	*			trans	-154.1	101.7	-174.9	-163.9	0	0	0	0	113.6	K270 N275 T276	K270-S273 PolarHBondContact O-N 2.7Å; S273-N275 PolarHBondContact O-N 3.45Å; S273-T276 PolarHBondContact O-N 2.77Å; S273-T276 PolarHBondContact O-OG1 3.16Å
274	F	31.6	Very low	29	Very low	100 Å²	100	102.6 Å²	102.6	44%	0.439	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-51.2	-38.5	174.1	-170.9	-94.1	0	0	0	112.5	T276 F277 R498 E518	F274-T276 PolarHBondContact O-N 3.06Å; F274-F277 PolarHBondContact O-N 2.93Å; F274-R498 HydrophobicContact CD1-CG 4.41Å; F274-R498 HydrophobicContact CE1-CB 4.3Å; F274-R498 HydrophobicContact CE1-CG 3.81Å; F274-R498 HydrophobicContact CZ-CG 4.47Å; F274-E518 WeakPolarHBondContact CD1-OE1 3.31Å
275	N	33.5	Very low	29.2	Very low	98 Å²	98	98.7 Å²	98.7	52%	0.524	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-59.3	12.5	177.8	-76.2	-83.9	0	0	0	116.8	S273 E518	S273-N275 PolarHBondContact O-N 3.45Å; N275-E518 PolarHBondContact ND2-OE2 3.07Å
276	T	34	Very low	29.5	Very low	72 Å²	72	92.1 Å²	92.1	44%	0.442	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-122.4	-1.1	179.1	-15.1	0	0	0	0	113.9	S273 F274	S273-T276 PolarHBondContact O-N 2.77Å; S273-T276 PolarHBondContact O-OG1 3.16Å; F274-T276 PolarHBondContact O-N 3.06Å
277	F	30.6	Very low	29.8	Very low	110 Å²	110	93.3 Å²	93.3	48%	0.482	52%	0.52	S	S	.	.			trans	-100.5	3.6	-178.4	-116.9	-105.9	0	0	0	114.3	F274 Q279 L280	F274-F277 PolarHBondContact O-N 2.93Å; F277-Q279 PolarHBondContact O-N 2.81Å; F277-L280 HydrophobicContact CD1-CD1 3.94Å; F277-L280 HydrophobicContact CD1-CG 4.46Å; F277-L280 HydrophobicContact CE1-CD1 3.6Å; F277-L280 HydrophobicContact CE1-CG 4.4Å; F277-L280 PolarHBondContact O-N 2.81Å
278	S	29.6	Very low	30.2	Very low	89 Å²	89	98.1 Å²	98.1	62%	0.622	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	24.9	-175.4	47.9	0	0	0	0	115.6
279	Q	28.8	Very low	30.5	Very low	189 Å²	189	98.5 Å²	98.5	88%	0.883	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	-0.4	175.1	-70.6	-168.1	-15.9	0	0	114.4	F277	F277-Q279 PolarHBondContact O-N 2.81Å
280	L	29.7	Very low	30.4	Very low	91 Å²	91	96.1 Å²	96.1	48%	0.476	55%	0.548	S	S	.	.	S	Bend	trans	-75.6	140.8	156.7	-70.2	-175.9	0	0	0	109.1	F277	F277-L280 HydrophobicContact CD1-CD1 3.94Å; F277-L280 HydrophobicContact CD1-CG 4.46Å; F277-L280 HydrophobicContact CE1-CD1 3.6Å; F277-L280 HydrophobicContact CE1-CG 4.4Å; F277-L280 PolarHBondContact O-N 2.81Å
281	P	25.2	Very low	30.6	Very low	92 Å²	92	100.4 Å²	100.4	60%	0.597	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-55.2	144.3	166.9	-22.2	33.1	0	0	0	110.2	S283	P281-S283 PolarHBondContact O-N 3.34Å
282	S	26.2	Very low	30.4	Very low	108 Å²	108	105.3 Å²	105.3	76%	0.755	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-47.5	133.6	165.3	49.1	0	0	0	0	109.6	E284	S282-E284 PolarHBondContact O-N 3.04Å
283	S	27.1	Very low	30.3	Very low	97 Å²	97	109 Å²	109	68%	0.678	63%	0.626	S	S	*	*			trans	-56.6	113.9	-177.2	52	0	0	0	0	110.4	P281 S285	P281-S283 PolarHBondContact O-N 3.34Å; S283-S285 PolarHBondContact O-N 3.14Å; S283-S285 PolarHBondContact O-OG 3.19Å; S283-S285 VanDerWaalsContact O-OG 3.13Å; S283-S285 PolarHBondContact OG-OG 3.37Å
284	E	26.5	Very low	30.5	Very low	90 Å²	90	116.6 Å²	116.6	42%	0.421	66%	0.659	S	S	.	*			trans	-71	33.1	174	-66.5	170.7	-149.9	0	0	112.5	S282 G286 R713 K800	S282-E284 PolarHBondContact O-N 3.04Å; E284-G286 PolarHBondContact O-N 2.7Å; E284-R713 VanDerWaalsContact CB-NH1 3.32Å; E284-R713 VanDerWaalsContact O-CZ 3.29Å; E284-R713 PolarHBondContact O-NE 2.69Å; E284-R713 PolarHBondContact O-NH2 3.2Å; E284-R713 IonicContact OE2-CZ 3.51Å; E284-R713 IonicContact OE2-NH1 2.97Å; E284-R713 PolarHBondContact OE2-NH1 3.36Å; E284-R713 IonicContact OE2-NH2 2.79Å; E284-K800 IonicContact OE1-NZ 3.53Å; E284-K800 PolarHBondContact OE1-NZ 2.92Å; E284-K800 IonicContact OE2-NZ 3.59Å
285	S	30	Very low	30.5	Very low	65 Å²	65	118 Å²	118	46%	0.455	68%	0.676	S	S	.	*			trans	-66.7	100.7	151	48.5	0	0	0	0	107.3	S283 F287	S283-S285 PolarHBondContact O-N 3.14Å; S283-S285 PolarHBondContact O-OG 3.19Å; S283-S285 VanDerWaalsContact O-OG 3.13Å; S283-S285 PolarHBondContact OG-OG 3.37Å; S285-F287 PolarHBondContact O-N 3.4Å
286	G	30.8	Very low	30.4	Very low	67 Å²	67	117.1 Å²	117.1	69%	0.691	68%	0.682	S	S	*	*			trans	-68.2	35.2	174.8	0	0	0	0	0	114.1	E284	E284-G286 PolarHBondContact O-N 2.7Å
287	F	32.3	Very low	30.3	Very low	146 Å²	146	119.5 Å²	119.5	64%	0.64	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-13.7	-165.8	-158.3	-95.6	0	0	0	113.3	S285	S285-F287 PolarHBondContact O-N 3.4Å
288	F	33.2	Very low	30.4	Very low	175 Å²	175	120.8 Å²	120.8	77%	0.768	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	10	-177.2	-65.5	-74	0	0	0	113.7
289	S	33.8	Very low	30.7	Very low	114 Å²	114	122.4 Å²	122.4	80%	0.797	71%	0.711	S	S	*	*			trans	-97.5	89.3	173.2	-61	0	0	0	0	109.6
290	G	31.5	Very low	31.2	Very low	70 Å²	70	117.8 Å²	117.8	72%	0.722	71%	0.706	S	S	*	*			trans	-146.2	84.2	-168.4	0	0	0	0	0	116.6
291	K	33.8	Very low	31.9	Very low	204 Å²	204	118.3 Å²	118.3	89%	0.887	71%	0.709	S	S	*	*			trans	-170.4	162	138.4	-107.9	168.9	-176.1	-178.7	0	110.7
292	E	30.5	Very low	33	Very low	193 Å²	193	119.4 Å²	119.4	90%	0.902	72%	0.716	S	S	*	*			trans	62.2	79.1	-175.7	-61.8	176.7	-157.6	0	0	112.5
293	A	30.1	Very low	33.7	Very low	97 Å²	97	122.9 Å²	122.9	80%	0.802	72%	0.718	S	S	*	*			cis	96.4	96.3	33.9	0	0	0	0	0	114.9
294	Q	31.4	Very low	34.6	Very low	181 Å²	181	121 Å²	121	85%	0.846	71%	0.708	S	S	*	*			trans	-167.7	114.5	148.3	-102.3	163.8	-1.9	0	0	106
295	T	32	Very low	35.3	Very low	130 Å²	130	123 Å²	123	80%	0.798	73%	0.728	S	S	*	*				75.3	142.3	105.6	-35.4	0	0	0	0	113.1
296	A	30.3	Very low	35.7	Very low	79 Å²	79	123.8 Å²	123.8	65%	0.653	74%	0.739	S	S	*	*			trans	-109.5	165.6	-164.7	0	0	0	0	0	112.8
297	E	33.1	Very low	36.2	Very low	122 Å²	122	129.5 Å²	129.5	57%	0.57	75%	0.745	S	S	*	*				-176	139.3	112.7	-87.6	-141.4	121.4	0	0	113.2	S299 H346	E297-S299 PolarHBondContact O-N 2.75Å; E297-H346 IonicContact OE2-CD2 2.83Å; E297-H346 IonicContact OE2-CE1 2.8Å; E297-H346 IonicContact OE2-NE2 3.11Å; E297-H346 PolarHBondContact OE2-NE2 3.06Å
298	N	32.5	Very low	36.3	Very low	138 Å²	138	128.8 Å²	128.8	74%	0.738	76%	0.755	S	S	*	*			trans	34.1	77.6	142.2	-51.1	-34.8	0	0	0	120.4	A300	N298-A300 PolarHBondContact O-N 3.11Å
299	S	35.8	Very low	36.7	Very low	122 Å²	122	128.9 Å²	128.9	85%	0.853	76%	0.758	S	S	*	*			trans	-82.7	107.1	154.1	62.4	0	0	0	0	110.6	E297	E297-S299 PolarHBondContact O-N 2.75Å
300	A	39.7	Very low	37	Very low	93 Å²	93	130 Å²	130	77%	0.769	76%	0.755	S	S	*	*			trans	-68	156.4	171.2	0	0	0	0	0	111.9	N298 P302	N298-A300 PolarHBondContact O-N 3.11Å; A300-P302 WeakPolarHBondContact O-CD 3.48Å
301	D	43.7	Very low	37.2	Very low	101 Å²	101	133.6 Å²	133.6	54%	0.54	76%	0.756	S	S	.	*			trans	-66.7	120.5	-177.4	171.9	18.8	0	0	0	112.2	F303 A304	D301-F303 PolarHBondContact O-N 2.8Å; D301-F303 PolarHBondContact OD1-N 2.77Å; D301-A304 HydrophobicContact CB-CB 4.06Å; D301-A304 PolarHBondContact O-N 3.5Å; D301-A304 PolarHBondContact OD2-N 3.37Å
302	P	49.4	Very low	37.3	Very low	116 Å²	116	134.1 Å²	134.1	75%	0.753	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-4	178.5	30.3	-35.1	0	0	0	114.5	A300	A300-P302 WeakPolarHBondContact O-CD 3.48Å
303	F	39.2	Very low	37.8	Very low	181 Å²	181	129.7 Å²	129.7	79%	0.794	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	10.5	177.1	-64.9	-77.3	0	0	0	114	D301	D301-F303 PolarHBondContact O-N 2.8Å; D301-F303 PolarHBondContact OD1-N 2.77Å
304	A	45.9	Very low	38.3	Very low	57 Å²	57	130.1 Å²	130.1	47%	0.471	75%	0.746	S	S	.	*			trans	-64.3	132.1	176.6	0	0	0	0	0	111.3	D301 A306	D301-A304 HydrophobicContact CB-CB 4.06Å; D301-A304 PolarHBondContact O-N 3.5Å; D301-A304 PolarHBondContact OD2-N 3.37Å; A304-A306 PolarHBondContact O-N 3.34Å
305	P	42.7	Very low	38.5	Very low	131 Å²	131	127.9 Å²	127.9	85%	0.851	74%	0.744	S	S	*	*			trans	-71.9	98.6	-178.1	28	-34.2	0	0	0	111.4
306	A	38.3	Very low	38.7	Very low	82 Å²	82	129.6 Å²	129.6	68%	0.678	75%	0.748	S	S	*	*			trans	-61.8	141.6	171.8	0	0	0	0	0	111.4	A304	A304-A306 PolarHBondContact O-N 3.34Å
307	K	40.9	Very low	39.2	Very low	187 Å²	187	132.2 Å²	132.2	81%	0.813	76%	0.756	S	S	*	*			trans	-69.2	138.7	-178.6	-65.4	175.2	-177.3	172.7	0	110.7	E309	K307-E309 PolarHBondContact O-N 3.38Å
308	P	34.8	Very low	39.3	Very low	131 Å²	131	134 Å²	134	85%	0.851	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	55.9	-161.3	37.1	-39.7	0	0	0	114.4
309	E	40.3	Very low	39.9	Very low	177 Å²	177	132.9 Å²	132.9	83%	0.827	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	-31.9	-175.8	-65	-171.1	174.7	0	0	116.9	K307	K307-E309 PolarHBondContact O-N 3.38Å
310	D	40.8	Very low	40.4	Very low	137 Å²	137	131.5 Å²	131.5	73%	0.733	76%	0.762	S	S	*	*	S	Bend	trans	-105.8	-10.2	-165.2	-77.8	-57.2	0	0	0	118.5	F312	D310-F312 VanDerWaalsContact C-N 3.34Å; D310-F312 PolarHBondContact O-N 3.29Å
311	I	36.5	Very low	40.9	Very low	146 Å²	146	131.8 Å²	131.8	75%	0.749	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-75.1	-15.2	-164	-65.8	177	0	0	0	114.5	S313	I311-S313 VanDerWaalsContact C-N 3.27Å; I311-S313 PolarHBondContact O-N 2.98Å
312	F	36.2	Very low	41.4	Very low	216 Å²	216	132.3 Å²	132.3	95%	0.947	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-78.8	2	-170.4	-130.2	-89.3	0	0	0	115.9	D310	D310-F312 VanDerWaalsContact C-N 3.34Å; D310-F312 PolarHBondContact O-N 3.29Å
313	S	40.1	Very low	41.1	Very low	100 Å²	100	135 Å²	135	70%	0.699	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-108.3	-10.2	-159.6	-57.7	0	0	0	0	116.6	I311	I311-S313 VanDerWaalsContact C-N 3.27Å; I311-S313 PolarHBondContact O-N 2.98Å
314	S	40	Very low	42.3	Very low	106 Å²	106	133.4 Å²	133.4	74%	0.741	76%	0.755	S	S	*	*	S	Bend	trans	-121.4	4.1	-158.4	-56.8	0	0	0	0	117.1
315	V	37	Very low	42.5	Very low	133 Å²	133	137.3 Å²	137.3	81%	0.806	77%	0.773	S	S	*	*			trans	-111.2	48.6	-174.2	-163.2	0	0	0	0	112.1
316	L	34.8	Very low	43.5	Very low	166 Å²	166	134.4 Å²	134.4	87%	0.869	75%	0.752	S	S	*	*			trans	-134.4	38.7	-179	-74.2	178.6	0	0	0	114.4
317	T	40.7	Very low	45	Very low	135 Å²	135	134.6 Å²	134.6	83%	0.828	74%	0.742	S	S	*	*			trans	-136.8	70.3	169.8	-43.7	0	0	0	0	111.3
318	M	37.2	Very low	45.7	Very low	160 Å²	160	130 Å²	130	79%	0.788	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-74.4	129.6	171.2	-72.5	-65.8	-66.8	0	0	110.7
319	P	44.5	Very low	47.5	Very low	113 Å²	113	130.6 Å²	130.6	73%	0.734	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-62.9	168.8	162.3	-19.3	33.3	0	0	0	111.8
320	A	45.2	Very low	49.3	Very low	93 Å²	93	128.7 Å²	128.7	77%	0.769	71%	0.712	S	S	*	*	S	Bend	trans	-73	152.7	-179.2	0	0	0	0	0	113.1
321	D	51.7	Low	50.8	Low	100 Å²	100	127 Å²	127	54%	0.535	70%	0.701	S	S	.	*			trans	57.7	99.3	178.8	-153.8	-17.4	0	0	0	117.4	F323	D321-F323 PolarHBondContact O-N 2.87Å; D321-F323 WeakPolarHBondContact OD1-CB 3.5Å; D321-F323 PolarHBondContact OD1-N 3.11Å
322	P	54.3	Low	52.3	Low	111 Å²	111	123.6 Å²	123.6	72%	0.721	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	5.2	174.1	33.9	-35.8	0	0	0	114.3
323	F	42.2	Very low	54.2	Low	173 Å²	173	117.1 Å²	117.1	76%	0.759	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	5.2	178.1	-61.6	-77.7	0	0	0	114.3	D321 V325	D321-F323 PolarHBondContact O-N 2.87Å; D321-F323 WeakPolarHBondContact OD1-CB 3.5Å; D321-F323 PolarHBondContact OD1-N 3.11Å; F323-V325 PolarHBondContact O-N 2.86Å; F323-V325 VanDerWaalsContact O-N 3.07Å
324	E	64.4	Low	56.1	Low	147 Å²	147	115 Å²	115	69%	0.687	65%	0.651	S	S	*	*			trans	-67.6	109.3	174.7	-171.2	170.8	-160.5	0	0	110.7	V326	E324-V326 VanDerWaalsContact C-N 3.32Å; E324-V326 PolarHBondContact O-N 3.05Å
325	V	50.4	Low	57.6	Low	140 Å²	140	112.8 Å²	112.8	85%	0.848	64%	0.639	S	S	*	*			trans	-75.4	85.5	178.3	-176.7	0	0	0	0	109.3	F323 D327	F323-V325 PolarHBondContact O-N 2.86Å; F323-V325 VanDerWaalsContact O-N 3.07Å; V325-D327 PolarHBondContact O-N 3.22Å
326	V	64.2	Low	59.4	Low	69 Å²	69	112 Å²	112	42%	0.418	63%	0.625	S	S	.	*			trans	-66.2	126	174.4	-175.5	0	0	0	0	109.8	E324 K330 I331	E324-V326 VanDerWaalsContact C-N 3.32Å; E324-V326 PolarHBondContact O-N 3.05Å; V326-K330 HydrophobicContact CG1-CB 4.16Å; V326-I331 HydrophobicContact CB-CD1 4.21Å; V326-I331 HydrophobicContact CB-CG1 4.18Å; V326-I331 HydrophobicContact CG1-CD1 4.36Å; V326-I331 HydrophobicContact CG1-CG1 3.79Å
327	D	70.1	Confident	61.5	Low	87 Å²	87	110.7 Å²	110.7	47%	0.465	62%	0.615	S	S	.	*			trans	-50.3	122.6	177.4	-152.6	-20.8	0	0	0	111.2	V325 E329 K330 I331	V325-D327 PolarHBondContact O-N 3.22Å; D327-E329 PolarHBondContact O-N 2.84Å; D327-E329 VanDerWaalsContact O-N 3.11Å; D327-K330 HydrophobicContact CB-CB 4.5Å; D327-K330 HydrophobicContact CB-CD 4.06Å; D327-K330 HydrophobicContact CB-CG 4.1Å; D327-K330 WeakPolarHBondContact O-CA 3.19Å; D327-K330 WeakPolarHBondContact O-CB 3.11Å; D327-K330 PolarHBondContact O-N 3.49Å; D327-I331 PolarHBondContact O-N 3.45Å
328	P	54.6	Low	63.3	Low	90 Å²	90	107.7 Å²	107.7	58%	0.584	59%	0.593	S	S	*	*	H	α-helix	trans	-60.4	-28.1	-171.1	21.1	-33.6	0	0	0	113.5	K330 I331 V332	P328-K330 VanDerWaalsContact C-N 3.3Å; P328-K330 PolarHBondContact O-N 3.42Å; P328-I331 PolarHBondContact O-N 3.17Å; P328-V332 WeakPolarHBondContact O-CG2 3.18Å; P328-V332 PolarHBondContact O-N 2.88Å
329	E	72.5	Confident	64.9	Low	143 Å²	143	102.4 Å²	102.4	67%	0.668	58%	0.576	S	S	*	*	H	α-helix	trans	-64.1	-34	172.9	-64.7	-163.8	166.2	0	0	112.5	D327 N333	D327-E329 PolarHBondContact O-N 2.84Å; D327-E329 VanDerWaalsContact O-N 3.11Å; E329-N333 VanDerWaalsContact O-CB 3.24Å; E329-N333 WeakPolarHBondContact O-CB 3.29Å; E329-N333 PolarHBondContact O-N 3.49Å; E329-N333 PolarHBondContact O-ND2 2.94Å
330	K	78	Confident	66.5	Low	137 Å²	137	103.2 Å²	103.2	60%	0.596	57%	0.57	S	S	*	*	H	α-helix	trans	-69.4	-40.1	175.1	-66.5	179.8	-174.1	175.1	0	111.6	V326 D327 P328 N333 A334	V326-K330 HydrophobicContact CG1-CB 4.16Å; D327-K330 HydrophobicContact CB-CB 4.5Å; D327-K330 HydrophobicContact CB-CD 4.06Å; D327-K330 HydrophobicContact CB-CG 4.1Å; D327-K330 WeakPolarHBondContact O-CA 3.19Å; D327-K330 WeakPolarHBondContact O-CB 3.11Å; D327-K330 PolarHBondContact O-N 3.49Å; P328-K330 VanDerWaalsContact C-N 3.3Å; P328-K330 PolarHBondContact O-N 3.42Å; K330-N333 PolarHBondContact O-N 3Å; K330-A334 VanDerWaalsContact O-CB 3.28Å; K330-A334 WeakPolarHBondContact O-CB 3.36Å; K330-A334 PolarHBondContact O-N 3.04Å
331	I	72.6	Confident	68.1	Low	101 Å²	101	106.7 Å²	106.7	52%	0.518	56%	0.563	S	S	.	*	H	α-helix	trans	-62.1	-47.7	175.7	-57.2	175.5	0	0	0	109.8	V326 D327 P328 N333 A334 A335	V326-I331 HydrophobicContact CB-CD1 4.21Å; V326-I331 HydrophobicContact CB-CG1 4.18Å; V326-I331 HydrophobicContact CG1-CD1 4.36Å; V326-I331 HydrophobicContact CG1-CG1 3.79Å; D327-I331 PolarHBondContact O-N 3.45Å; P328-I331 PolarHBondContact O-N 3.17Å; I331-N333 PolarHBondContact O-N 2.89Å; I331-A334 PolarHBondContact O-N 3.24Å; I331-A335 WeakPolarHBondContact O-CB 3.18Å; I331-A335 PolarHBondContact O-N 2.86Å
332	V	67.5	Low	69.2	Low	76 Å²	76	108.7 Å²	108.7	46%	0.461	56%	0.563	S	S	.	*	H	α-helix	trans	-65.1	-38.2	178.4	170	0	0	0	0	112.2	P328 K336	P328-V332 WeakPolarHBondContact O-CG2 3.18Å; P328-V332 PolarHBondContact O-N 2.88Å; V332-K336 HydrophobicContact CG1-CD 4.33Å; V332-K336 VanDerWaalsContact O-CG 3.3Å; V332-K336 WeakPolarHBondContact O-CG 3.34Å; V332-K336 PolarHBondContact O-N 3.45Å
333	N	76.5	Confident	70.1	Confident	79 Å²	79	108.8 Å²	108.8	42%	0.422	56%	0.557	S	S	.	*	H	α-helix	trans	-74.3	-38.6	178.8	-69.8	-21.8	0	0	0	112.3	E329 K330 I331 A335 K336 E337	E329-N333 VanDerWaalsContact O-CB 3.24Å; E329-N333 WeakPolarHBondContact O-CB 3.29Å; E329-N333 PolarHBondContact O-N 3.49Å; E329-N333 PolarHBondContact O-ND2 2.94Å; K330-N333 PolarHBondContact O-N 3Å; I331-N333 PolarHBondContact O-N 2.89Å; N333-A335 VanDerWaalsContact C-N 3.35Å; N333-A335 PolarHBondContact O-N 3.1Å; N333-K336 WeakPolarHBondContact O-CB 3.45Å; N333-K336 PolarHBondContact O-N 2.99Å; N333-K336 VanDerWaalsContact O-N 3.16Å; N333-E337 PolarHBondContact O-N 2.66Å
334	A	79.4	Confident	71.7	Confident	55 Å²	55	102.9 Å²	102.9	46%	0.455	54%	0.54	S	S	.	.	H	α-helix	trans	-61.8	-42.2	172	0	0	0	0	0	111.7	K330 I331 K336 E337 D338	K330-A334 VanDerWaalsContact O-CB 3.28Å; K330-A334 WeakPolarHBondContact O-CB 3.36Å; K330-A334 PolarHBondContact O-N 3.04Å; I331-A334 PolarHBondContact O-N 3.24Å; A334-K336 VanDerWaalsContact C-N 3.29Å; A334-K336 PolarHBondContact O-N 2.7Å; A334-E337 PolarHBondContact O-N 2.83Å; A334-D338 VanDerWaalsContact O-CB 3.31Å; A334-D338 WeakPolarHBondContact O-CB 3.25Å; A334-D338 PolarHBondContact O-N 3.25Å
335	A	71.3	Confident	72.2	Confident	60 Å²	60	101.4 Å²	101.4	50%	0.496	53%	0.533	S	S	.	.	H	α-helix	trans	-63.5	-33	174.1	0	0	0	0	0	112.9	I331 N333 A339	I331-A335 WeakPolarHBondContact O-CB 3.18Å; I331-A335 PolarHBondContact O-N 2.86Å; N333-A335 VanDerWaalsContact C-N 3.35Å; N333-A335 PolarHBondContact O-N 3.1Å; A335-A339 VanDerWaalsContact O-CB 3.3Å; A335-A339 WeakPolarHBondContact O-CB 3.36Å; A335-A339 PolarHBondContact O-N 3.25Å
336	K	75.5	Confident	72.9	Confident	118 Å²	118	98 Å²	98	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-70.6	-44.3	173.1	-75.2	168.4	-176.9	169.2	0	112.5	V332 N333 A334 D338 A339 Q340	V332-K336 HydrophobicContact CG1-CD 4.33Å; V332-K336 VanDerWaalsContact O-CG 3.3Å; V332-K336 WeakPolarHBondContact O-CG 3.34Å; V332-K336 PolarHBondContact O-N 3.45Å; N333-K336 WeakPolarHBondContact O-CB 3.45Å; N333-K336 PolarHBondContact O-N 2.99Å; N333-K336 VanDerWaalsContact O-N 3.16Å; A334-K336 VanDerWaalsContact C-N 3.29Å; A334-K336 PolarHBondContact O-N 2.7Å; K336-D338 VanDerWaalsContact C-N 3.34Å; K336-A339 PolarHBondContact O-N 2.79Å; K336-Q340 WeakPolarHBondContact O-CB 3.35Å; K336-Q340 VanDerWaalsContact O-CG 3.32Å; K336-Q340 WeakPolarHBondContact O-CG 3.49Å; K336-Q340 PolarHBondContact O-N 2.81Å
337	E	79.5	Confident	73	Confident	137 Å²	137	101.4 Å²	101.4	64%	0.64	52%	0.519	S	S	*	.	H	α-helix	trans	-63.8	-40.1	176.7	-74.5	-169.3	126.4	0	0	111.8	N333 A334 Q340 R341	N333-E337 PolarHBondContact O-N 2.66Å; A334-E337 PolarHBondContact O-N 2.83Å; E337-Q340 PolarHBondContact O-N 3.11Å; E337-R341 WeakPolarHBondContact O-CB 3.39Å; E337-R341 PolarHBondContact O-N 2.83Å
338	D	77.8	Confident	73	Confident	72 Å²	72	101.6 Å²	101.6	39%	0.385	52%	0.523	S	S	.	.	H	α-helix	trans	-67.1	-38.6	176.7	-172.5	51	0	0	0	111.9	A334 K336 R342	A334-D338 VanDerWaalsContact O-CB 3.31Å; A334-D338 WeakPolarHBondContact O-CB 3.25Å; A334-D338 PolarHBondContact O-N 3.25Å; K336-D338 VanDerWaalsContact C-N 3.34Å; D338-R342 VanDerWaalsContact CG-NH1 3.28Å; D338-R342 PolarHBondContact O-N 2.72Å; D338-R342 IonicContact OD1-CZ 2.84Å; D338-R342 IonicContact OD1-NH1 2.81Å; D338-R342 IonicContact OD1-NH2 3.52Å; D338-R342 PolarHBondContact OD1-NH2 3.46Å; D338-R342 IonicContact OD2-CZ 3.7Å; D338-R342 IonicContact OD2-NH1 3.26Å; D338-R342 PolarHBondContact OD2-NH1 2.8Å; D338-R342 IonicContact OD2-NH2 2.86Å; D338-R342 PolarHBondContact OD2-NH2 3.32Å
339	A	71.3	Confident	73.1	Confident	50 Å²	50	100.8 Å²	100.8	41%	0.413	52%	0.517	S	S	.	.	H	α-helix	trans	-66.8	-42.1	171.1	0	0	0	0	0	112.7	A335 K336 R341 R342 L343	A335-A339 VanDerWaalsContact O-CB 3.3Å; A335-A339 WeakPolarHBondContact O-CB 3.36Å; A335-A339 PolarHBondContact O-N 3.25Å; K336-A339 PolarHBondContact O-N 2.79Å; A339-R341 VanDerWaalsContact C-N 3.35Å; A339-R342 PolarHBondContact O-N 3.26Å; A339-L343 PolarHBondContact O-N 2.76Å; A339-L343 VanDerWaalsContact O-N 3.07Å
340	Q	78.3	Confident	72	Confident	130 Å²	130	97.2 Å²	97.2	61%	0.607	50%	0.502	S	S	*	.	H	α-helix	trans	-65.1	-36.5	176.1	-78	-179.7	-37.7	0	0	112.2	K336 E337 L343 A344	K336-Q340 WeakPolarHBondContact O-CB 3.35Å; K336-Q340 VanDerWaalsContact O-CG 3.32Å; K336-Q340 WeakPolarHBondContact O-CG 3.49Å; K336-Q340 PolarHBondContact O-N 2.81Å; E337-Q340 PolarHBondContact O-N 3.11Å; Q340-L343 PolarHBondContact O-N 3.19Å; Q340-A344 PolarHBondContact O-N 2.88Å
341	R	78.7	Confident	70.7	Confident	165 Å²	165	96.9 Å²	96.9	62%	0.623	51%	0.507	S	S	*	.	H	α-helix	trans	-65.1	-44.6	175.3	-171.4	177.6	-62	175.2	4.5	111.7	E337 A339 L343 A344 E345	E337-R341 WeakPolarHBondContact O-CB 3.39Å; E337-R341 PolarHBondContact O-N 2.83Å; A339-R341 VanDerWaalsContact C-N 3.35Å; R341-L343 VanDerWaalsContact C-N 3.32Å; R341-L343 PolarHBondContact O-N 2.83Å; R341-A344 PolarHBondContact O-N 3.37Å; R341-E345 HydrophobicContact CG-CG 4.43Å; R341-E345 WeakPolarHBondContact CG-OE1 3.44Å; R341-E345 WeakPolarHBondContact O-CB 3.49Å; R341-E345 WeakPolarHBondContact O-CG 3.28Å; R341-E345 PolarHBondContact O-N 2.87Å
342	R	74.3	Confident	69.8	Low	142 Å²	142	97.8 Å²	97.8	54%	0.536	51%	0.511	S	S	.	.	H	α-helix	trans	-64.5	-34.9	176.2	-68.9	-166.4	-166.2	84.4	15.7	113.2	D338 A339 H346	D338-R342 VanDerWaalsContact CG-NH1 3.28Å; D338-R342 PolarHBondContact O-N 2.72Å; D338-R342 IonicContact OD1-CZ 2.84Å; D338-R342 IonicContact OD1-NH1 2.81Å; D338-R342 IonicContact OD1-NH2 3.52Å; D338-R342 PolarHBondContact OD1-NH2 3.46Å; D338-R342 IonicContact OD2-CZ 3.7Å; D338-R342 IonicContact OD2-NH1 3.26Å; D338-R342 PolarHBondContact OD2-NH1 2.8Å; D338-R342 IonicContact OD2-NH2 2.86Å; D338-R342 PolarHBondContact OD2-NH2 3.32Å; A339-R342 PolarHBondContact O-N 3.26Å; R342-H346 WeakPolarHBondContact O-CB 3.43Å; R342-H346 PolarHBondContact O-N 2.95Å
343	L	73	Confident	68.9	Low	114 Å²	114	99.3 Å²	99.3	60%	0.597	52%	0.517	S	S	*	.	H	α-helix	trans	-62.8	-47	172	-78.8	163.9	0	0	0	111.6	A339 Q340 R341 E345 H346 E347	A339-L343 PolarHBondContact O-N 2.76Å; A339-L343 VanDerWaalsContact O-N 3.07Å; Q340-L343 PolarHBondContact O-N 3.19Å; R341-L343 VanDerWaalsContact C-N 3.32Å; R341-L343 PolarHBondContact O-N 2.83Å; L343-E345 PolarHBondContact O-N 2.82Å; L343-H346 PolarHBondContact O-N 2.85Å; L343-E347 PolarHBondContact O-N 2.73Å
344	A	76	Confident	67.2	Low	48 Å²	48	103.6 Å²	103.6	40%	0.397	53%	0.532	S	S	.	.	H	α-helix	trans	-66.2	-34.4	178.1	0	0	0	0	0	113.3	Q340 R341 H346 V348	Q340-A344 PolarHBondContact O-N 2.88Å; R341-A344 PolarHBondContact O-N 3.37Å; A344-H346 VanDerWaalsContact C-N 3.34Å; A344-V348 WeakPolarHBondContact O-CG2 3.37Å; A344-V348 PolarHBondContact O-N 3.09Å
345	E	73.9	Confident	65.3	Low	116 Å²	116	109.8 Å²	109.8	54%	0.542	55%	0.549	S	S	.	.	H	α-helix	trans	-69.1	-30.9	173.8	-73.5	170.3	-175.8	0	0	112.1	R341 L343 T349	R341-E345 HydrophobicContact CG-CG 4.43Å; R341-E345 WeakPolarHBondContact CG-OE1 3.44Å; R341-E345 WeakPolarHBondContact O-CB 3.49Å; R341-E345 WeakPolarHBondContact O-CG 3.28Å; R341-E345 PolarHBondContact O-N 2.87Å; L343-E345 PolarHBondContact O-N 2.82Å; E345-T349 PolarHBondContact O-N 2.89Å; E345-T349 PolarHBondContact O-OG1 3.46Å
346	H	66.6	Low	63.9	Low	69 Å²	69	111 Å²	111	32%	0.319	56%	0.559	S	S	.	*	H	α-helix	trans	-73.9	-47.9	174	-168	-102.4	0	0	0	111.9	E297 R342 L343 A344 V348 T349 D350	E297-H346 IonicContact OE2-CD2 2.83Å; E297-H346 IonicContact OE2-CE1 2.8Å; E297-H346 IonicContact OE2-NE2 3.11Å; E297-H346 PolarHBondContact OE2-NE2 3.06Å; R342-H346 WeakPolarHBondContact O-CB 3.43Å; R342-H346 PolarHBondContact O-N 2.95Å; L343-H346 PolarHBondContact O-N 2.85Å; A344-H346 VanDerWaalsContact C-N 3.34Å; H346-V348 VanDerWaalsContact C-N 3.32Å; H346-V348 PolarHBondContact O-N 3.06Å; H346-T349 WeakPolarHBondContact O-CA 3.31Å; H346-T349 WeakPolarHBondContact O-CB 3.29Å; H346-T349 PolarHBondContact O-N 3.08Å; H346-D350 IonicContact CE1-OD2 3.7Å; H346-D350 PolarHBondContact O-N 2.84Å; H346-D350 VanDerWaalsContact O-N 3.1Å
347	E	66.3	Low	61.9	Low	140 Å²	140	110.4 Å²	110.4	65%	0.654	57%	0.57	S	S	*	*	H	α-helix	trans	-54.1	-44.9	175.9	-74.7	-174.8	137.3	0	0	112.4	L343 T349 D350 D351	L343-E347 PolarHBondContact O-N 2.73Å; E347-T349 PolarHBondContact O-N 2.93Å; E347-D350 PolarHBondContact O-N 2.84Å; E347-D351 PolarHBondContact O-N 2.94Å
348	V	68.6	Low	59.5	Low	91 Å²	91	109.5 Å²	109.5	55%	0.552	58%	0.577	S	S	*	*	H	α-helix	trans	-66.2	-24.6	177.7	171.6	0	0	0	0	112.6	A344 H346 I352	A344-V348 WeakPolarHBondContact O-CG2 3.37Å; A344-V348 PolarHBondContact O-N 3.09Å; H346-V348 VanDerWaalsContact C-N 3.32Å; H346-V348 PolarHBondContact O-N 3.06Å; V348-I352 HydrophobicContact CG1-CD1 4.39Å; V348-I352 WeakPolarHBondContact O-CD1 3.43Å; V348-I352 WeakPolarHBondContact O-CG1 3.39Å
349	T	57.6	Low	57.5	Low	74 Å²	74	115.4 Å²	115.4	45%	0.454	60%	0.603	S	S	.	*	H	α-helix	trans	-81.4	-36.6	179.3	-57.3	0	0	0	0	111.9	E345 H346 E347 N353	E345-T349 PolarHBondContact O-N 2.89Å; E345-T349 PolarHBondContact O-OG1 3.46Å; H346-T349 WeakPolarHBondContact O-CA 3.31Å; H346-T349 WeakPolarHBondContact O-CB 3.29Å; H346-T349 PolarHBondContact O-N 3.08Å; E347-T349 PolarHBondContact O-N 2.93Å; T349-N353 PolarHBondContact O-N 2.75Å; T349-N353 PolarHBondContact O-ND2 3.23Å
350	D	50.3	Low	55.6	Low	68 Å²	68	118.9 Å²	118.9	36%	0.364	62%	0.621	S	S	.	*	H	α-helix	trans	-69	-42.6	176.5	-87.5	-1.9	0	0	0	112.4	H346 E347 I352 N353 F354	H346-D350 IonicContact CE1-OD2 3.7Å; H346-D350 PolarHBondContact O-N 2.84Å; H346-D350 VanDerWaalsContact O-N 3.1Å; E347-D350 PolarHBondContact O-N 2.84Å; D350-I352 PolarHBondContact O-N 3.12Å; D350-N353 PolarHBondContact O-N 3.24Å; D350-N353 VanDerWaalsContact O-N 3.11Å; D350-F354 PolarHBondContact O-N 3.34Å
351	D	49.1	Very low	53.5	Low	130 Å²	130	119.7 Å²	119.7	70%	0.695	64%	0.635	S	S	*	*	H	α-helix	trans	-57.5	-34.9	177.5	-100.9	-6	0	0	0	112.8	E347	E347-D351 PolarHBondContact O-N 2.94Å
352	I	54.8	Low	51.3	Low	120 Å²	120	117.5 Å²	117.5	62%	0.615	64%	0.64	S	S	*	*	H	α-helix	trans	-73.1	-35.4	179.1	-68.5	171.1	0	0	0	111.5	V348 D350	V348-I352 HydrophobicContact CG1-CD1 4.39Å; V348-I352 WeakPolarHBondContact O-CD1 3.43Å; V348-I352 WeakPolarHBondContact O-CG1 3.39Å; D350-I352 PolarHBondContact O-N 3.12Å
353	N	48.7	Very low	49.5	Very low	107 Å²	107	117.4 Å²	117.4	57%	0.572	65%	0.65	S	S	*	*	H	α-helix	trans	-79.9	-30.9	-178.4	-74.2	-50.3	0	0	0	113	T349 D350 F355	T349-N353 PolarHBondContact O-N 2.75Å; T349-N353 PolarHBondContact O-ND2 3.23Å; D350-N353 PolarHBondContact O-N 3.24Å; D350-N353 VanDerWaalsContact O-N 3.11Å; N353-F355 VanDerWaalsContact C-N 3.31Å; N353-F355 PolarHBondContact O-N 2.86Å
354	F	39.5	Very low	47.7	Very low	170 Å²	170	120 Å²	120	75%	0.746	66%	0.659	S	S	*	*	H	α-helix	trans	-65.6	-29.5	-176.9	-171.5	-108.9	0	0	0	113.9	D350	D350-F354 PolarHBondContact O-N 3.34Å
355	F	40.9	Very low	45.8	Very low	184 Å²	184	127 Å²	127	81%	0.807	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-4.1	-172.2	-127.1	-87.4	0	0	0	115.5	N353 S357	N353-F355 VanDerWaalsContact C-N 3.31Å; N353-F355 PolarHBondContact O-N 2.86Å; F355-S357 PolarHBondContact O-N 3.39Å
356	A	40.5	Very low	43.7	Very low	86 Å²	86	130.4 Å²	130.4	71%	0.711	70%	0.699	S	S	*	*	S	Bend	trans	-86.4	-3.6	-165.3	0	0	0	0	0	116
357	S	33.4	Very low	42.1	Very low	105 Å²	105	133.9 Å²	133.9	73%	0.734	73%	0.725	S	S	*	*	S	Bend	trans	-116.6	28.2	-161.3	58.4	0	0	0	0	115.8	F355	F355-S357 PolarHBondContact O-N 3.39Å
358	C	29.5	Very low	40.3	Very low	119 Å²	119	136.8 Å²	136.8	80%	0.804	74%	0.736	S	S	*	*			trans	-138.5	104.9	177.7	-84.5	0	0	0	0	113.9
359	Q	35.4	Very low	38.7	Very low	196 Å²	196	140 Å²	140	92%	0.916	75%	0.75	S	S	*	*			trans	-136.6	128.9	157.7	-76.3	-164.4	-15.2	0	0	110.5
360	P	31.8	Very low	37.5	Very low	123 Å²	123	142.3 Å²	142.3	80%	0.799	77%	0.767	S	S	*	*			trans	-101.1	147.1	-176.8	37	-33	0	0	0	113.5
361	T	35.6	Very low	36.6	Very low	147 Å²	147	143.4 Å²	143.4	90%	0.902	79%	0.785	S	S	*	*			trans	-135.9	135.6	158.9	49.5	0	0	0	0	109.8
362	T	31.8	Very low	35.6	Very low	118 Å²	118	145 Å²	145	72%	0.724	79%	0.794	S	S	*	*			trans	-100.6	150.1	179.5	55.6	0	0	0	0	110.7
363	D	35.8	Very low	34.6	Very low	140 Å²	140	144.3 Å²	144.3	75%	0.749	81%	0.806	S	S	*	*				-178.5	165.6	109.6	-92.7	5.1	0	0	0	113.3
364	H	35.1	Very low	34	Very low	169 Å²	169	144.7 Å²	144.7	78%	0.782	81%	0.812	S	S	*	*			trans	-82.1	149.4	-161.8	-53.6	-97.1	0	0	0	114.8
365	Q	36.1	Very low	33.8	Very low	195 Å²	195	144.6 Å²	144.6	91%	0.911	81%	0.812	S	S	*	*				-169.6	166.5	102.8	-99.6	174.1	29.8	0	0	112.9
366	Q	30.4	Very low	33.5	Very low	187 Å²	187	143.5 Å²	143.5	87%	0.874	81%	0.809	S	S	*	*			trans	-105.5	142.5	-164.9	-62.4	168.5	-32.3	0	0	112.9
367	T	32.6	Very low	33.3	Very low	142 Å²	142	145.1 Å²	145.1	87%	0.871	81%	0.806	S	S	*	*			trans	-154	152.9	143.8	-66.3	0	0	0	0	107.9
368	F	29	Very low	33.2	Very low	201 Å²	201	147 Å²	147	88%	0.882	81%	0.808	S	S	*	*			trans	-79.2	147	-174.4	-80	-117.4	0	0	0	112.9
369	D	34.1	Very low	33.5	Very low	158 Å²	158	148.7 Å²	148.7	85%	0.845	80%	0.802	S	S	*	*			trans	-156.8	154.2	139.6	-109.3	-30.4	0	0	0	111.3	A371	D369-A371 PolarHBondContact O-N 2.9Å
370	P	32.7	Very low	33.4	Very low	124 Å²	124	145.4 Å²	145.4	81%	0.805	80%	0.795	S	S	*	*			trans	-98.1	91.6	-164.8	36.5	-34.2	0	0	0	114.3
371	A	31.2	Very low	33.5	Very low	90 Å²	90	144.3 Å²	144.3	74%	0.744	79%	0.788	S	S	*	*			trans	-142.7	101	169.4	0	0	0	0	0	111.7	D369	D369-A371 PolarHBondContact O-N 2.9Å
372	N	29.7	Very low	33.3	Very low	164 Å²	164	142.2 Å²	142.2	88%	0.877	78%	0.779	S	S	*	*			trans	-155	75.1	173.8	-132.3	-16.7	0	0	0	113
373	A	32.8	Very low	33.4	Very low	105 Å²	105	143.8 Å²	143.8	87%	0.868	78%	0.78	S	S	*	*			trans	-143.2	19	171.6	0	0	0	0	0	112.3	F375	A373-F375 PolarHBondContact O-N 2.9Å
374	T	35.4	Very low	33.4	Very low	116 Å²	116	145.9 Å²	145.9	71%	0.712	79%	0.785	S	S	*	*			trans	-87	102.9	-176.4	0.8	0	0	0	0	110.3	Q376	T374-Q376 PolarHBondContact O-N 2.9Å; T374-Q376 VanDerWaalsContact O-N 3.17Å
375	F	36.3	Very low	33.3	Very low	167 Å²	167	142.5 Å²	142.5	73%	0.732	77%	0.772	S	S	*	*			trans	-70.7	105	164.4	-176.9	-94.9	0	0	0	108	A373 D377	A373-F375 PolarHBondContact O-N 2.9Å; F375-D377 HydrophobicContact CD1-CB 4.16Å; F375-D377 HydrophobicContact CE1-CB 4.18Å; F375-D377 PolarHBondContact O-N 2.95Å
376	Q	34.4	Very low	33.1	Very low	161 Å²	161	140.8 Å²	140.8	75%	0.752	76%	0.764	S	S	*	*			trans	-71.9	95.8	174	-77.2	-175.6	-38.3	0	0	109.4	T374 N378	T374-Q376 PolarHBondContact O-N 2.9Å; T374-Q376 VanDerWaalsContact O-N 3.17Å; Q376-N378 PolarHBondContact O-N 2.87Å; Q376-N378 VanDerWaalsContact O-N 3.11Å
377	D	36.5	Very low	33.2	Very low	121 Å²	121	135.6 Å²	135.6	65%	0.647	75%	0.749	S	S	*	*			trans	-75.2	94.1	173.6	-163.2	12.3	0	0	0	108.9	F375 F379	F375-D377 HydrophobicContact CD1-CB 4.16Å; F375-D377 HydrophobicContact CE1-CB 4.18Å; F375-D377 PolarHBondContact O-N 2.95Å; D377-F379 PolarHBondContact O-N 2.75Å
378	N	31.8	Very low	33.9	Very low	143 Å²	143	134.8 Å²	134.8	77%	0.765	75%	0.746	S	S	*	*			trans	-73.3	38.7	-175.5	-83.9	-9.2	0	0	0	113.3	Q376 V380	Q376-N378 PolarHBondContact O-N 2.87Å; Q376-N378 VanDerWaalsContact O-N 3.11Å; N378-V380 PolarHBondContact O-N 2.88Å
379	F	34.2	Very low	35.3	Very low	156 Å²	156	128.5 Å²	128.5	68%	0.684	73%	0.727	S	S	*	*			trans	-98	63.3	-180	-138.1	-75.5	0	0	0	111.5	D377 P381	D377-F379 PolarHBondContact O-N 2.75Å; F379-P381 VanDerWaalsContact O-CD 3.24Å; F379-P381 WeakPolarHBondContact O-CD 3.37Å
380	V	33.5	Very low	36.7	Very low	127 Å²	127	125.3 Å²	125.3	77%	0.77	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-65.4	118.3	172.3	-179.8	0	0	0	0	109	N378	N378-V380 PolarHBondContact O-N 2.88Å
381	P	33.8	Very low	38.4	Very low	100 Å²	100	123.4 Å²	123.4	65%	0.649	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-69.1	133.8	175.2	-16.6	32.1	0	0	0	110.2	F379 M383	F379-P381 VanDerWaalsContact O-CD 3.24Å; F379-P381 WeakPolarHBondContact O-CD 3.37Å; P381-M383 PolarHBondContact O-N 3Å
382	S	31.9	Very low	40.3	Very low	102 Å²	102	120 Å²	120	71%	0.713	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-61	123.6	171.8	45	0	0	0	0	110.1	H384	S382-H384 PolarHBondContact O-N 2.94Å
383	M	33.4	Very low	42.5	Very low	151 Å²	151	113.5 Å²	113.5	74%	0.744	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	34.8	-165.8	-61.3	-132.6	-67	0	0	115	P381	P381-M383 PolarHBondContact O-N 3Å
384	H	35.7	Very low	44.6	Very low	185 Å²	185	110.4 Å²	110.4	86%	0.856	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.5	7.4	-172.7	-78.4	14.5	0	0	0	114.3	S382	S382-H384 PolarHBondContact O-N 2.94Å
385	D	34.4	Very low	46.4	Very low	97 Å²	97	112.7 Å²	112.7	52%	0.519	61%	0.606	S	S	.	*			trans	-112.9	49.6	-179.1	-167.8	36.1	0	0	0	112.3	S387 R710	D385-S387 VanDerWaalsContact C-N 3.3Å; D385-S387 PolarHBondContact O-N 2.9Å; D385-R710 IonicContact OD1-NH1 3.28Å; D385-R710 IonicContact OD2-CZ 2.86Å; D385-R710 IonicContact OD2-NH1 3.75Å; D385-R710 PolarHBondContact OD2-NH1 2.64Å
386	H	31.7	Very low	48.3	Very low	159 Å²	159	108.6 Å²	108.6	74%	0.736	59%	0.592	S	S	*	*			trans	-87	30.7	-173.3	-74.7	-57.5	0	0	0	115
387	S	31.7	Very low	50.5	Low	79 Å²	79	104.9 Å²	104.9	55%	0.552	58%	0.577	S	S	*	*			trans	-69.6	124.5	162.3	67.4	0	0	0	0	108.9	D385 S389	D385-S387 VanDerWaalsContact C-N 3.3Å; D385-S387 PolarHBondContact O-N 2.9Å; S387-S389 PolarHBondContact O-N 2.88Å
388	P	48.2	Very low	52.5	Low	125 Å²	125	103.4 Å²	103.4	81%	0.812	58%	0.576	S	S	*	*			trans	-65.6	112.2	176.7	26.4	-32.6	0	0	0	108.8
389	S	57.3	Low	54.8	Low	69 Å²	69	102.7 Å²	102.7	48%	0.483	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-56.4	131.8	178.2	62.1	0	0	0	0	109.3	S387	S387-S389 PolarHBondContact O-N 2.88Å
390	P	64.6	Low	57.1	Low	91 Å²	91	101.1 Å²	101.1	59%	0.591	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-56.2	146	-172.5	20.9	-32.9	0	0	0	110.9	R632	P390-R632 VanDerWaalsContact O-CZ 3.32Å; P390-R632 PolarHBondContact O-NH1 3.42Å; P390-R632 PolarHBondContact O-NH2 2.82Å
391	P	68.7	Low	59.6	Low	83 Å²	83	96.3 Å²	96.3	54%	0.539	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-54.4	145	-174.8	21.3	-32.9	0	0	0	111.3	P676	P391-P676 HydrophobicContact CB-CB 4.43Å; P391-P676 HydrophobicContact CB-CG 4.28Å; P391-P676 HydrophobicContact CG-CB 4.04Å; P391-P676 HydrophobicContact CG-CG 4.22Å; P391-P676 WeakPolarHBondContact O-CG 3.48Å
392	L	71	Confident	62	Low	20 Å²	20	97.1 Å²	97.1	11%	0.105	54%	0.538	C	S	.	.	S	Bend	trans	-84.7	-37	179.2	175.6	60.1	0	0	0	112	R632 W633 I634 P676 N843	L392-R632 HydrophobicContact CD2-CB 3.92Å; L392-W633 WeakPolarHBondContact CD2-O 3.46Å; L392-I634 HydrophobicContact CD2-CG1 4.11Å; L392-P676 WeakPolarHBondContact O-CD 3.49Å; L392-N843 HydrophobicContact CD1-CB 4.02Å; L392-N843 WeakPolarHBondContact CD1-ND2 3.13Å
393	F	76	Confident	64.6	Low	26 Å²	26	96.8 Å²	96.8	11%	0.114	53%	0.534	C	S	.	.	S	Bend	trans	-135.8	163.4	-179.2	45.3	-99.3	0	0	0	108.5	E395 R635 R674	F393-E395 HydrophobicContact CE2-CG 4.43Å; F393-R635 HydrophobicContact CE1-CB 4.47Å; F393-R674 CarbonylContact C-O 3.57Å; F393-R674 WeakPolarHBondContact CA-O 3.07Å; F393-R674 VanDerWaalsContact CB-O 3.24Å; F393-R674 WeakPolarHBondContact CB-O 3.49Å
394	E	75.5	Confident	67.1	Low	40 Å²	40	90.2 Å²	90.2	19%	0.187	50%	0.501	C	S	.	.			trans	-75	130.1	166.7	179.8	161.4	-145.2	0	0	110	D396 R635 R674 K677	E394-D396 VanDerWaalsContact C-N 3.3Å; E394-D396 HydrophobicContact CG-CB 4.21Å; E394-D396 PolarHBondContact O-N 2.97Å; E394-R635 PolarHBondContact O-NH1 2.91Å; E394-R635 PolarHBondContact O-NH2 2.87Å; E394-R674 HydrophobicContact CB-CG 4.14Å; E394-R674 PolarHBondContact N-O 3.04Å; E394-K677 VanDerWaalsContact CD-NZ 3.32Å; E394-K677 WeakPolarHBondContact OE1-CD 3.49Å; E394-K677 WeakPolarHBondContact OE1-CE 3.22Å; E394-K677 IonicContact OE1-NZ 3.31Å; E394-K677 PolarHBondContact OE1-NZ 3.36Å; E394-K677 WeakPolarHBondContact OE2-CE 3.46Å; E394-K677 IonicContact OE2-NZ 2.68Å; E394-K677 PolarHBondContact OE2-NZ 3.23Å
395	E	73.7	Confident	69.3	Low	164 Å²	164	86.1 Å²	86.1	77%	0.766	48%	0.479	S	S	*	.	S	Bend	trans	-73.4	-23.3	-175.6	-60.9	-164.2	137.6	0	0	113.1	F393	F393-E395 HydrophobicContact CE2-CG 4.43Å
396	D	77.3	Confident	71.2	Confident	82 Å²	82	86.1 Å²	86.1	44%	0.439	48%	0.484	S	S	.	.			trans	-73.9	126.1	173.8	-163.4	-16.5	0	0	0	110.6	E394 S398 R674	E394-D396 VanDerWaalsContact C-N 3.3Å; E394-D396 HydrophobicContact CG-CB 4.21Å; E394-D396 PolarHBondContact O-N 2.97Å; D396-S398 WeakPolarHBondContact OD1-CB 3.1Å; D396-S398 PolarHBondContact OD1-N 3.33Å; D396-S398 PolarHBondContact OD1-OG 3.26Å; D396-S398 PolarHBondContact OD2-OG 3.11Å; D396-R674 PolarHBondContact O-NH1 2.85Å
397	D	79.1	Confident	73.1	Confident	83 Å²	83	84.2 Å²	84.2	44%	0.444	49%	0.486	S	S	.	.			trans	-116.4	8.5	179.4	-75.7	-37.2	0	0	0	112.2	E399 R635 R674	D397-E399 PolarHBondContact O-N 3.28Å; D397-R635 VanDerWaalsContact CG-CZ 3.46Å; D397-R635 IonicContact OD1-CZ 3.76Å; D397-R635 IonicContact OD1-NE 3.86Å; D397-R635 PolarHBondContact OD1-NE 3.01Å; D397-R635 IonicContact OD1-NH1 2.72Å; D397-R635 PolarHBondContact OD1-NH1 3.22Å; D397-R635 IonicContact OD1-NH2 3.98Å; D397-R635 PolarHBondContact OD1-NH2 2.65Å; D397-R635 VanDerWaalsContact OD1-NH2 3.1Å; D397-R635 IonicContact OD2-CZ 2.94Å; D397-R635 VanDerWaalsContact OD2-CZ 3.28Å; D397-R635 IonicContact OD2-NE 3.69Å; D397-R635 IonicContact OD2-NH1 3.71Å; D397-R635 PolarHBondContact OD2-NH1 3.01Å; D397-R674 IonicContact OD1-CZ 3.87Å; D397-R674 IonicContact OD1-NH1 3.13Å; D397-R674 PolarHBondContact OD1-NH1 3.07Å; D397-R674 IonicContact OD1-NH2 2.68Å
398	S	78.3	Confident	74.9	Confident	90 Å²	90	83.7 Å²	83.7	63%	0.629	48%	0.479	S	S	*	.			trans	-71	-28.4	-175.6	62.7	0	0	0	0	113.9	D396	D396-S398 WeakPolarHBondContact OD1-CB 3.1Å; D396-S398 PolarHBondContact OD1-N 3.33Å; D396-S398 PolarHBondContact OD1-OG 3.26Å; D396-S398 PolarHBondContact OD2-OG 3.11Å
399	E	80.4	Confident	76	Confident	128 Å²	128	80.4 Å²	80.4	60%	0.598	46%	0.458	S	S	*	.	S	Bend	trans	-93.1	126.1	176.7	-66.1	-176	157	0	0	111.3	D397 R674	D397-E399 PolarHBondContact O-N 3.28Å; E399-R674 PolarHBondContact O-NH2 3.39Å
400	P	83.5	Confident	76.5	Confident	122 Å²	122	82.3 Å²	82.3	79%	0.792	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-65.7	147.1	176	29.7	-35	0	0	0	110.5
401	L	84.7	Confident	77.2	Confident	26 Å²	26	85.5 Å²	85.5	14%	0.136	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-69.5	140.2	-179.7	-61.5	-178.7	0	0	0	111.2	E637 E638 R672 R674	L401-E637 HydrophobicContact CD1-CB 3.89Å; L401-E638 HydrophobicContact CD1-CG 4.26Å; L401-R672 HydrophobicContact CD1-CB 3.47Å; L401-R672 VanDerWaalsContact CD1-CB 3.47Å; L401-R672 HydrophobicContact CD1-CG 4.18Å; L401-R674 HydrophobicContact CD2-CB 4.02Å; L401-R674 HydrophobicContact CD2-CG 4.12Å
402	E	84.9	Confident	78.2	Confident	117 Å²	117	82.1 Å²	82.1	55%	0.547	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-61.3	143.9	169.8	-65.2	-170.4	158.6	0	0	110.9	F404 R672	E402-F404 PolarHBondContact O-N 3.27Å; E402-R672 PolarHBondContact O-NH2 3.42Å
403	P	85.7	Confident	79.2	Confident	95 Å²	95	81.5 Å²	81.5	62%	0.617	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-55	129.7	170.1	-27	36	0	0	0	111.9	Y405	P403-Y405 WeakPolarHBondContact CB-O 3.39Å; P403-Y405 PolarHBondContact O-N 3.36Å
404	F	87.1	Confident	80.1	Confident	13 Å²	13	84.8 Å²	84.8	6%	0.057	48%	0.481	C	S	.	.	S	Bend	trans	-62.3	-28.9	-175.3	-172.6	-105.8	0	0	0	113.6	E402 E573 V575 R588 R590	E402-F404 PolarHBondContact O-N 3.27Å; F404-E573 HydrophobicContact CE1-CB 4.15Å; F404-E573 HydrophobicContact CZ-CB 3.67Å; F404-V575 HydrophobicContact CE2-CG2 4.17Å; F404-V575 HydrophobicContact CZ-CG2 4.03Å; F404-R588 HydrophobicContact CD2-CB 4.12Å; F404-R588 HydrophobicContact CD2-CG 3.8Å; F404-R588 HydrophobicContact CE2-CB 4.45Å; F404-R588 HydrophobicContact CE2-CG 3.96Å; F404-R588 PolarHBondContact O-NE 3.32Å; F404-R588 PolarHBondContact O-NH2 2.72Å; F404-R590 HydrophobicContact CD1-CB 4.12Å; F404-R590 VanDerWaalsContact CD1-NE 3.31Å; F404-R590 HydrophobicContact CD2-CB 3.79Å; F404-R590 HydrophobicContact CE1-CB 4.18Å; F404-R590 HydrophobicContact CE2-CB 3.87Å; F404-R590 HydrophobicContact CG-CB 3.92Å; F404-R590 HydrophobicContact CZ-CB 4.06Å
405	Y	81.7	Confident	81	Confident	100 Å²	100	82.9 Å²	82.9	39%	0.392	47%	0.472	S	S	.	.	S	Bend	trans	-129.3	151	166.4	-70.1	-61.9	0	0	0	109.5	P403 A542	P403-Y405 WeakPolarHBondContact CB-O 3.39Å; P403-Y405 PolarHBondContact O-N 3.36Å; Y405-A542 HydrophobicContact CD2-CB 3.73Å; Y405-A542 HydrophobicContact CE2-CB 3.79Å; Y405-A542 HydrophobicContact CG-CB 4.11Å
406	P	75.1	Confident	82	Confident	97 Å²	97	76.1 Å²	76.1	63%	0.63	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-60.5	155.1	169.5	28.3	-35.7	0	0	0	110.9
407	P	69.7	Low	82.9	Confident	118 Å²	118	72.2 Å²	72.2	77%	0.766	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-59.9	143.5	178.7	25.4	-34.5	0	0	0	111.7
408	T	70.3	Confident	83.5	Confident	68 Å²	68	71.1 Å²	71.1	42%	0.417	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-50.5	129.3	177.2	-58	0	0	0	0	111.4	A410 W413 S543	T408-A410 PolarHBondContact O-N 2.86Å; T408-W413 HydrophobicContact CG2-CH2 3.6Å; T408-W413 HydrophobicContact CG2-CZ2 3.7Å; T408-S543 PolarHBondContact OG1-OG 3.13Å
409	P	71.1	Confident	84	Confident	57 Å²	57	72.7 Å²	72.7	37%	0.37	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-61.9	123.4	177	25.4	-33.9	0	0	0	110.2	E411 G412 W413	P409-E411 PolarHBondContact O-N 3.21Å; P409-E411 VanDerWaalsContact O-N 3.16Å; P409-G412 PolarHBondContact O-N 2.96Å; P409-W413 HydrophobicContact CG-CZ2 4.19Å
410	A	68.9	Low	84.4	Confident	109 Å²	109	68.1 Å²	68.1	90%	0.901	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-23.5	-174.7	0	0	0	0	0	113.4	T408	T408-A410 PolarHBondContact O-N 2.86Å
411	E	79.7	Confident	84.5	Confident	157 Å²	157	64.3 Å²	64.3	73%	0.734	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-25.8	-176	-58	-169.9	168.9	0	0	113.7	P409 H435 R437	P409-E411 PolarHBondContact O-N 3.21Å; P409-E411 VanDerWaalsContact O-N 3.16Å; E411-H435 PolarHBondContact O-CE1 3.49Å; E411-H435 PolarHBondContact O-NE2 3.22Å; E411-R437 PolarHBondContact O-NE 3.35Å; E411-R437 PolarHBondContact O-NH2 2.83Å
412	G	88.3	Confident	84.4	Confident	13 Å²	13	71.4 Å²	71.4	13%	0.134	39%	0.385	C	S	.	.			trans	111.1	-158.9	-172.5	0	0	0	0	0	113.8	P409 V436	P409-G412 PolarHBondContact O-N 2.96Å; G412-V436 CarbonylContact C-O 3.38Å; G412-V436 VanDerWaalsContact CA-O 3.23Å; G412-V436 WeakPolarHBondContact CA-O 3.48Å
413	W	93.2	Very high	84	Confident	7 Å²	7	71.4 Å²	71.4	3%	0.027	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-135.9	149.6	-179.6	-55.8	-92.8	0	0	0	111.7	T408 P409 L415 H435 V436 L438 E536 F540 S543	T408-W413 HydrophobicContact CG2-CH2 3.6Å; T408-W413 HydrophobicContact CG2-CZ2 3.7Å; P409-W413 HydrophobicContact CG-CZ2 4.19Å; W413-L415 HydrophobicContact CB-CD1 4.21Å; W413-L415 HydrophobicContact CB-CD2 3.99Å; W413-L415 HydrophobicContact CB-CG 3.76Å; W413-L415 PolarHBondContact O-N 3.33Å; W413-H435 WeakPolarHBondContact O-CA 3.34Å; W413-H435 PolarHBondContact O-ND1 2.85Å; W413-V436 PolarHBondContact N-O 3.26Å; W413-V436 PolarHBondContact O-N 2.77Å; W413-L438 HydrophobicContact CZ3-CB 4.25Å; W413-E536 HydrophobicContact CB-CG 4.22Å; W413-E536 HydrophobicContact CG-CG 4.44Å; W413-F540 HydrophobicContact CD2-CB 3.96Å; W413-F540 AromaticContact CD2-CD2 3.99Å; W413-F540 HydrophobicContact CD2-CD2 3.99Å; W413-F540 HydrophobicContact CD2-CG 4.47Å; W413-F540 AromaticContact CE3-CD2 3.71Å; W413-F540 HydrophobicContact CE3-CD2 3.71Å; W413-F540 HydrophobicContact CG-CB 4.08Å; W413-F540 HydrophobicContact CH2-CD2 4.32Å; W413-F540 HydrophobicContact CZ2-CB 4.38Å; W413-F540 AromaticContact CZ3-CD2 3.89Å; W413-F540 HydrophobicContact CZ3-CD2 3.89Å; W413-S543 WeakPolarHBondContact CZ2-OG 3.47Å
414	N	93.4	Very high	83.5	Confident	95 Å²	95	74 Å²	74	51%	0.508	39%	0.385	S	S	.	.			trans	-103.2	57.6	-176.1	-61.3	-55.7	0	0	0	111.7	V434 H435 E536	N414-V434 CarbonylContact C-O 3.54Å; N414-H435 PolarHBondContact OD1-ND1 2.95Å; N414-E536 WeakPolarHBondContact CA-OE1 3.38Å; N414-E536 PolarHBondContact N-OE1 3.37Å
415	L	95.1	Very high	82.9	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	42%	0.421	C	S	.	.			trans	-76.9	176.3	-174	-53.9	-178.3	0	0	0	113.1	W413 V434 V436 F529 G530 E536 L537 F540	W413-L415 HydrophobicContact CB-CD1 4.21Å; W413-L415 HydrophobicContact CB-CD2 3.99Å; W413-L415 HydrophobicContact CB-CG 3.76Å; W413-L415 PolarHBondContact O-N 3.33Å; L415-V434 PolarHBondContact N-O 3.32Å; L415-V434 VanDerWaalsContact N-O 3.14Å; L415-V434 WeakPolarHBondContact O-CG2 3.44Å; L415-V434 PolarHBondContact O-N 2.95Å; L415-V436 HydrophobicContact CB-CG2 4.13Å; L415-V436 HydrophobicContact CD1-CB 4.26Å; L415-V436 HydrophobicContact CD1-CG2 4.1Å; L415-V436 HydrophobicContact CG-CG2 4.33Å; L415-F529 HydrophobicContact CD1-CB 4.34Å; L415-F529 HydrophobicContact CD1-CD1 4.15Å; L415-F529 HydrophobicContact CD1-CG 4.45Å; L415-G530 CarbonylContact C-O 3.51Å; L415-G530 WeakPolarHBondContact CA-O 3.19Å; L415-E536 HydrophobicContact CD2-CG 4.04Å; L415-L537 HydrophobicContact CD1-CD1 4.39Å; L415-L537 HydrophobicContact CD2-CD1 4.03Å; L415-F540 HydrophobicContact CD1-CB 4.11Å; L415-F540 HydrophobicContact CD1-CD1 3.75Å; L415-F540 HydrophobicContact CD1-CD2 3.86Å; L415-F540 HydrophobicContact CD1-CE1 4.1Å; L415-F540 HydrophobicContact CD1-CE2 4.2Å; L415-F540 HydrophobicContact CD1-CG 3.62Å; L415-F540 HydrophobicContact CD1-CZ 4.31Å
416	H	95	Very high	82.6	Confident	22 Å²	22	82.1 Å²	82.1	10%	0.102	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.1	170	-66.2	64.2	0	0	0	110	W431 K432 Y475 I481 F529 G530	H416-W431 HydrophobicContact CB-CB 4.3Å; H416-W431 HydrophobicContact CB-CE3 4.02Å; H416-K432 CarbonylContact C-O 3.6Å; H416-K432 WeakPolarHBondContact CA-O 3.34Å; H416-Y475 AromaticContact CD2-CE2 3.96Å; H416-I481 HydrophobicContact CB-CD1 3.88Å; H416-F529 CarbonylContact O-C 3.46Å; H416-F529 VanDerWaalsContact O-CA 3.32Å; H416-F529 WeakPolarHBondContact O-CA 3.16Å; H416-G530 PolarHBondContact N-O 3.1Å; H416-G530 PolarHBondContact O-N 3.4Å
417	I	95.1	Very high	82.4	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.8	169.5	55.1	163.8	0	0	0	111.8	Y419 W431 K432 V434 F456 V527 K528 F529	I417-Y419 PolarHBondContact O-N 3.38Å; I417-W431 WeakPolarHBondContact O-CA 3.48Å; I417-K432 PolarHBondContact N-O 3.46Å; I417-K432 PolarHBondContact O-N 3.13Å; I417-V434 HydrophobicContact CB-CG2 4.39Å; I417-V434 HydrophobicContact CD1-CG1 3.92Å; I417-V434 HydrophobicContact CG1-CG1 3.78Å; I417-V434 HydrophobicContact CG1-CG2 4.03Å; I417-V434 HydrophobicContact CG2-CG2 3.8Å; I417-F456 HydrophobicContact CD1-CE2 4.26Å; I417-F456 HydrophobicContact CD1-CZ 3.79Å; I417-V527 HydrophobicContact CB-CG2 4.36Å; I417-V527 HydrophobicContact CG2-CG2 3.81Å; I417-K528 VanDerWaalsContact CA-O 3.31Å; I417-K528 WeakPolarHBondContact CA-O 3.39Å; I417-F529 HydrophobicContact CG2-CD1 3.79Å; I417-F529 HydrophobicContact CG2-CE1 4.01Å
418	R	92.7	Very high	82.9	Confident	59 Å²	59	82.8 Å²	82.8	22%	0.223	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	109.1	174.3	-163.7	76.5	176.9	172.8	-3.9	109.6	R429 C430 W431 K528	R418-R429 HydrophobicContact CG-CB 4.15Å; R418-R429 PolarHBondContact NE-O 2.88Å; R418-R429 PolarHBondContact NH2-O 2.86Å; R418-C430 CarbonylContact C-O 3.5Å; R418-C430 WeakPolarHBondContact CA-O 3.48Å; R418-C430 WeakPolarHBondContact CD-O 3.49Å; R418-W431 HydrophobicContact CB-CD2 4.34Å; R418-W431 HydrophobicContact CB-CE3 3.99Å; R418-W431 HydrophobicContact CB-CH2 4.11Å; R418-W431 HydrophobicContact CB-CZ2 4.43Å; R418-W431 HydrophobicContact CB-CZ3 3.87Å; R418-K528 HydrophobicContact CB-CB 4Å; R418-K528 HydrophobicContact CB-CD 4.12Å; R418-K528 HydrophobicContact CB-CG 4.42Å; R418-K528 PolarHBondContact N-O 3.14Å
419	Y	88.7	Confident	83.6	Confident	124 Å²	124	83.6 Å²	83.6	49%	0.486	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.6	-174.7	-169.6	-86.7	0	0	0	110.9	I417 R429 C430	I417-Y419 PolarHBondContact O-N 3.38Å; Y419-R429 CarbonylContact O-C 3.45Å; Y419-R429 VanDerWaalsContact O-CA 3.23Å; Y419-R429 WeakPolarHBondContact O-CA 3.16Å; Y419-C430 PolarHBondContact N-O 3.41Å; Y419-C430 PolarHBondContact O-N 3.06Å
420	P	88.5	Confident	84.5	Confident	32 Å²	32	83.9 Å²	83.9	21%	0.208	43%	0.434	C	S	.	.	S	Bend	cis	-70.9	146.8	-7.8	30.2	-35.4	0	0	0	112.5	K422 E428 R429	P420-K422 VanDerWaalsContact C-N 3.27Å; P420-K422 PolarHBondContact O-N 2.87Å; P420-E428 WeakPolarHBondContact CD-O 3.28Å; P420-R429 HydrophobicContact CG-CG 4.41Å; P420-R429 PolarHBondContact O-NE 3.11Å
421	I	85.1	Confident	85.7	Confident	42 Å²	42	79.7 Å²	79.7	22%	0.215	40%	0.395	C	S	.	.	S	Bend	trans	-55.6	-42.9	-175.6	-62.1	175.3	0	0	0	111.2	R429 L526	I421-R429 PolarHBondContact O-NH2 3.17Å; I421-L526 VanDerWaalsContact CG2-O 3.25Å; I421-L526 WeakPolarHBondContact CG2-O 3.17Å
422	K	82.3	Confident	86.3	Confident	175 Å²	175	75.9 Å²	75.9	76%	0.761	38%	0.376	S	S	*	.	S	Bend	trans	-100.8	131.2	169.6	-62.2	-175.8	-179.5	-177.9	0	109.2	P420	P420-K422 VanDerWaalsContact C-N 3.27Å; P420-K422 PolarHBondContact O-N 2.87Å
423	K	77.1	Confident	86.6	Confident	116 Å²	116	78.9 Å²	78.9	50%	0.504	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-62.3	132.7	171.5	-171.2	-175.2	175.3	-165	0	107.5
424	K	76.2	Confident	86.6	Confident	151 Å²	151	78.8 Å²	78.8	66%	0.657	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-92	154.2	163	-69.4	-175.9	179.1	-179.1	0	107.8	V426	K424-V426 WeakPolarHBondContact CB-O 3.31Å; K424-V426 PolarHBondContact O-N 3.39Å
425	L	74	Confident	86.7	Confident	153 Å²	153	74.6 Å²	74.6	80%	0.801	37%	0.371	S	S	*	.	S	Bend	trans	-55.4	-42.6	178.6	-161.7	83.5	0	0	0	111.3
426	V	74.1	Confident	86.6	Confident	130 Å²	130	74.6 Å²	74.6	79%	0.788	37%	0.371	S	S	*	.	S	Bend	trans	-107.9	116	169.3	-175.3	0	0	0	0	108.1	K424	K424-V426 WeakPolarHBondContact CB-O 3.31Å; K424-V426 PolarHBondContact O-N 3.39Å
427	G	71	Confident	86.5	Confident	44 Å²	44	77.4 Å²	77.4	45%	0.454	38%	0.38	S	S	.	.			trans	137.1	118.4	177.5	0	0	0	0	0	113.2
428	E	80.2	Confident	86.3	Confident	184 Å²	184	79.1 Å²	79.1	86%	0.86	39%	0.389	S	S	*	.			trans	-70	168.1	174.1	-62.1	-169.8	169.4	0	0	112.4	P420	P420-E428 WeakPolarHBondContact CD-O 3.28Å
429	R	86.4	Confident	86.1	Confident	85 Å²	85	77.4 Å²	77.4	32%	0.321	39%	0.388	S	S	.	.			trans	-111.9	130.9	171.6	-77.8	171.2	162.4	152.7	-12.3	109.5	R418 Y419 P420 I421	R418-R429 HydrophobicContact CG-CB 4.15Å; R418-R429 PolarHBondContact NE-O 2.88Å; R418-R429 PolarHBondContact NH2-O 2.86Å; Y419-R429 CarbonylContact O-C 3.45Å; Y419-R429 VanDerWaalsContact O-CA 3.23Å; Y419-R429 WeakPolarHBondContact O-CA 3.16Å; P420-R429 HydrophobicContact CG-CG 4.41Å; P420-R429 PolarHBondContact O-NE 3.11Å; I421-R429 PolarHBondContact O-NH2 3.17Å
430	C	89.8	Confident	85.9	Confident	64 Å²	64	78.9 Å²	78.9	43%	0.432	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	170.3	170.8	60.6	0	0	0	0	110.9	R418 Y419	R418-C430 CarbonylContact C-O 3.5Å; R418-C430 WeakPolarHBondContact CA-O 3.48Å; R418-C430 WeakPolarHBondContact CD-O 3.49Å; Y419-C430 PolarHBondContact N-O 3.41Å; Y419-C430 PolarHBondContact O-N 3.06Å
431	W	92.9	Very high	85.6	Confident	21 Å²	21	84.9 Å²	84.9	8%	0.08	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.3	159.7	-66.9	103.1	0	0	0	108.6	H416 I417 R418 Q473 Q474 Y475 I481 A483 K528	H416-W431 HydrophobicContact CB-CB 4.3Å; H416-W431 HydrophobicContact CB-CE3 4.02Å; I417-W431 WeakPolarHBondContact O-CA 3.48Å; R418-W431 HydrophobicContact CB-CD2 4.34Å; R418-W431 HydrophobicContact CB-CE3 3.99Å; R418-W431 HydrophobicContact CB-CH2 4.11Å; R418-W431 HydrophobicContact CB-CZ2 4.43Å; R418-W431 HydrophobicContact CB-CZ3 3.87Å; W431-Q473 HydrophobicContact CZ2-CB 4.2Å; W431-Q474 PolarHBondContact NE1-O 3.33Å; W431-Y475 HydrophobicContact CB-CD2 4.04Å; W431-Y475 HydrophobicContact CB-CE2 3.78Å; W431-Y475 AromaticContact CD1-CD2 3.54Å; W431-Y475 AromaticContact CG-CD2 3.92Å; W431-Y475 HydrophobicContact CG-CD2 3.92Å; W431-Y475 HydrophobicContact CG-CE2 4.18Å; W431-I481 HydrophobicContact CD2-CD1 4.32Å; W431-I481 HydrophobicContact CD2-CG2 4.23Å; W431-I481 HydrophobicContact CE3-CD1 4.44Å; W431-I481 HydrophobicContact CH2-CG2 4.39Å; W431-I481 HydrophobicContact CZ2-CG2 3.66Å; W431-A483 HydrophobicContact CH2-CB 3.74Å; W431-A483 HydrophobicContact CZ2-CB 4.2Å; W431-K528 HydrophobicContact CH2-CB 4.17Å; W431-K528 HydrophobicContact CH2-CD 4.41Å; W431-K528 HydrophobicContact CZ3-CB 4.25Å
432	K	92.9	Very high	85.8	Confident	76 Å²	76	86.9 Å²	86.9	33%	0.33	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.5	172.9	179.1	176.8	173.6	178.3	0	108.7	H416 I417 H448	H416-K432 CarbonylContact C-O 3.6Å; H416-K432 WeakPolarHBondContact CA-O 3.34Å; I417-K432 PolarHBondContact N-O 3.46Å; I417-K432 PolarHBondContact O-N 3.13Å; K432-H448 PolarHBondContact NZ-CE1 2.75Å; K432-H448 PolarHBondContact NZ-ND1 2.63Å; K432-H448 PolarHBondContact NZ-NE2 2.81Å; K432-H448 VanDerWaalsContact NZ-NE2 3.12Å
433	P	94.6	Very high	86.3	Confident	76 Å²	76	80.3 Å²	80.3	49%	0.494	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	142.6	171.7	27.5	-34.6	0	0	0	110.6
434	V	94.5	Very high	87.1	Confident	5 Å²	5	74.9 Å²	74.9	3%	0.03	38%	0.38	C	S	.	.			trans	-148.9	156.4	-178.6	-73.8	0	0	0	0	109.8	N414 L415 I417 V436 I446 A447 F456	N414-V434 CarbonylContact C-O 3.54Å; L415-V434 PolarHBondContact N-O 3.32Å; L415-V434 VanDerWaalsContact N-O 3.14Å; L415-V434 WeakPolarHBondContact O-CG2 3.44Å; L415-V434 PolarHBondContact O-N 2.95Å; I417-V434 HydrophobicContact CB-CG2 4.39Å; I417-V434 HydrophobicContact CD1-CG1 3.92Å; I417-V434 HydrophobicContact CG1-CG1 3.78Å; I417-V434 HydrophobicContact CG1-CG2 4.03Å; I417-V434 HydrophobicContact CG2-CG2 3.8Å; V434-V436 HydrophobicContact CG2-CG2 4.06Å; V434-I446 HydrophobicContact CB-CG2 3.76Å; V434-I446 HydrophobicContact CG1-CG2 3.96Å; V434-I446 HydrophobicContact CG2-CG2 3.87Å; V434-A447 WeakPolarHBondContact CA-O 3.47Å; V434-A447 VanDerWaalsContact CB-O 3.26Å; V434-A447 WeakPolarHBondContact CB-O 3.34Å; V434-F456 HydrophobicContact CG1-CE1 3.89Å; V434-F456 HydrophobicContact CG1-CZ 3.93Å
435	H	93.9	Very high	87.9	Confident	8 Å²	8	70.2 Å²	70.2	4%	0.037	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132	169.4	-171.5	76.9	0	0	0	109.5	E411 W413 N414 R437 A447	E411-H435 PolarHBondContact O-CE1 3.49Å; E411-H435 PolarHBondContact O-NE2 3.22Å; W413-H435 WeakPolarHBondContact O-CA 3.34Å; W413-H435 PolarHBondContact O-ND1 2.85Å; N414-H435 PolarHBondContact OD1-ND1 2.95Å; H435-R437 VanDerWaalsContact NE2-CZ 3.25Å; H435-R437 PolarHBondContact NE2-NE 2.99Å; H435-R437 PolarHBondContact NE2-NH2 3.13Å; H435-R437 VanDerWaalsContact NE2-NH2 3.13Å; H435-A447 HydrophobicContact CB-CB 4.44Å; H435-A447 PolarHBondContact N-O 3.05Å; H435-A447 PolarHBondContact O-N 3.47Å
436	V	93.8	Very high	88.9	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.8	-174.2	-177.4	0	0	0	0	110	G412 W413 L415 V434 V444 Q445 I446 F529 F540	G412-V436 CarbonylContact C-O 3.38Å; G412-V436 VanDerWaalsContact CA-O 3.23Å; G412-V436 WeakPolarHBondContact CA-O 3.48Å; W413-V436 PolarHBondContact N-O 3.26Å; W413-V436 PolarHBondContact O-N 2.77Å; L415-V436 HydrophobicContact CB-CG2 4.13Å; L415-V436 HydrophobicContact CD1-CB 4.26Å; L415-V436 HydrophobicContact CD1-CG2 4.1Å; L415-V436 HydrophobicContact CG-CG2 4.33Å; V434-V436 HydrophobicContact CG2-CG2 4.06Å; V436-V444 HydrophobicContact CG1-CG1 3.79Å; V436-Q445 WeakPolarHBondContact CA-O 3.45Å; V436-I446 HydrophobicContact CG2-CG2 4.3Å; V436-F529 HydrophobicContact CG1-CE1 4.28Å; V436-F529 HydrophobicContact CG2-CD1 4.25Å; V436-F529 HydrophobicContact CG2-CE1 3.93Å; V436-F540 HydrophobicContact CG1-CD2 4.32Å; V436-F540 HydrophobicContact CG1-CE2 3.71Å; V436-F540 HydrophobicContact CG1-CZ 4.43Å
437	R	92.2	Very high	89.7	Confident	81 Å²	81	57.1 Å²	57.1	31%	0.306	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	154.2	178.6	-71.8	-179.1	173.4	138.1	5.2	111.4	E411 H435 Q445 S450	E411-R437 PolarHBondContact O-NE 3.35Å; E411-R437 PolarHBondContact O-NH2 2.83Å; H435-R437 VanDerWaalsContact NE2-CZ 3.25Å; H435-R437 PolarHBondContact NE2-NE 2.99Å; H435-R437 PolarHBondContact NE2-NH2 3.13Å; H435-R437 VanDerWaalsContact NE2-NH2 3.13Å; R437-Q445 HydrophobicContact CB-CB 4.49Å; R437-Q445 PolarHBondContact N-O 2.81Å; R437-Q445 PolarHBondContact O-N 3.4Å; R437-S450 VanDerWaalsContact CZ-O 3.29Å; R437-S450 PolarHBondContact NH1-O 3.23Å; R437-S450 PolarHBondContact NH2-O 3.25Å
438	L	91.2	Very high	90.6	Very high	36 Å²	36	59.7 Å²	59.7	19%	0.188	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	89.5	177.3	177.4	60.8	0	0	0	109.9	W413 V443 V444 L461 I544 A547	W413-L438 HydrophobicContact CZ3-CB 4.25Å; L438-V443 CarbonylContact C-O 3.55Å; L438-V444 HydrophobicContact CD1-CG2 4.36Å; L438-L461 HydrophobicContact CD1-CD1 4.22Å; L438-I544 HydrophobicContact CD1-CD1 4Å; L438-I544 HydrophobicContact CD2-CD1 4.38Å; L438-A547 HydrophobicContact CD1-CB 4.38Å; L438-A547 HydrophobicContact CD2-CB 4.02Å
439	A	88	Confident	91	Very high	23 Å²	23	53.2 Å²	53.2	19%	0.19	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.5	179.1	0	0	0	0	0	111.4	R441 K442 V443 Q445	A439-R441 PolarHBondContact O-N 3.18Å; A439-K442 PolarHBondContact O-N 2.83Å; A439-V443 HydrophobicContact CB-CB 4.41Å; A439-V443 PolarHBondContact N-O 3.07Å; A439-V443 PolarHBondContact O-N 2.92Å; A439-Q445 HydrophobicContact CB-CG 4.05Å
440	N	84.9	Confident	90.9	Very high	154 Å²	154	51.4 Å²	51.4	82%	0.824	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	22.1	176.8	-60.4	-9.5	0	0	0	115.2	K442	N440-K442 PolarHBondContact O-N 2.95Å
441	R	83.4	Confident	90.5	Very high	158 Å²	158	55 Å²	55	60%	0.596	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	17.7	-168.6	-61.4	-177.7	178.4	157.8	-1.2	114.9	A439 A547	A439-R441 PolarHBondContact O-N 3.18Å; R441-A547 WeakPolarHBondContact O-CB 3.33Å
442	K	88.9	Confident	90	Very high	85 Å²	85	56.9 Å²	56.9	37%	0.37	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-14.2	-176.2	-67.9	-175.4	-180	-176.9	0	114.1	A439 N440 L461 L551 E552	A439-K442 PolarHBondContact O-N 2.83Å; N440-K442 PolarHBondContact O-N 2.95Å; K442-L461 PolarHBondContact O-N 2.87Å; K442-L551 HydrophobicContact CD-CD1 4.36Å; K442-L551 HydrophobicContact CG-CD1 4.21Å; K442-E552 IonicContact NZ-OE2 2.69Å; K442-E552 PolarHBondContact NZ-OE2 2.97Å
443	V	92.9	Very high	89.2	Confident	37 Å²	37	63.3 Å²	63.3	22%	0.224	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.5	179.9	-175.9	0	0	0	0	111.1	L438 A439 Q445 E458 F459 A460	L438-V443 CarbonylContact C-O 3.55Å; A439-V443 HydrophobicContact CB-CB 4.41Å; A439-V443 PolarHBondContact N-O 3.07Å; A439-V443 PolarHBondContact O-N 2.92Å; V443-Q445 HydrophobicContact CG1-CG 4.15Å; V443-E458 HydrophobicContact CG1-CB 3.96Å; V443-E458 HydrophobicContact CG1-CG 4.46Å; V443-F459 WeakPolarHBondContact CA-O 3.49Å; V443-A460 HydrophobicContact CG2-CB 4.42Å
444	V	93.6	Very high	88.6	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.006	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	114.3	169.9	-174.7	0	0	0	0	108.6	V436 L438 E458 F459 L461 F529 F540 I544	V436-V444 HydrophobicContact CG1-CG1 3.79Å; L438-V444 HydrophobicContact CD1-CG2 4.36Å; V444-E458 CarbonylContact O-C 3.56Å; V444-E458 WeakPolarHBondContact O-CA 3.39Å; V444-F459 HydrophobicContact CB-CB 4.41Å; V444-F459 PolarHBondContact N-O 2.82Å; V444-F459 PolarHBondContact O-N 3.34Å; V444-L461 HydrophobicContact CG2-CD1 4.49Å; V444-L461 HydrophobicContact CG2-CD2 3.83Å; V444-L461 HydrophobicContact CG2-CG 4.21Å; V444-F529 HydrophobicContact CG1-CZ 4.11Å; V444-F540 HydrophobicContact CG1-CE2 4.49Å; V444-I544 HydrophobicContact CG2-CD1 3.54Å
445	Q	93.2	Very high	88.3	Confident	53 Å²	53	65.6 Å²	65.6	25%	0.248	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.4	179.1	-66.3	-172.9	-42.7	0	0	110.1	V436 R437 A439 V443 P455 E458	V436-Q445 WeakPolarHBondContact CA-O 3.45Å; R437-Q445 HydrophobicContact CB-CB 4.49Å; R437-Q445 PolarHBondContact N-O 2.81Å; R437-Q445 PolarHBondContact O-N 3.4Å; A439-Q445 HydrophobicContact CB-CG 4.05Å; V443-Q445 HydrophobicContact CG1-CG 4.15Å; Q445-P455 HydrophobicContact CB-CB 3.95Å; Q445-P455 HydrophobicContact CB-CG 4.06Å; Q445-P455 HydrophobicContact CG-CG 4.08Å; Q445-E458 HydrophobicContact CG-CG 4.22Å; Q445-E458 WeakPolarHBondContact CG-OE1 3.46Å; Q445-E458 PolarHBondContact NE2-OE1 3.32Å
446	I	94	Very high	88.1	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.6	179.7	-44.9	179.2	0	0	0	109.5	V434 V436 P455 F456 Q457 F459 F529	V434-I446 HydrophobicContact CB-CG2 3.76Å; V434-I446 HydrophobicContact CG1-CG2 3.96Å; V434-I446 HydrophobicContact CG2-CG2 3.87Å; V436-I446 HydrophobicContact CG2-CG2 4.3Å; I446-P455 CarbonylContact O-C 3.55Å; I446-P455 VanDerWaalsContact O-CA 3.27Å; I446-P455 WeakPolarHBondContact O-CA 3.38Å; I446-P455 VanDerWaalsContact O-CB 3.23Å; I446-P455 WeakPolarHBondContact O-CB 3.49Å; I446-F456 HydrophobicContact CB-CE1 4.12Å; I446-F456 HydrophobicContact CB-CZ 4.07Å; I446-F456 HydrophobicContact CG2-CE1 3.59Å; I446-F456 HydrophobicContact CG2-CZ 3.5Å; I446-F456 VanDerWaalsContact CG2-CZ 3.5Å; I446-F456 WeakPolarHBondContact O-CD1 3.34Å; I446-F456 WeakPolarHBondContact O-CE1 3.32Å; I446-F456 PolarHBondContact O-N 3.26Å; I446-Q457 HydrophobicContact CB-CB 4.45Å; I446-Q457 PolarHBondContact N-O 2.94Å; I446-Q457 PolarHBondContact O-N 3.08Å; I446-F459 HydrophobicContact CD1-CD2 4.16Å; I446-F459 HydrophobicContact CD1-CE2 3.84Å; I446-F529 HydrophobicContact CD1-CE1 3.73Å; I446-F529 HydrophobicContact CD1-CZ 3.86Å; I446-F529 HydrophobicContact CG1-CE1 4.3Å
447	A	92.3	Very high	88	Confident	8 Å²	8	71.7 Å²	71.7	7%	0.066	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	167.2	-178.4	0	0	0	0	0	111.4	V434 H435 S449 D452	V434-A447 WeakPolarHBondContact CA-O 3.47Å; V434-A447 VanDerWaalsContact CB-O 3.26Å; V434-A447 WeakPolarHBondContact CB-O 3.34Å; H435-A447 HydrophobicContact CB-CB 4.44Å; H435-A447 PolarHBondContact N-O 3.05Å; H435-A447 PolarHBondContact O-N 3.47Å; A447-S449 WeakPolarHBondContact CB-O 3.48Å; A447-D452 HydrophobicContact CB-CB 4.02Å
448	H	89.9	Confident	88	Confident	98 Å²	98	72.8 Å²	72.8	45%	0.454	37%	0.372	S	S	.	.	S	Bend	trans	-84.9	-31.2	173.8	-70.3	-10.4	0	0	0	111.8	K432 D452 F456	K432-H448 PolarHBondContact NZ-CE1 2.75Å; K432-H448 PolarHBondContact NZ-ND1 2.63Å; K432-H448 PolarHBondContact NZ-NE2 2.81Å; K432-H448 VanDerWaalsContact NZ-NE2 3.12Å; H448-D452 WeakPolarHBondContact CA-OD2 3.16Å; H448-D452 WeakPolarHBondContact CB-OD2 3.23Å; H448-D452 PolarHBondContact N-OD2 2.98Å; H448-F456 AromaticContact CE1-CD1 3.16Å; H448-F456 WeakPolarHBondContact CE1-CD1 3.47Å; H448-F456 AromaticContact CE1-CE1 3.35Å; H448-F456 WeakPolarHBondContact CE1-CE1 3.48Å; H448-F456 AromaticContact CE1-CG 3.58Å; H448-F456 AromaticContact CE1-CZ 3.92Å; H448-F456 AromaticContact ND1-CD1 3.19Å; H448-F456 WeakPolarHBondContact ND1-CD1 3.32Å; H448-F456 AromaticContact ND1-CE1 3.17Å; H448-F456 WeakPolarHBondContact ND1-CE1 3.39Å
449	S	87.6	Confident	88.1	Confident	49 Å²	49	72.2 Å²	72.2	34%	0.343	37%	0.367	S	S	.	.	S	Bend	trans	-137.6	159.8	176.1	-176.6	0	0	0	0	111.2	A447 N451 D452	A447-S449 WeakPolarHBondContact CB-O 3.48Å; S449-N451 PolarHBondContact O-N 2.85Å; S449-D452 PolarHBondContact N-OD2 3.03Å; S449-D452 PolarHBondContact O-N 2.9Å
450	S	84.8	Confident	88.4	Confident	47 Å²	47	73.9 Å²	73.9	33%	0.329	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.7	172.9	54.8	0	0	0	0	113.2	R437	R437-S450 VanDerWaalsContact CZ-O 3.29Å; R437-S450 PolarHBondContact NH1-O 3.23Å; R437-S450 PolarHBondContact NH2-O 3.25Å
451	N	81.3	Confident	88.9	Confident	139 Å²	139	67.1 Å²	67.1	74%	0.743	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-10.2	178.7	-68.8	-22.5	0	0	0	113.9	S449 K453	S449-N451 PolarHBondContact O-N 2.85Å; N451-K453 PolarHBondContact O-N 2.86Å
452	D	81.5	Confident	89.3	Confident	60 Å²	60	63.5 Å²	63.5	32%	0.321	34%	0.335	S	S	.	.			trans	-73	123.6	179.9	-60.1	-26.4	0	0	0	110.4	A447 H448 S449 S454	A447-D452 HydrophobicContact CB-CB 4.02Å; H448-D452 WeakPolarHBondContact CA-OD2 3.16Å; H448-D452 WeakPolarHBondContact CB-OD2 3.23Å; H448-D452 PolarHBondContact N-OD2 2.98Å; S449-D452 PolarHBondContact N-OD2 3.03Å; S449-D452 PolarHBondContact O-N 2.9Å; D452-S454 VanDerWaalsContact C-N 3.35Å
453	K	76.3	Confident	89.5	Confident	212 Å²	212	61.2 Å²	61.2	92%	0.922	33%	0.329	S	S	*	.	S	Bend	trans	-79.5	-17.6	176.4	-63.9	-174.1	-179.6	-177.7	0	113.7	N451	N451-K453 PolarHBondContact O-N 2.86Å
454	S	83	Confident	89.5	Confident	93 Å²	93	61.2 Å²	61.2	65%	0.65	33%	0.329	S	S	*	.	S	Bend	trans	-119.4	112.6	-177.7	53.9	0	0	0	0	110	D452	D452-S454 VanDerWaalsContact C-N 3.35Å
455	P	87.3	Confident	89.5	Confident	36 Å²	36	62.7 Å²	62.7	23%	0.234	34%	0.335	C	S	.	.			trans	-66	145.1	172.2	28.4	-34	0	0	0	110.6	Q445 I446 Q457 E458	Q445-P455 HydrophobicContact CB-CB 3.95Å; Q445-P455 HydrophobicContact CB-CG 4.06Å; Q445-P455 HydrophobicContact CG-CG 4.08Å; I446-P455 CarbonylContact O-C 3.55Å; I446-P455 VanDerWaalsContact O-CA 3.27Å; I446-P455 WeakPolarHBondContact O-CA 3.38Å; I446-P455 VanDerWaalsContact O-CB 3.23Å; I446-P455 WeakPolarHBondContact O-CB 3.49Å; P455-Q457 VanDerWaalsContact C-N 3.33Å; P455-E458 HydrophobicContact CB-CG 4.2Å; P455-E458 HydrophobicContact CG-CG 3.63Å; P455-E458 WeakPolarHBondContact CG-OE1 3.19Å
456	F	90.9	Very high	89.5	Confident	87 Å²	87	61.7 Å²	61.7	38%	0.382	33%	0.333	S	S	.	.	S	Bend	trans	-83.4	-15.2	174.6	71.7	-91.9	0	0	0	112.1	I417 V434 I446 H448	I417-F456 HydrophobicContact CD1-CE2 4.26Å; I417-F456 HydrophobicContact CD1-CZ 3.79Å; V434-F456 HydrophobicContact CG1-CE1 3.89Å; V434-F456 HydrophobicContact CG1-CZ 3.93Å; I446-F456 HydrophobicContact CB-CE1 4.12Å; I446-F456 HydrophobicContact CB-CZ 4.07Å; I446-F456 HydrophobicContact CG2-CE1 3.59Å; I446-F456 HydrophobicContact CG2-CZ 3.5Å; I446-F456 VanDerWaalsContact CG2-CZ 3.5Å; I446-F456 WeakPolarHBondContact O-CD1 3.34Å; I446-F456 WeakPolarHBondContact O-CE1 3.32Å; I446-F456 PolarHBondContact O-N 3.26Å; H448-F456 AromaticContact CE1-CD1 3.16Å; H448-F456 WeakPolarHBondContact CE1-CD1 3.47Å; H448-F456 AromaticContact CE1-CE1 3.35Å; H448-F456 WeakPolarHBondContact CE1-CE1 3.48Å; H448-F456 AromaticContact CE1-CG 3.58Å; H448-F456 AromaticContact CE1-CZ 3.92Å; H448-F456 AromaticContact ND1-CD1 3.19Å; H448-F456 WeakPolarHBondContact ND1-CD1 3.32Å; H448-F456 AromaticContact ND1-CE1 3.17Å; H448-F456 WeakPolarHBondContact ND1-CE1 3.39Å
457	Q	91.2	Very high	89.5	Confident	49 Å²	49	62.6 Å²	62.6	23%	0.229	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	137.9	176.4	-176.4	164.7	30.4	0	0	110.7	I446 P455 F459	I446-Q457 HydrophobicContact CB-CB 4.45Å; I446-Q457 PolarHBondContact N-O 2.94Å; I446-Q457 PolarHBondContact O-N 3.08Å; P455-Q457 VanDerWaalsContact C-N 3.33Å; Q457-F459 HydrophobicContact CG-CD2 4.35Å; Q457-F459 HydrophobicContact CG-CE2 3.8Å; Q457-F459 HydrophobicContact CG-CZ 4.09Å
458	E	92.7	Very high	89.6	Confident	104 Å²	104	63.2 Å²	63.2	49%	0.486	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.3	175.5	-59.3	-168.2	132.4	0	0	110.7	V443 V444 Q445 P455	V443-E458 HydrophobicContact CG1-CB 3.96Å; V443-E458 HydrophobicContact CG1-CG 4.46Å; V444-E458 CarbonylContact O-C 3.56Å; V444-E458 WeakPolarHBondContact O-CA 3.39Å; Q445-E458 HydrophobicContact CG-CG 4.22Å; Q445-E458 WeakPolarHBondContact CG-OE1 3.46Å; Q445-E458 PolarHBondContact NE2-OE1 3.32Å; P455-E458 HydrophobicContact CB-CG 4.2Å; P455-E458 HydrophobicContact CG-CG 3.63Å; P455-E458 WeakPolarHBondContact CG-OE1 3.19Å
459	F	92.8	Very high	89.5	Confident	23 Å²	23	61.2 Å²	61.2	10%	0.101	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	105.9	170.6	-64.4	-80.2	0	0	0	109.5	V443 V444 I446 Q457 L461 L486 L526 V527	V443-F459 WeakPolarHBondContact CA-O 3.49Å; V444-F459 HydrophobicContact CB-CB 4.41Å; V444-F459 PolarHBondContact N-O 2.82Å; V444-F459 PolarHBondContact O-N 3.34Å; I446-F459 HydrophobicContact CD1-CD2 4.16Å; I446-F459 HydrophobicContact CD1-CE2 3.84Å; Q457-F459 HydrophobicContact CG-CD2 4.35Å; Q457-F459 HydrophobicContact CG-CE2 3.8Å; Q457-F459 HydrophobicContact CG-CZ 4.09Å; F459-L461 PolarHBondContact O-N 3.39Å; F459-L486 HydrophobicContact CB-CD2 4.33Å; F459-L486 HydrophobicContact CG-CD2 4.37Å; F459-L526 HydrophobicContact CD1-CB 4.36Å; F459-L526 HydrophobicContact CD1-CD1 4.39Å; F459-L526 HydrophobicContact CE1-CB 3.82Å; F459-L526 HydrophobicContact CZ-CB 4.29Å; F459-V527 HydrophobicContact CD2-CG1 4.23Å; F459-V527 HydrophobicContact CE2-CB 3.91Å; F459-V527 HydrophobicContact CE2-CG1 3.58Å; F459-V527 HydrophobicContact CZ-CB 3.91Å; F459-V527 HydrophobicContact CZ-CG1 3.89Å
460	A	94.6	Very high	89.7	Confident	58 Å²	58	61 Å²	61	48%	0.479	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	126.6	163.9	0	0	0	0	0	109	V443 Y465	V443-A460 HydrophobicContact CG2-CB 4.42Å; A460-Y465 WeakPolarHBondContact O-CE2 3.36Å
461	L	94.5	Very high	90	Very high	13 Å²	13	60.5 Å²	60.5	7%	0.068	33%	0.331	C	S	.	.			trans	-69.9	143.2	179.1	-65.5	176	0	0	0	110.3	L438 K442 V444 F459 Y465 I544 A547 L548	L438-L461 HydrophobicContact CD1-CD1 4.22Å; K442-L461 PolarHBondContact O-N 2.87Å; V444-L461 HydrophobicContact CG2-CD1 4.49Å; V444-L461 HydrophobicContact CG2-CD2 3.83Å; V444-L461 HydrophobicContact CG2-CG 4.21Å; F459-L461 PolarHBondContact O-N 3.39Å; L461-Y465 HydrophobicContact CD2-CD2 4.49Å; L461-I544 HydrophobicContact CD2-CG2 4.36Å; L461-A547 HydrophobicContact CD1-CB 3.72Å; L461-L548 HydrophobicContact CB-CD2 4.15Å; L461-L548 HydrophobicContact CD2-CD2 4.38Å
462	Q	92.8	Very high	90.5	Very high	82 Å²	82	56.1 Å²	56.1	38%	0.383	31%	0.307	S	S	.	.			trans	-131.2	151.1	177.7	-60.9	-175.4	-13.4	0	0	108.7	T464 Y465 L548	Q462-T464 PolarHBondContact O-N 2.92Å; Q462-T464 VanDerWaalsContact O-N 3.13Å; Q462-Y465 HydrophobicContact CB-CD1 3.89Å; Q462-Y465 HydrophobicContact CB-CD2 4.37Å; Q462-Y465 HydrophobicContact CB-CE1 3.82Å; Q462-Y465 HydrophobicContact CB-CE2 4.32Å; Q462-Y465 HydrophobicContact CB-CG 4.16Å; Q462-Y465 HydrophobicContact CG-CE1 4Å; Q462-Y465 HydrophobicContact CG-CE2 4.18Å; Q462-Y465 WeakPolarHBondContact O-CB 3.38Å; Q462-Y465 PolarHBondContact O-N 2.84Å; Q462-L548 WeakPolarHBondContact O-CD2 3.45Å
463	P	91.9	Very high	90.9	Very high	37 Å²	37	54.6 Å²	54.6	24%	0.24	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.8	-179.3	-23.9	34.1	0	0	0	113.3	Y465 L551 A553 L661 C664 V666	P463-Y465 PolarHBondContact O-N 3.18Å; P463-L551 HydrophobicContact CG-CD2 3.96Å; P463-A553 HydrophobicContact CB-CB 4.48Å; P463-A553 HydrophobicContact CG-CB 3.48Å; P463-A553 VanDerWaalsContact CG-CB 3.48Å; P463-L661 HydrophobicContact CB-CD1 3.7Å; P463-L661 HydrophobicContact CG-CD1 4Å; P463-C664 PolarHBondContact O-SG 2.99Å; P463-V666 HydrophobicContact CB-CG2 4.39Å
464	T	92.3	Very high	91.5	Very high	37 Å²	37	50.6 Å²	50.6	23%	0.227	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-0.4	178	58.9	0	0	0	0	113.8	Q462 H488 V489	Q462-T464 PolarHBondContact O-N 2.92Å; Q462-T464 VanDerWaalsContact O-N 3.13Å; T464-H488 VanDerWaalsContact CB-CD2 3.49Å; T464-H488 WeakPolarHBondContact CB-CD2 3.19Å; T464-H488 WeakPolarHBondContact CB-NE2 3.38Å; T464-H488 PolarHBondContact OG1-CD2 2.83Å; T464-H488 PolarHBondContact OG1-NE2 3.49Å; T464-V489 PolarHBondContact O-N 3.36Å
465	Y	94.6	Very high	91.8	Very high	31 Å²	31	49.4 Å²	49.4	12%	0.122	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	140.4	175.9	-65.9	4	0	0	0	110.5	A460 L461 Q462 P463 Q487 H488 L526	A460-Y465 WeakPolarHBondContact O-CE2 3.36Å; L461-Y465 HydrophobicContact CD2-CD2 4.49Å; Q462-Y465 HydrophobicContact CB-CD1 3.89Å; Q462-Y465 HydrophobicContact CB-CD2 4.37Å; Q462-Y465 HydrophobicContact CB-CE1 3.82Å; Q462-Y465 HydrophobicContact CB-CE2 4.32Å; Q462-Y465 HydrophobicContact CB-CG 4.16Å; Q462-Y465 HydrophobicContact CG-CE1 4Å; Q462-Y465 HydrophobicContact CG-CE2 4.18Å; Q462-Y465 WeakPolarHBondContact O-CB 3.38Å; Q462-Y465 PolarHBondContact O-N 2.84Å; P463-Y465 PolarHBondContact O-N 3.18Å; Y465-Q487 WeakPolarHBondContact CA-O 3.38Å; Y465-H488 HydrophobicContact CD1-CB 3.78Å; Y465-H488 AromaticContact CD1-CG 3.92Å; Y465-H488 HydrophobicContact CE1-CB 3.8Å; Y465-H488 AromaticContact CE1-CG 3.76Å; Y465-H488 AromaticContact CE1-ND1 3.96Å; Y465-L526 HydrophobicContact CD1-CD1 4.17Å; Y465-L526 HydrophobicContact CD2-CD1 3.88Å; Y465-L526 HydrophobicContact CE1-CD1 3.86Å; Y465-L526 HydrophobicContact CE2-CD1 3.54Å; Y465-L526 HydrophobicContact CG-CD1 4.2Å
466	C	93.4	Very high	91.6	Very high	33 Å²	33	49.6 Å²	49.6	22%	0.223	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	162.1	167	66.1	0	0	0	0	111.2	Q487 V489	C466-Q487 PolarHBondContact N-O 3.47Å; C466-Q487 WeakPolarHBondContact O-CG 3.21Å; C466-Q487 PolarHBondContact O-N 2.97Å; C466-Q487 PolarHBondContact SG-NE2 3.46Å; C466-Q487 VanDerWaalsContact SG-NE2 3.36Å; C466-V489 WeakPolarHBondContact SG-CG2 3.29Å
467	L	94.1	Very high	90.8	Very high	18 Å²	18	50 Å²	50	9%	0.094	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	148.9	163.3	-70.4	174.5	0	0	0	109.8	T484 K485 L486 V541 I544	L467-T484 HydrophobicContact CD2-CG2 4.22Å; L467-K485 WeakPolarHBondContact CA-O 3.39Å; L467-L486 HydrophobicContact CD2-CB 3.99Å; L467-L486 HydrophobicContact CD2-CD1 3.96Å; L467-L486 HydrophobicContact CG-CD1 4.42Å; L467-V541 HydrophobicContact CD1-CB 4.12Å; L467-V541 HydrophobicContact CD1-CG1 4.05Å; L467-V541 HydrophobicContact CD1-CG2 4.05Å; L467-I544 HydrophobicContact CD1-CB 3.71Å; L467-I544 HydrophobicContact CD1-CG1 4.34Å; L467-I544 HydrophobicContact CD1-CG2 3.69Å; L467-I544 HydrophobicContact CG-CG2 4.08Å
468	T	93.3	Very high	89.8	Confident	21 Å²	21	52.6 Å²	52.6	13%	0.129	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-78.6	154.8	163.8	63.1	0	0	0	0	110.1	T484 K485	T468-T484 PolarHBondContact N-OG1 3.22Å; T468-T484 PolarHBondContact O-OG1 2.94Å; T468-T484 PolarHBondContact OG1-OG1 3.26Å; T468-K485 HydrophobicContact CG2-CB 3.93Å; T468-K485 HydrophobicContact CG2-CD 4.17Å; T468-K485 HydrophobicContact CG2-CG 4.12Å; T468-K485 PolarHBondContact N-O 3.02Å; T468-K485 PolarHBondContact OG1-N 3.28Å
469	T	88.6	Confident	89.2	Confident	56 Å²	56	48.5 Å²	48.5	34%	0.344	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-49.8	144.9	161.1	46.4	0	0	0	0	110.7	W271 A471	W271-T469 HydrophobicContact CG-CG2 4.49Å; T469-A471 PolarHBondContact O-N 3.02Å
470	V	92.1	Very high	89.1	Confident	45 Å²	45	51.7 Å²	51.7	27%	0.273	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-63.2	129.4	176.1	174.1	0	0	0	0	109	H482 L537 V541	V470-H482 HydrophobicContact CG1-CB 3.8Å; V470-L537 HydrophobicContact CG1-CD2 3.86Å; V470-L537 HydrophobicContact CG2-CD2 3.87Å; V470-L537 HydrophobicContact CG2-CG 4.26Å; V470-V541 HydrophobicContact CG2-CG2 4.12Å
471	A	91.5	Very high	89.1	Confident	36 Å²	36	48.9 Å²	48.9	30%	0.298	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.1	177.6	0	0	0	0	0	109.9	T469 Q473 A483	T469-A471 PolarHBondContact O-N 3.02Å; A471-Q473 PolarHBondContact O-N 3.06Å; A471-A483 PolarHBondContact N-O 3.47Å; A471-A483 PolarHBondContact O-N 3.48Å
472	L	90.5	Very high	89	Confident	48 Å²	48	48.5 Å²	48.5	25%	0.251	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.3	176	-63.5	-176.4	0	0	0	110.6	K480 V786 Y787	L472-K480 HydrophobicContact CB-CD 4.2Å; L472-K480 HydrophobicContact CD1-CD 3.79Å; L472-V786 HydrophobicContact CD1-CG1 3.84Å; L472-V786 HydrophobicContact CD2-CG1 3.64Å; L472-V786 HydrophobicContact CD2-CG2 4.25Å; L472-V786 HydrophobicContact CG-CG1 4.41Å; L472-Y787 HydrophobicContact CD1-CE2 3.89Å
473	Q	91	Very high	89.2	Confident	27 Å²	27	44.6 Å²	44.6	13%	0.126	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	157.7	170.6	-73.7	171	65.1	0	0	109.1	W431 A471 Y475 K480 I481 A483	W431-Q473 HydrophobicContact CZ2-CB 4.2Å; A471-Q473 PolarHBondContact O-N 3.06Å; Q473-Y475 PolarHBondContact O-N 3.02Å; Q473-K480 CarbonylContact O-C 3.56Å; Q473-K480 VanDerWaalsContact O-CA 3.32Å; Q473-K480 WeakPolarHBondContact O-CA 3.42Å; Q473-I481 PolarHBondContact N-O 3.33Å; Q473-I481 PolarHBondContact O-N 3.17Å; Q473-A483 HydrophobicContact CB-CB 4.19Å; Q473-A483 HydrophobicContact CG-CB 4.2Å
474	Q	89.1	Confident	89.4	Confident	128 Å²	128	42.8 Å²	42.8	60%	0.598	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	134.1	176.2	-173.3	174.1	6.1	0	0	110.5	W431 D476	W431-Q474 PolarHBondContact NE1-O 3.33Å; Q474-D476 WeakPolarHBondContact CG-O 3.42Å; Q474-D476 PolarHBondContact NE2-O 2.87Å
475	Y	88.1	Confident	89.5	Confident	69 Å²	69	42.8 Å²	42.8	27%	0.271	23%	0.229	S	C	.	.			trans	-89.7	-64.8	175.7	-176.9	-115	0	0	0	109.7	H416 W431 Q473 G479 I481 L532	H416-Y475 AromaticContact CD2-CE2 3.96Å; W431-Y475 HydrophobicContact CB-CD2 4.04Å; W431-Y475 HydrophobicContact CB-CE2 3.78Å; W431-Y475 AromaticContact CD1-CD2 3.54Å; W431-Y475 AromaticContact CG-CD2 3.92Å; W431-Y475 HydrophobicContact CG-CD2 3.92Å; W431-Y475 HydrophobicContact CG-CE2 4.18Å; Q473-Y475 PolarHBondContact O-N 3.02Å; Y475-G479 WeakPolarHBondContact CB-O 3.25Å; Y475-G479 PolarHBondContact N-O 3.29Å; Y475-I481 HydrophobicContact CD2-CB 3.99Å; Y475-I481 HydrophobicContact CD2-CD1 3.82Å; Y475-I481 HydrophobicContact CD2-CG1 4.38Å; Y475-I481 HydrophobicContact CD2-CG2 4.22Å; Y475-I481 HydrophobicContact CE2-CD1 4.12Å; Y475-I481 HydrophobicContact CG-CB 4.36Å; Y475-L532 HydrophobicContact CD1-CD2 4.48Å; Y475-L532 HydrophobicContact CD2-CD2 4.34Å; Y475-L532 HydrophobicContact CG-CD2 4.33Å
476	D	82.7	Confident	89.5	Confident	40 Å²	40	41.4 Å²	41.4	21%	0.214	22%	0.224	C	C	.	.	S	Bend	trans	-135.8	-157.8	177.3	57.6	29.6	0	0	0	109.5	Q474 F478 G479	Q474-D476 WeakPolarHBondContact CG-O 3.42Å; Q474-D476 PolarHBondContact NE2-O 2.87Å; D476-F478 VanDerWaalsContact C-N 3.26Å; D476-F478 PolarHBondContact O-N 2.83Å; D476-F478 PolarHBondContact OD1-N 2.91Å; D476-G479 PolarHBondContact OD1-N 2.97Å
477	S	75.8	Confident	89.6	Confident	96 Å²	96	40.4 Å²	40.4	67%	0.671	22%	0.216	S	C	*	.	S	Bend	trans	-69	-17.4	178.7	-57.4	0	0	0	0	114.9
478	F	69.6	Low	89.6	Confident	103 Å²	103	41.4 Å²	41.4	45%	0.452	22%	0.22	S	C	.	.	S	Bend	trans	-122.7	-23.8	-168.2	-50.5	-69.5	0	0	0	113.4	D476	D476-F478 VanDerWaalsContact C-N 3.26Å; D476-F478 PolarHBondContact O-N 2.83Å; D476-F478 PolarHBondContact OD1-N 2.91Å
479	G	80.9	Confident	89.6	Confident	18 Å²	18	40.9 Å²	40.9	19%	0.186	22%	0.217	C	C	.	.			trans	-117.6	156.7	-170.9	0	0	0	0	0	115.1	Y475 D476	Y475-G479 WeakPolarHBondContact CB-O 3.25Å; Y475-G479 PolarHBondContact N-O 3.29Å; D476-G479 PolarHBondContact OD1-N 2.97Å
480	K	90	Very high	89.7	Confident	89 Å²	89	41.8 Å²	41.8	39%	0.387	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	156.7	165.7	-60	178.7	-172.5	179.3	0	109	L472 Q473 E784 V786	L472-K480 HydrophobicContact CB-CD 4.2Å; L472-K480 HydrophobicContact CD1-CD 3.79Å; Q473-K480 CarbonylContact O-C 3.56Å; Q473-K480 VanDerWaalsContact O-CA 3.32Å; Q473-K480 WeakPolarHBondContact O-CA 3.42Å; K480-E784 IonicContact NZ-OE1 3.85Å; K480-E784 PolarHBondContact NZ-OE1 3.13Å; K480-V786 HydrophobicContact CB-CB 4.16Å; K480-V786 HydrophobicContact CB-CG1 4.16Å; K480-V786 HydrophobicContact CB-CG2 4.49Å; K480-V786 WeakPolarHBondContact O-CG2 3.18Å
481	I	93.4	Very high	89.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	142	173.9	-170.5	173.8	0	0	0	109.1	H416 W431 Q473 Y475 S531 L532	H416-I481 HydrophobicContact CB-CD1 3.88Å; W431-I481 HydrophobicContact CD2-CD1 4.32Å; W431-I481 HydrophobicContact CD2-CG2 4.23Å; W431-I481 HydrophobicContact CE3-CD1 4.44Å; W431-I481 HydrophobicContact CH2-CG2 4.39Å; W431-I481 HydrophobicContact CZ2-CG2 3.66Å; Q473-I481 PolarHBondContact N-O 3.33Å; Q473-I481 PolarHBondContact O-N 3.17Å; Y475-I481 HydrophobicContact CD2-CB 3.99Å; Y475-I481 HydrophobicContact CD2-CD1 3.82Å; Y475-I481 HydrophobicContact CD2-CG1 4.38Å; Y475-I481 HydrophobicContact CD2-CG2 4.22Å; Y475-I481 HydrophobicContact CE2-CD1 4.12Å; Y475-I481 HydrophobicContact CG-CB 4.36Å; I481-S531 VanDerWaalsContact CG1-C 3.44Å; I481-S531 WeakPolarHBondContact CG1-O 3.13Å; I481-L532 HydrophobicContact CB-CD2 4.17Å; I481-L532 HydrophobicContact CD1-CD2 4.4Å; I481-L532 HydrophobicContact CG1-CD2 4.02Å
482	H	94.1	Very high	89.4	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.019	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	130.3	169.2	-64.8	-80.4	0	0	0	108.4	V470 G530 S531 L537 Y787	V470-H482 HydrophobicContact CG1-CB 3.8Å; H482-G530 CarbonylContact O-C 3.6Å; H482-G530 WeakPolarHBondContact O-CA 3.19Å; H482-S531 WeakPolarHBondContact CB-O 3.23Å; H482-S531 PolarHBondContact N-O 3.3Å; H482-S531 PolarHBondContact O-N 2.95Å; H482-L537 VanDerWaalsContact C-CD2 3.48Å; H482-L537 HydrophobicContact CB-CD2 3.65Å; H482-L537 WeakPolarHBondContact O-CD2 3.23Å; H482-Y787 AromaticContact CE1-CD1 3.91Å; H482-Y787 AromaticContact CE1-CE1 3.49Å; H482-Y787 VanDerWaalsContact CE1-CE1 3.49Å; H482-Y787 WeakPolarHBondContact CE1-CE1 3.39Å; H482-Y787 AromaticContact CE1-CZ 3.78Å
483	A	96	Very high	89.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138	-175.2	0	0	0	0	0	113.8	W431 A471 Q473 F529	W431-A483 HydrophobicContact CH2-CB 3.74Å; W431-A483 HydrophobicContact CZ2-CB 4.2Å; A471-A483 PolarHBondContact N-O 3.47Å; A471-A483 PolarHBondContact O-N 3.48Å; Q473-A483 HydrophobicContact CB-CB 4.19Å; Q473-A483 HydrophobicContact CG-CB 4.2Å; A483-F529 CarbonylContact C-O 3.58Å; A483-F529 VanDerWaalsContact CA-O 3.25Å; A483-F529 WeakPolarHBondContact CA-O 3.5Å; A483-F529 WeakPolarHBondContact CB-O 3.36Å
484	T	96	Very high	88.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	162.5	171.1	-177	0	0	0	0	110.3	L467 T468 K528 F529 L537 F540 V541	L467-T484 HydrophobicContact CD2-CG2 4.22Å; T468-T484 PolarHBondContact N-OG1 3.22Å; T468-T484 PolarHBondContact O-OG1 2.94Å; T468-T484 PolarHBondContact OG1-OG1 3.26Å; T484-K528 WeakPolarHBondContact O-CA 3.47Å; T484-F529 HydrophobicContact CG2-CB 4.07Å; T484-F529 PolarHBondContact N-O 2.97Å; T484-F529 PolarHBondContact O-N 3.48Å; T484-L537 HydrophobicContact CG2-CD1 4.15Å; T484-F540 HydrophobicContact CG2-CE1 4.42Å; T484-V541 HydrophobicContact CG2-CG2 4.05Å
485	K	95.2	Very high	87.7	Confident	37 Å²	37	48.4 Å²	48.4	16%	0.161	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.3	178	-40.4	177.6	-165.7	168	0	108.8	F268 L467 T468 Q525 V527 K528	F268-K485 VanDerWaalsContact CE1-NZ 3.26Å; F268-K485 VanDerWaalsContact CZ-NZ 3.34Å; L467-K485 WeakPolarHBondContact CA-O 3.39Å; T468-K485 HydrophobicContact CG2-CB 3.93Å; T468-K485 HydrophobicContact CG2-CD 4.17Å; T468-K485 HydrophobicContact CG2-CG 4.12Å; T468-K485 PolarHBondContact N-O 3.02Å; T468-K485 PolarHBondContact OG1-N 3.28Å; K485-Q525 HydrophobicContact CB-CG 4.13Å; K485-Q525 HydrophobicContact CD-CG 4.34Å; K485-V527 WeakPolarHBondContact CA-O 3.41Å; K485-K528 HydrophobicContact CG-CG 4.21Å
486	L	95.1	Very high	86.5	Confident	2 Å²	2	46 Å²	46	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121	163.2	-174.9	67.3	0	0	0	107.5	F459 L467 L526 V527 F529	F459-L486 HydrophobicContact CB-CD2 4.33Å; F459-L486 HydrophobicContact CG-CD2 4.37Å; L467-L486 HydrophobicContact CD2-CB 3.99Å; L467-L486 HydrophobicContact CD2-CD1 3.96Å; L467-L486 HydrophobicContact CG-CD1 4.42Å; L486-L526 HydrophobicContact CD2-CD1 4.38Å; L486-L526 HydrophobicContact CG-CD1 4.3Å; L486-L526 WeakPolarHBondContact O-CB 3.44Å; L486-L526 PolarHBondContact O-N 3.33Å; L486-V527 HydrophobicContact CB-CG1 3.84Å; L486-V527 HydrophobicContact CD2-CG1 4.24Å; L486-V527 PolarHBondContact N-O 3.3Å; L486-V527 PolarHBondContact O-N 3.47Å; L486-F529 HydrophobicContact CB-CE2 4.15Å
487	Q	94.6	Very high	85.2	Confident	11 Å²	11	47.7 Å²	47.7	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.3	-174.7	59.4	177.8	0.5	0	0	111.2	Y465 C466 T523 V524	Y465-Q487 WeakPolarHBondContact CA-O 3.38Å; C466-Q487 PolarHBondContact N-O 3.47Å; C466-Q487 WeakPolarHBondContact O-CG 3.21Å; C466-Q487 PolarHBondContact O-N 2.97Å; C466-Q487 PolarHBondContact SG-NE2 3.46Å; C466-Q487 VanDerWaalsContact SG-NE2 3.36Å; Q487-T523 VanDerWaalsContact OE1-CB 3.25Å; Q487-T523 PolarHBondContact OE1-OG1 3.23Å; Q487-T523 VanDerWaalsContact OE1-OG1 3.06Å; Q487-V524 WeakPolarHBondContact CA-O 3.35Å
488	H	94.3	Very high	84.3	Confident	39 Å²	39	43.4 Å²	43.4	18%	0.181	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.8	168	-176.9	178.8	0	0	0	108.1	T464 Y465 L490 T523 V524 L526	T464-H488 VanDerWaalsContact CB-CD2 3.49Å; T464-H488 WeakPolarHBondContact CB-CD2 3.19Å; T464-H488 WeakPolarHBondContact CB-NE2 3.38Å; T464-H488 PolarHBondContact OG1-CD2 2.83Å; T464-H488 PolarHBondContact OG1-NE2 3.49Å; Y465-H488 HydrophobicContact CD1-CB 3.78Å; Y465-H488 AromaticContact CD1-CG 3.92Å; Y465-H488 HydrophobicContact CE1-CB 3.8Å; Y465-H488 AromaticContact CE1-CG 3.76Å; Y465-H488 AromaticContact CE1-ND1 3.96Å; H488-L490 WeakPolarHBondContact NE2-CD2 3.42Å; H488-T523 CarbonylContact O-C 3.51Å; H488-T523 WeakPolarHBondContact O-CA 3.35Å; H488-V524 HydrophobicContact CB-CB 4.4Å; H488-V524 PolarHBondContact N-O 3.46Å; H488-V524 PolarHBondContact O-N 3.19Å; H488-L526 HydrophobicContact CB-CD1 4.45Å; H488-L526 HydrophobicContact CB-CD2 4.32Å; H488-L526 HydrophobicContact CB-CG 4.47Å
489	V	93.8	Very high	83.3	Confident	11 Å²	11	43.3 Å²	43.3	7%	0.067	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.3	176.9	-167	0	0	0	0	109.4	T272 T464 C466 Y491 A521 T523	T272-V489 HydrophobicContact CG2-CG1 4.28Å; T272-V489 HydrophobicContact CG2-CG2 3.78Å; T464-V489 PolarHBondContact O-N 3.36Å; C466-V489 WeakPolarHBondContact SG-CG2 3.29Å; V489-Y491 HydrophobicContact CB-CE2 4.42Å; V489-Y491 HydrophobicContact CG1-CD2 4.15Å; V489-Y491 HydrophobicContact CG1-CE2 3.53Å; V489-A521 HydrophobicContact CG1-CB 3.71Å; V489-T523 HydrophobicContact CB-CG2 4.39Å; V489-T523 HydrophobicContact CG1-CG2 4.16Å; V489-T523 HydrophobicContact CG2-CG2 4.03Å
490	L	91.1	Very high	82.2	Confident	75 Å²	75	45.5 Å²	45.5	39%	0.393	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.9	176.7	-70.1	171.8	0	0	0	109.1	H488 Q522	H488-L490 WeakPolarHBondContact NE2-CD2 3.42Å; L490-Q522 PolarHBondContact N-O 2.95Å; L490-Q522 WeakPolarHBondContact O-CB 3.48Å; L490-Q522 PolarHBondContact O-N 3.44Å
491	Y	90.4	Very high	80.6	Confident	45 Å²	45	41.8 Å²	41.8	18%	0.176	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	150.4	179.2	-63.7	-100.6	0	0	0	111.4	V489 H519 A521 L596 F598 A663	V489-Y491 HydrophobicContact CB-CE2 4.42Å; V489-Y491 HydrophobicContact CG1-CD2 4.15Å; V489-Y491 HydrophobicContact CG1-CE2 3.53Å; Y491-H519 HydrophobicContact CD1-CB 4.44Å; Y491-A521 HydrophobicContact CD1-CB 3.51Å; Y491-A521 HydrophobicContact CD2-CB 4.49Å; Y491-A521 HydrophobicContact CE1-CB 3.39Å; Y491-A521 HydrophobicContact CE2-CB 4.39Å; Y491-A521 HydrophobicContact CG-CB 4.1Å; Y491-L596 HydrophobicContact CD2-CD1 4.42Å; Y491-L596 HydrophobicContact CE1-CD1 4.49Å; Y491-L596 HydrophobicContact CE1-CD2 3.74Å; Y491-L596 HydrophobicContact CE2-CD1 3.92Å; Y491-L596 HydrophobicContact CE2-CD2 4.45Å; Y491-L596 WeakPolarHBondContact OH-CD2 3.35Å; Y491-F598 HydrophobicContact CD1-CE1 4Å; Y491-F598 AromaticContact CD1-CZ 3.46Å; Y491-F598 HydrophobicContact CD1-CZ 3.46Å; Y491-F598 VanDerWaalsContact CD1-CZ 3.46Å; Y491-F598 HydrophobicContact CD2-CE1 4.2Å; Y491-F598 HydrophobicContact CD2-CZ 4.21Å; Y491-F598 AromaticContact CE1-CZ 3.91Å; Y491-F598 HydrophobicContact CE1-CZ 3.91Å; Y491-F598 AromaticContact CG-CE1 3.67Å; Y491-F598 HydrophobicContact CG-CE1 3.67Å; Y491-F598 AromaticContact CG-CZ 3.62Å; Y491-F598 HydrophobicContact CG-CZ 3.62Å; Y491-A663 WeakPolarHBondContact CD2-O 3.49Å; Y491-A663 WeakPolarHBondContact CE2-O 3.32Å
492	K	86.2	Confident	78.8	Confident	109 Å²	109	46.9 Å²	46.9	47%	0.474	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	136.4	170.5	-67.1	-175.7	-178.3	156	0	109.7	R494 A520	K492-R494 PolarHBondContact O-N 2.64Å; K492-A520 PolarHBondContact N-O 3.42Å; K492-A520 PolarHBondContact O-N 3.03Å
493	E	85.3	Confident	76.8	Confident	52 Å²	52	50.5 Å²	50.5	24%	0.243	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	131.2	162.2	-62.9	-176.8	158.7	0	0	109.8	E518 K562	E493-E518 CarbonylContact C-O 3.55Å; E493-E518 WeakPolarHBondContact CA-O 3.42Å; E493-K562 WeakPolarHBondContact OE1-CB 3.35Å; E493-K562 PolarHBondContact OE1-N 2.77Å; E493-K562 IonicContact OE2-NZ 2.6Å; E493-K562 PolarHBondContact OE2-NZ 2.72Å
494	R	79.8	Confident	74.8	Confident	140 Å²	140	56 Å²	56	53%	0.528	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.8	167.3	-72.3	-171.3	165.3	-172.5	-10.9	108.9	K492 G496 L517 E518 A520	K492-R494 PolarHBondContact O-N 2.64Å; R494-G496 PolarHBondContact O-N 2.89Å; R494-L517 CarbonylContact O-C 3.59Å; R494-L517 WeakPolarHBondContact O-CA 3.39Å; R494-E518 PolarHBondContact N-O 3.31Å; R494-E518 PolarHBondContact O-N 2.84Å; R494-A520 HydrophobicContact CB-CB 4.38Å; R494-A520 HydrophobicContact CG-CB 4.11Å
495	V	69.5	Low	72.7	Confident	76 Å²	76	59.3 Å²	59.3	46%	0.461	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	124.5	163.8	171.6	0	0	0	0	108.1	M515 L517	V495-M515 HydrophobicContact CG1-CB 3.42Å; V495-M515 VanDerWaalsContact CG1-CB 3.42Å; V495-M515 HydrophobicContact CG1-CE 3.48Å; V495-M515 VanDerWaalsContact CG1-CE 3.48Å; V495-M515 HydrophobicContact CG1-CG 3.83Å; V495-L517 HydrophobicContact CG2-CD2 3.82Å
496	G	62.5	Low	70.8	Confident	19 Å²	19	63.6 Å²	63.6	20%	0.196	34%	0.343	C	S	.	.			trans	-171.5	136.7	-174.8	0	0	0	0	0	111.6	R494 P516	R494-G496 PolarHBondContact O-N 2.89Å; G496-P516 PolarHBondContact N-O 3.34Å
497	I	55.7	Low	69	Low	75 Å²	75	70.1 Å²	70.1	39%	0.385	37%	0.373	S	S	.	.			trans	-98.5	111.3	-179.1	-57.8	171.4	0	0	0	108.1	I502 L505 M515	I497-I502 HydrophobicContact CG2-CG1 4.09Å; I497-L505 HydrophobicContact CD1-CD1 4.34Å; I497-L505 HydrophobicContact CD1-CD2 4.28Å; I497-L505 HydrophobicContact CG1-CD1 4.46Å; I497-M515 HydrophobicContact CD1-CE 4Å; I497-M515 HydrophobicContact CD1-SD 4.07Å; I497-M515 HydrophobicContact CG1-CE 4.02Å; I497-M515 HydrophobicContact CG1-SD 4.37Å
498	R	56.3	Low	67	Low	6 Å²	6	71.6 Å²	71.6	2%	0.023	39%	0.391	C	S	.	.			trans	-68.2	139.5	170.4	-66.8	-174.4	171.9	158.7	7.5	110.1	F274 G500 Q501 E518 E565	F274-R498 HydrophobicContact CD1-CG 4.41Å; F274-R498 HydrophobicContact CE1-CB 4.3Å; F274-R498 HydrophobicContact CE1-CG 3.81Å; F274-R498 HydrophobicContact CZ-CG 4.47Å; R498-G500 PolarHBondContact O-N 2.83Å; R498-G500 VanDerWaalsContact O-N 3.1Å; R498-Q501 HydrophobicContact CB-CG 4.17Å; R498-Q501 VanDerWaalsContact N-OE1 3.16Å; R498-Q501 PolarHBondContact O-N 2.98Å; R498-E518 IonicContact CZ-OE1 2.69Å; R498-E518 IonicContact NE-OE1 3.54Å; R498-E518 PolarHBondContact NE-OE1 3.4Å; R498-E518 IonicContact NH2-OE1 3.83Å; R498-E565 IonicContact CZ-OE1 3.69Å; R498-E565 VanDerWaalsContact CZ-OE1 3.24Å; R498-E565 IonicContact CZ-OE2 3.74Å; R498-E565 IonicContact NH1-OE1 3.71Å; R498-E565 PolarHBondContact NH1-OE1 2.89Å; R498-E565 IonicContact NH1-OE2 3.63Å; R498-E565 IonicContact NH2-OE1 3.9Å; R498-E565 PolarHBondContact NH2-OE1 2.85Å; R498-E565 IonicContact NH2-OE2 3.3Å; R498-E565 PolarHBondContact NH2-OE2 2.83Å; R498-E565 VanDerWaalsContact NH2-OE2 3.11Å
499	P	50.4	Low	64.9	Low	102 Å²	102	76 Å²	76	66%	0.662	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	118.9	165.4	-23.4	34.2	0	0	0	109.4
500	G	56	Low	62.7	Low	63 Å²	63	82 Å²	82	65%	0.649	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.8	-15.5	-171.8	0	0	0	0	0	115.8	R498 I502 P503	R498-G500 PolarHBondContact O-N 2.83Å; R498-G500 VanDerWaalsContact O-N 3.1Å; G500-I502 VanDerWaalsContact C-N 3.35Å; G500-P503 VanDerWaalsContact O-CD 3.29Å; G500-P503 WeakPolarHBondContact O-CD 3.46Å
501	Q	57.3	Low	60.8	Low	12 Å²	12	81.3 Å²	81.3	6%	0.056	44%	0.436	C	S	.	.			trans	-86.7	-6	167.4	-76.5	174.1	-28.2	0	0	113	R498 P503 R504 L505	R498-Q501 HydrophobicContact CB-CG 4.17Å; R498-Q501 VanDerWaalsContact N-OE1 3.16Å; R498-Q501 PolarHBondContact O-N 2.98Å; Q501-P503 VanDerWaalsContact C-CD 3.44Å; Q501-P503 VanDerWaalsContact C-N 3.32Å; Q501-R504 PolarHBondContact O-N 2.87Å; Q501-L505 PolarHBondContact O-N 3.42Å
502	I	54.7	Low	58.7	Low	106 Å²	106	89.8 Å²	89.8	54%	0.544	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-39.3	176.8	-55.9	173.9	0	0	0	112.8	I497 G500 L505	I497-I502 HydrophobicContact CG2-CG1 4.09Å; G500-I502 VanDerWaalsContact C-N 3.35Å; I502-L505 WeakPolarHBondContact O-CB 3.43Å; I502-L505 PolarHBondContact O-N 2.98Å
503	P	53.3	Low	56.9	Low	81 Å²	81	89.6 Å²	89.6	53%	0.526	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-40.4	173.8	-23.3	35.8	0	0	0	113.6	G500 Q501 L505 V506 E507	G500-P503 VanDerWaalsContact O-CD 3.29Å; G500-P503 WeakPolarHBondContact O-CD 3.46Å; Q501-P503 VanDerWaalsContact C-CD 3.44Å; Q501-P503 VanDerWaalsContact C-N 3.32Å; P503-L505 PolarHBondContact O-N 3.05Å; P503-V506 WeakPolarHBondContact O-CA 3.4Å; P503-V506 VanDerWaalsContact O-CB 3.27Å; P503-V506 WeakPolarHBondContact O-CB 3.35Å; P503-V506 PolarHBondContact O-N 2.91Å; P503-E507 PolarHBondContact O-N 3.12Å
504	R	53.6	Low	55.3	Low	116 Å²	116	88.4 Å²	88.4	44%	0.438	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.1	176.7	-68.5	-163.5	-170	152.1	4.7	113.1	Q501 V506 E507 E861	Q501-R504 PolarHBondContact O-N 2.87Å; R504-V506 PolarHBondContact O-N 2.74Å; R504-E507 PolarHBondContact O-N 3.16Å; R504-E861 IonicContact CZ-OE1 3.54Å; R504-E861 IonicContact NH1-OE1 3.26Å; R504-E861 PolarHBondContact NH1-OE1 2.8Å; R504-E861 IonicContact NH2-OE1 2.72Å
505	L	51.8	Low	54.4	Low	69 Å²	69	84.5 Å²	84.5	36%	0.361	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21	169.8	-134.3	84	0	0	0	112.5	I497 Q501 I502 P503 P516	I497-L505 HydrophobicContact CD1-CD1 4.34Å; I497-L505 HydrophobicContact CD1-CD2 4.28Å; I497-L505 HydrophobicContact CG1-CD1 4.46Å; Q501-L505 PolarHBondContact O-N 3.42Å; I502-L505 WeakPolarHBondContact O-CB 3.43Å; I502-L505 PolarHBondContact O-N 2.98Å; P503-L505 PolarHBondContact O-N 3.05Å; L505-P516 HydrophobicContact CD1-CG 3.81Å
506	V	55.7	Low	54.1	Low	127 Å²	127	82 Å²	82	77%	0.77	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-26.6	175.9	-168.7	0	0	0	0	111.7	P503 R504 G508	P503-V506 WeakPolarHBondContact O-CA 3.4Å; P503-V506 VanDerWaalsContact O-CB 3.27Å; P503-V506 WeakPolarHBondContact O-CB 3.35Å; P503-V506 PolarHBondContact O-N 2.91Å; R504-V506 PolarHBondContact O-N 2.74Å; V506-G508 VanDerWaalsContact C-N 3.25Å; V506-G508 PolarHBondContact O-N 3.29Å
507	E	57.4	Low	54.7	Low	139 Å²	139	81.3 Å²	81.3	65%	0.65	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	5.6	-177.4	-63.9	178.6	140	0	0	114.3	P503 R504 Q509	P503-E507 PolarHBondContact O-N 3.12Å; R504-E507 PolarHBondContact O-N 3.16Å; E507-Q509 VanDerWaalsContact C-N 3.32Å; E507-Q509 PolarHBondContact O-N 3.48Å
508	G	51.7	Low	55.8	Low	41 Å²	41	78.2 Å²	78.2	42%	0.423	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	11.3	167	0	0	0	0	0	116.4	V506 F510	V506-G508 VanDerWaalsContact C-N 3.25Å; V506-G508 PolarHBondContact O-N 3.29Å; G508-F510 WeakPolarHBondContact O-CD2 3.45Å; G508-F510 PolarHBondContact O-N 3.18Å
509	Q	51.5	Low	57.2	Low	131 Å²	131	78.5 Å²	78.5	61%	0.612	43%	0.43	S	S	*	.			trans	-73.7	63.8	175.2	-69.5	-170.3	-25.3	0	0	112.2	E507 T511	E507-Q509 VanDerWaalsContact C-N 3.32Å; E507-Q509 PolarHBondContact O-N 3.48Å; Q509-T511 PolarHBondContact O-N 2.87Å
510	F	47.5	Very low	58.9	Low	138 Å²	138	74.2 Å²	74.2	61%	0.605	40%	0.403	S	S	*	.			trans	-79.3	116.4	177.1	-60.1	-67.4	0	0	0	111.1	G508 G514	G508-F510 WeakPolarHBondContact O-CD2 3.45Å; G508-F510 PolarHBondContact O-N 3.18Å; F510-G514 WeakPolarHBondContact CD1-O 3.27Å
511	T	49.3	Very low	60.4	Low	61 Å²	61	72.2 Å²	72.2	37%	0.374	38%	0.38	S	S	.	.			trans	-64.3	170.7	158.9	68.9	0	0	0	0	109.8	Q509 L513 G514	Q509-T511 PolarHBondContact O-N 2.87Å; T511-L513 PolarHBondContact O-N 3.16Å; T511-L513 PolarHBondContact OG1-N 3.48Å; T511-G514 PolarHBondContact O-N 2.91Å
512	K	47.9	Very low	62	Low	222 Å²	222	74.6 Å²	74.6	97%	0.965	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-2.9	172.2	-81.2	-171.3	175.4	-178.7	0	115
513	L	48.6	Very low	63.7	Low	106 Å²	106	72.2 Å²	72.2	56%	0.555	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	5.7	174.7	-65.7	171.1	0	0	0	113.5	T511 M515	T511-L513 PolarHBondContact O-N 3.16Å; T511-L513 PolarHBondContact OG1-N 3.48Å; L513-M515 PolarHBondContact O-N 3.49Å
514	G	51.3	Low	65.6	Low	26 Å²	26	72.1 Å²	72.1	27%	0.268	38%	0.379	S	S	.	.	S	Bend	trans	68.6	1.9	169.3	0	0	0	0	0	116.9	F510 T511	F510-G514 WeakPolarHBondContact CD1-O 3.27Å; T511-G514 PolarHBondContact O-N 2.91Å
515	M	60.2	Low	67.4	Low	59 Å²	59	69.6 Å²	69.6	29%	0.291	37%	0.373	S	S	.	.	S	Bend	trans	-140.8	152.9	-173.3	-68.6	-95.3	-73.1	0	0	110.9	V495 I497 L513	V495-M515 HydrophobicContact CG1-CB 3.42Å; V495-M515 VanDerWaalsContact CG1-CB 3.42Å; V495-M515 HydrophobicContact CG1-CE 3.48Å; V495-M515 VanDerWaalsContact CG1-CE 3.48Å; V495-M515 HydrophobicContact CG1-CG 3.83Å; I497-M515 HydrophobicContact CD1-CE 4Å; I497-M515 HydrophobicContact CD1-SD 4.07Å; I497-M515 HydrophobicContact CG1-CE 4.02Å; I497-M515 HydrophobicContact CG1-SD 4.37Å; L513-M515 PolarHBondContact O-N 3.49Å
516	P	64.4	Low	69.4	Low	23 Å²	23	67.9 Å²	67.9	15%	0.149	36%	0.363	C	S	.	.			trans	-60.8	153.7	169.8	-20.8	32.5	0	0	0	112.6	G496 L505	G496-P516 PolarHBondContact N-O 3.34Å; L505-P516 HydrophobicContact CD1-CG 3.81Å
517	L	73.3	Confident	71.2	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	155	173.8	-62.5	169.2	0	0	0	110.6	R494 V495 K562 Q563	R494-L517 CarbonylContact O-C 3.59Å; R494-L517 WeakPolarHBondContact O-CA 3.39Å; V495-L517 HydrophobicContact CG2-CD2 3.82Å; L517-K562 HydrophobicContact CD1-CB 3.48Å; L517-K562 VanDerWaalsContact CD1-CB 3.48Å; L517-K562 HydrophobicContact CD1-CD 3.94Å; L517-K562 HydrophobicContact CD1-CG 4.3Å; L517-Q563 HydrophobicContact CB-CB 4.43Å; L517-Q563 VanDerWaalsContact N-OE1 3.07Å; L517-Q563 PolarHBondContact O-NE2 3.06Å; L517-Q563 PolarHBondContact O-OE1 3.37Å; L517-Q563 VanDerWaalsContact O-OE1 3.05Å
518	E	78.9	Confident	73	Confident	10 Å²	10	57.1 Å²	57.1	5%	0.047	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	140	173.3	173.4	169.8	-111.2	0	0	111.1	F274 N275 E493 R494 R498 A520	F274-E518 WeakPolarHBondContact CD1-OE1 3.31Å; N275-E518 PolarHBondContact ND2-OE2 3.07Å; E493-E518 CarbonylContact C-O 3.55Å; E493-E518 WeakPolarHBondContact CA-O 3.42Å; R494-E518 PolarHBondContact N-O 3.31Å; R494-E518 PolarHBondContact O-N 2.84Å; R498-E518 IonicContact CZ-OE1 2.69Å; R498-E518 IonicContact NE-OE1 3.54Å; R498-E518 PolarHBondContact NE-OE1 3.4Å; R498-E518 IonicContact NH2-OE1 3.83Å; E518-A520 PolarHBondContact O-N 3.23Å
519	H	86.3	Confident	75.1	Confident	12 Å²	12	55.2 Å²	55.2	6%	0.056	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	83.8	171.2	-57	102.3	0	0	0	111.9	Y491 A521 Y561 Q563 E565 F598	Y491-H519 HydrophobicContact CD1-CB 4.44Å; H519-A521 PolarHBondContact O-N 3.38Å; H519-Y561 AromaticContact NE2-CD1 3.77Å; H519-Q563 PolarHBondContact CE1-O 2.83Å; H519-E565 IonicContact CE1-OE2 3.18Å; H519-E565 IonicContact CG-OE2 3.69Å; H519-E565 IonicContact ND1-OE2 3.29Å; H519-E565 PolarHBondContact ND1-OE2 2.84Å; H519-F598 HydrophobicContact CB-CD1 4.17Å; H519-F598 HydrophobicContact CB-CD2 3.76Å; H519-F598 HydrophobicContact CB-CE1 3.86Å; H519-F598 HydrophobicContact CB-CE2 3.39Å; H519-F598 HydrophobicContact CB-CG 4.12Å; H519-F598 HydrophobicContact CB-CZ 3.45Å; H519-F598 VanDerWaalsContact CB-CZ 3.45Å; H519-F598 AromaticContact CD2-CD1 3.59Å; H519-F598 AromaticContact CD2-CD2 3.92Å; H519-F598 AromaticContact CD2-CG 3.48Å; H519-F598 VanDerWaalsContact CD2-CG 3.48Å; H519-F598 WeakPolarHBondContact CD2-CG 3.33Å; H519-F598 AromaticContact CE1-CD2 3.82Å; H519-F598 AromaticContact CE1-CG 3.69Å; H519-F598 AromaticContact CG-CD1 3.75Å; H519-F598 AromaticContact CG-CD2 3.34Å; H519-F598 AromaticContact CG-CE1 3.97Å; H519-F598 AromaticContact CG-CE2 3.57Å; H519-F598 AromaticContact CG-CG 3.42Å; H519-F598 VanDerWaalsContact CG-CG 3.42Å; H519-F598 AromaticContact CG-CZ 3.87Å; H519-F598 AromaticContact ND1-CD2 3.28Å; H519-F598 VanDerWaalsContact ND1-CD2 3.28Å; H519-F598 WeakPolarHBondContact ND1-CD2 3.43Å; H519-F598 AromaticContact ND1-CE2 3.84Å; H519-F598 AromaticContact ND1-CG 3.57Å; H519-F598 WeakPolarHBondContact NE2-CB 3.39Å; H519-F598 AromaticContact NE2-CG 3.68Å
520	A	85.4	Confident	77.2	Confident	12 Å²	12	49 Å²	49	10%	0.099	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.6	178.8	0	0	0	0	0	111.5	K492 R494 E518	K492-A520 PolarHBondContact N-O 3.42Å; K492-A520 PolarHBondContact O-N 3.03Å; R494-A520 HydrophobicContact CB-CB 4.38Å; R494-A520 HydrophobicContact CG-CB 4.11Å; E518-A520 PolarHBondContact O-N 3.23Å
521	A	89.3	Confident	79.4	Confident	20 Å²	20	42.7 Å²	42.7	17%	0.165	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.1	174.3	0	0	0	0	0	113	T272 V489 Y491 H519	T272-A521 WeakPolarHBondContact O-CB 3.42Å; V489-A521 HydrophobicContact CG1-CB 3.71Å; Y491-A521 HydrophobicContact CD1-CB 3.51Å; Y491-A521 HydrophobicContact CD2-CB 4.49Å; Y491-A521 HydrophobicContact CE1-CB 3.39Å; Y491-A521 HydrophobicContact CE2-CB 4.39Å; Y491-A521 HydrophobicContact CG-CB 4.1Å; H519-A521 PolarHBondContact O-N 3.38Å
522	Q	89.4	Confident	81.4	Confident	62 Å²	62	43.6 Å²	43.6	29%	0.29	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.2	171.4	-51.4	-164.6	-35	0	0	107.7	L490	L490-Q522 PolarHBondContact N-O 2.95Å; L490-Q522 WeakPolarHBondContact O-CB 3.48Å; L490-Q522 PolarHBondContact O-N 3.44Å
523	T	91.5	Very high	83.4	Confident	57 Å²	57	35.8 Å²	35.8	35%	0.35	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.6	179.6	63.4	0	0	0	0	113	T272 Q487 H488 V489	T272-T523 HydrophobicContact CG2-CG2 3.9Å; T272-T523 VanDerWaalsContact OG1-CG2 3.23Å; T272-T523 WeakPolarHBondContact OG1-CG2 3.28Å; Q487-T523 VanDerWaalsContact OE1-CB 3.25Å; Q487-T523 PolarHBondContact OE1-OG1 3.23Å; Q487-T523 VanDerWaalsContact OE1-OG1 3.06Å; H488-T523 CarbonylContact O-C 3.51Å; H488-T523 WeakPolarHBondContact O-CA 3.35Å; V489-T523 HydrophobicContact CB-CG2 4.39Å; V489-T523 HydrophobicContact CG1-CG2 4.16Å; V489-T523 HydrophobicContact CG2-CG2 4.03Å
524	V	93.1	Very high	85.2	Confident	78 Å²	78	31.8 Å²	31.8	47%	0.473	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	105.4	172.7	-178.9	0	0	0	0	107.7	Q487 H488 L526	Q487-V524 WeakPolarHBondContact CA-O 3.35Å; H488-V524 HydrophobicContact CB-CB 4.4Å; H488-V524 PolarHBondContact N-O 3.46Å; H488-V524 PolarHBondContact O-N 3.19Å; V524-L526 HydrophobicContact CG1-CD2 4.45Å; V524-L526 PolarHBondContact O-N 3.24Å
525	Q	91.5	Very high	86.9	Confident	64 Å²	64	35.9 Å²	35.9	30%	0.299	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	114.6	178.2	-167.4	-151.7	-97.8	0	0	110.1	K485	K485-Q525 HydrophobicContact CB-CG 4.13Å; K485-Q525 HydrophobicContact CD-CG 4.34Å
526	L	92.4	Very high	88.4	Confident	32 Å²	32	35 Å²	35	17%	0.168	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-48.5	-179.3	-56.6	-178.4	0	0	0	111	I421 F459 Y465 L486 H488 V524	I421-L526 VanDerWaalsContact CG2-O 3.25Å; I421-L526 WeakPolarHBondContact CG2-O 3.17Å; F459-L526 HydrophobicContact CD1-CB 4.36Å; F459-L526 HydrophobicContact CD1-CD1 4.39Å; F459-L526 HydrophobicContact CE1-CB 3.82Å; F459-L526 HydrophobicContact CZ-CB 4.29Å; Y465-L526 HydrophobicContact CD1-CD1 4.17Å; Y465-L526 HydrophobicContact CD2-CD1 3.88Å; Y465-L526 HydrophobicContact CE1-CD1 3.86Å; Y465-L526 HydrophobicContact CE2-CD1 3.54Å; Y465-L526 HydrophobicContact CG-CD1 4.2Å; L486-L526 HydrophobicContact CD2-CD1 4.38Å; L486-L526 HydrophobicContact CG-CD1 4.3Å; L486-L526 WeakPolarHBondContact O-CB 3.44Å; L486-L526 PolarHBondContact O-N 3.33Å; H488-L526 HydrophobicContact CB-CD1 4.45Å; H488-L526 HydrophobicContact CB-CD2 4.32Å; H488-L526 HydrophobicContact CB-CG 4.47Å; V524-L526 HydrophobicContact CG1-CD2 4.45Å; V524-L526 PolarHBondContact O-N 3.24Å
527	V	94	Very high	89.7	Confident	1 Å²	1	34 Å²	34	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	151.5	178.8	56.3	0	0	0	0	109.9	I417 F459 K485 L486 F529	I417-V527 HydrophobicContact CB-CG2 4.36Å; I417-V527 HydrophobicContact CG2-CG2 3.81Å; F459-V527 HydrophobicContact CD2-CG1 4.23Å; F459-V527 HydrophobicContact CE2-CB 3.91Å; F459-V527 HydrophobicContact CE2-CG1 3.58Å; F459-V527 HydrophobicContact CZ-CB 3.91Å; F459-V527 HydrophobicContact CZ-CG1 3.89Å; K485-V527 WeakPolarHBondContact CA-O 3.41Å; L486-V527 HydrophobicContact CB-CG1 3.84Å; L486-V527 HydrophobicContact CD2-CG1 4.24Å; L486-V527 PolarHBondContact N-O 3.3Å; L486-V527 PolarHBondContact O-N 3.47Å; V527-F529 HydrophobicContact CG1-CD2 4.11Å; V527-F529 HydrophobicContact CG1-CE1 4.49Å; V527-F529 HydrophobicContact CG1-CE2 3.4Å; V527-F529 VanDerWaalsContact CG1-CE2 3.4Å; V527-F529 HydrophobicContact CG1-CZ 3.64Å; V527-F529 HydrophobicContact CG2-CE1 4.39Å; V527-F529 HydrophobicContact CG2-CE2 4.5Å; V527-F529 HydrophobicContact CG2-CZ 4.31Å
528	K	95.2	Very high	90.6	Very high	39 Å²	39	37 Å²	37	17%	0.17	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128	164.2	-62.1	-166.1	178.4	-178	0	108.6	I417 R418 W431 T484 K485	I417-K528 VanDerWaalsContact CA-O 3.31Å; I417-K528 WeakPolarHBondContact CA-O 3.39Å; R418-K528 HydrophobicContact CB-CB 4Å; R418-K528 HydrophobicContact CB-CD 4.12Å; R418-K528 HydrophobicContact CB-CG 4.42Å; R418-K528 PolarHBondContact N-O 3.14Å; W431-K528 HydrophobicContact CH2-CB 4.17Å; W431-K528 HydrophobicContact CH2-CD 4.41Å; W431-K528 HydrophobicContact CZ3-CB 4.25Å; T484-K528 WeakPolarHBondContact O-CA 3.47Å; K485-K528 HydrophobicContact CG-CG 4.21Å
529	F	96.2	Very high	91.2	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	159.2	166.9	-62.5	-76.9	0	0	0	109.6	L415 H416 I417 V436 V444 I446 A483 T484 L486 V527 L537 F540	L415-F529 HydrophobicContact CD1-CB 4.34Å; L415-F529 HydrophobicContact CD1-CD1 4.15Å; L415-F529 HydrophobicContact CD1-CG 4.45Å; H416-F529 CarbonylContact O-C 3.46Å; H416-F529 VanDerWaalsContact O-CA 3.32Å; H416-F529 WeakPolarHBondContact O-CA 3.16Å; I417-F529 HydrophobicContact CG2-CD1 3.79Å; I417-F529 HydrophobicContact CG2-CE1 4.01Å; V436-F529 HydrophobicContact CG1-CE1 4.28Å; V436-F529 HydrophobicContact CG2-CD1 4.25Å; V436-F529 HydrophobicContact CG2-CE1 3.93Å; V444-F529 HydrophobicContact CG1-CZ 4.11Å; I446-F529 HydrophobicContact CD1-CE1 3.73Å; I446-F529 HydrophobicContact CD1-CZ 3.86Å; I446-F529 HydrophobicContact CG1-CE1 4.3Å; A483-F529 CarbonylContact C-O 3.58Å; A483-F529 VanDerWaalsContact CA-O 3.25Å; A483-F529 WeakPolarHBondContact CA-O 3.5Å; A483-F529 WeakPolarHBondContact CB-O 3.36Å; T484-F529 HydrophobicContact CG2-CB 4.07Å; T484-F529 PolarHBondContact N-O 2.97Å; T484-F529 PolarHBondContact O-N 3.48Å; L486-F529 HydrophobicContact CB-CE2 4.15Å; V527-F529 HydrophobicContact CG1-CD2 4.11Å; V527-F529 HydrophobicContact CG1-CE1 4.49Å; V527-F529 HydrophobicContact CG1-CE2 3.4Å; V527-F529 VanDerWaalsContact CG1-CE2 3.4Å; V527-F529 HydrophobicContact CG1-CZ 3.64Å; V527-F529 HydrophobicContact CG2-CE1 4.39Å; V527-F529 HydrophobicContact CG2-CE2 4.5Å; V527-F529 HydrophobicContact CG2-CZ 4.31Å; F529-L537 HydrophobicContact CB-CD1 4.43Å; F529-F540 HydrophobicContact CB-CE1 4.18Å; F529-F540 HydrophobicContact CD1-CZ 4.35Å; F529-F540 AromaticContact CD2-CE1 3.6Å; F529-F540 HydrophobicContact CD2-CE1 3.6Å; F529-F540 AromaticContact CD2-CZ 3.7Å; F529-F540 HydrophobicContact CD2-CZ 3.7Å; F529-F540 HydrophobicContact CE1-CZ 4.31Å; F529-F540 HydrophobicContact CE2-CE1 4.04Å; F529-F540 AromaticContact CE2-CZ 3.64Å; F529-F540 HydrophobicContact CE2-CZ 3.64Å; F529-F540 AromaticContact CG-CE1 3.86Å; F529-F540 HydrophobicContact CG-CE1 3.86Å; F529-F540 HydrophobicContact CG-CZ 4.06Å; F529-F540 AromaticContact CZ-CZ 3.96Å; F529-F540 HydrophobicContact CZ-CZ 3.96Å
530	G	95.5	Very high	91.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	167.1	167.2	0	0	0	0	0	112.6	L415 H416 H482	L415-G530 CarbonylContact C-O 3.51Å; L415-G530 WeakPolarHBondContact CA-O 3.19Å; H416-G530 PolarHBondContact N-O 3.1Å; H416-G530 PolarHBondContact O-N 3.4Å; H482-G530 CarbonylContact O-C 3.6Å; H482-G530 WeakPolarHBondContact O-CA 3.19Å
531	S	94.5	Very high	91.9	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.049	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	160.3	167.1	-168.3	0	0	0	0	110.2	I481 H482 D533 E536	I481-S531 VanDerWaalsContact CG1-C 3.44Å; I481-S531 WeakPolarHBondContact CG1-O 3.13Å; H482-S531 WeakPolarHBondContact CB-O 3.23Å; H482-S531 PolarHBondContact N-O 3.3Å; H482-S531 PolarHBondContact O-N 2.95Å; S531-D533 VanDerWaalsContact C-N 3.27Å; S531-D533 WeakPolarHBondContact CB-O 3.27Å; S531-D533 PolarHBondContact OG-N 2.92Å; S531-E536 VanDerWaalsContact CB-OE2 3.3Å; S531-E536 WeakPolarHBondContact CB-OE2 3.46Å; S531-E536 PolarHBondContact OG-OE2 3.47Å
532	L	90.8	Very high	92	Very high	79 Å²	79	37.6 Å²	37.6	41%	0.414	20%	0.203	S	C	.	.	S	Bend	trans	-77	-20.5	173.2	-61.4	173.2	0	0	0	110.9	Y475 I481	Y475-L532 HydrophobicContact CD1-CD2 4.48Å; Y475-L532 HydrophobicContact CD2-CD2 4.34Å; Y475-L532 HydrophobicContact CG-CD2 4.33Å; I481-L532 HydrophobicContact CB-CD2 4.17Å; I481-L532 HydrophobicContact CD1-CD2 4.4Å; I481-L532 HydrophobicContact CG1-CD2 4.02Å
533	D	88.9	Confident	92.2	Very high	59 Å²	59	35.1 Å²	35.1	32%	0.316	19%	0.193	S	C	.	.	S	Bend	trans	-95.1	136.7	166.5	172.1	36.1	0	0	0	111.3	S531 K535 E536	S531-D533 VanDerWaalsContact C-N 3.27Å; S531-D533 WeakPolarHBondContact CB-O 3.27Å; S531-D533 PolarHBondContact OG-N 2.92Å; D533-K535 VanDerWaalsContact CG-N 3.3Å; D533-K535 WeakPolarHBondContact OD1-CG 3.46Å; D533-K535 PolarHBondContact OD1-N 3.44Å; D533-K535 WeakPolarHBondContact OD2-CB 3.34Å; D533-K535 PolarHBondContact OD2-N 3.29Å; D533-E536 HydrophobicContact CB-CB 4.34Å; D533-E536 WeakPolarHBondContact OD2-CB 3.24Å; D533-E536 PolarHBondContact OD2-N 3.11Å
534	A	87.4	Confident	92.3	Very high	21 Å²	21	32.5 Å²	32.5	17%	0.174	18%	0.177	C	C	.	.	H	α-helix	trans	-74.6	-34.7	173.4	0	0	0	0	0	112.5	L537 N538	A534-L537 PolarHBondContact O-N 3.24Å; A534-N538 VanDerWaalsContact O-CB 3.28Å; A534-N538 WeakPolarHBondContact O-CB 3.35Å; A534-N538 PolarHBondContact O-N 3.05Å; A534-N538 PolarHBondContact O-ND2 3.02Å
535	K	87.7	Confident	92.3	Very high	113 Å²	113	31.2 Å²	31.2	49%	0.491	17%	0.166	S	C	.	.	H	α-helix	trans	-67.6	-49.3	-174.5	-50.4	166	-170.2	167.7	0	110.7	D533 L537 N538 A539 E922	D533-K535 VanDerWaalsContact CG-N 3.3Å; D533-K535 WeakPolarHBondContact OD1-CG 3.46Å; D533-K535 PolarHBondContact OD1-N 3.44Å; D533-K535 WeakPolarHBondContact OD2-CB 3.34Å; D533-K535 PolarHBondContact OD2-N 3.29Å; K535-L537 VanDerWaalsContact C-N 3.34Å; K535-L537 PolarHBondContact O-N 3.48Å; K535-N538 PolarHBondContact O-N 3.38Å; K535-A539 WeakPolarHBondContact O-CB 3.32Å; K535-A539 PolarHBondContact O-N 2.67Å; K535-E922 IonicContact NZ-OE1 2.75Å; K535-E922 PolarHBondContact NZ-OE1 3Å
536	E	89.9	Confident	92.3	Very high	41 Å²	41	29.8 Å²	29.8	19%	0.192	16%	0.16	C	C	.	.	H	α-helix	trans	-55.6	-47.1	175.9	-174	-171.4	-140.4	0	0	111.3	W413 N414 L415 S531 D533 A539 F540	W413-E536 HydrophobicContact CB-CG 4.22Å; W413-E536 HydrophobicContact CG-CG 4.44Å; N414-E536 WeakPolarHBondContact CA-OE1 3.38Å; N414-E536 PolarHBondContact N-OE1 3.37Å; L415-E536 HydrophobicContact CD2-CG 4.04Å; S531-E536 VanDerWaalsContact CB-OE2 3.3Å; S531-E536 WeakPolarHBondContact CB-OE2 3.46Å; S531-E536 PolarHBondContact OG-OE2 3.47Å; D533-E536 HydrophobicContact CB-CB 4.34Å; D533-E536 WeakPolarHBondContact OD2-CB 3.24Å; D533-E536 PolarHBondContact OD2-N 3.11Å; E536-A539 PolarHBondContact O-N 2.83Å; E536-F540 PolarHBondContact O-N 3.27Å
537	L	92.9	Very high	92.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68	-39.3	179.6	-167.5	68.9	0	0	0	112.1	L415 V470 H482 T484 F529 A534 K535 F540 V541	L415-L537 HydrophobicContact CD1-CD1 4.39Å; L415-L537 HydrophobicContact CD2-CD1 4.03Å; V470-L537 HydrophobicContact CG1-CD2 3.86Å; V470-L537 HydrophobicContact CG2-CD2 3.87Å; V470-L537 HydrophobicContact CG2-CG 4.26Å; H482-L537 VanDerWaalsContact C-CD2 3.48Å; H482-L537 HydrophobicContact CB-CD2 3.65Å; H482-L537 WeakPolarHBondContact O-CD2 3.23Å; T484-L537 HydrophobicContact CG2-CD1 4.15Å; F529-L537 HydrophobicContact CB-CD1 4.43Å; A534-L537 PolarHBondContact O-N 3.24Å; K535-L537 VanDerWaalsContact C-N 3.34Å; K535-L537 PolarHBondContact O-N 3.48Å; L537-F540 HydrophobicContact CD1-CD1 4.33Å; L537-F540 WeakPolarHBondContact O-CB 3.32Å; L537-F540 PolarHBondContact O-N 3.34Å; L537-V541 VanDerWaalsContact O-CG2 3.24Å; L537-V541 WeakPolarHBondContact O-CG2 3.47Å; L537-V541 PolarHBondContact O-N 2.86Å
538	N	91.1	Very high	92.3	Very high	70 Å²	70	29.5 Å²	29.5	37%	0.374	16%	0.159	S	C	.	.	H	α-helix	trans	-66.8	-37.4	176	-74.8	-20.9	0	0	0	111.8	A534 K535 V541 A542	A534-N538 VanDerWaalsContact O-CB 3.28Å; A534-N538 WeakPolarHBondContact O-CB 3.35Å; A534-N538 PolarHBondContact O-N 3.05Å; A534-N538 PolarHBondContact O-ND2 3.02Å; K535-N538 PolarHBondContact O-N 3.38Å; N538-V541 PolarHBondContact O-N 2.92Å; N538-A542 WeakPolarHBondContact O-CB 3.3Å; N538-A542 PolarHBondContact O-N 2.81Å
539	A	91.7	Very high	92.2	Very high	34 Å²	34	28 Å²	28	28%	0.281	15%	0.152	S	C	.	.	H	α-helix	trans	-65.3	-38.2	174	0	0	0	0	0	112.4	K535 E536 S543	K535-A539 WeakPolarHBondContact O-CB 3.32Å; K535-A539 PolarHBondContact O-N 2.67Å; E536-A539 PolarHBondContact O-N 2.83Å; A539-S543 WeakPolarHBondContact O-CB 3.37Å; A539-S543 PolarHBondContact O-N 2.93Å; A539-S543 VanDerWaalsContact O-N 3.12Å; A539-S543 PolarHBondContact O-OG 2.66Å
540	F	93.2	Very high	92	Very high	1 Å²	1	32 Å²	32	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-50.3	169.7	169	-104.9	0	0	0	111.5	W413 L415 V436 V444 T484 F529 E536 L537 A542 S543 I544	W413-F540 HydrophobicContact CD2-CB 3.96Å; W413-F540 AromaticContact CD2-CD2 3.99Å; W413-F540 HydrophobicContact CD2-CD2 3.99Å; W413-F540 HydrophobicContact CD2-CG 4.47Å; W413-F540 AromaticContact CE3-CD2 3.71Å; W413-F540 HydrophobicContact CE3-CD2 3.71Å; W413-F540 HydrophobicContact CG-CB 4.08Å; W413-F540 HydrophobicContact CH2-CD2 4.32Å; W413-F540 HydrophobicContact CZ2-CB 4.38Å; W413-F540 AromaticContact CZ3-CD2 3.89Å; W413-F540 HydrophobicContact CZ3-CD2 3.89Å; L415-F540 HydrophobicContact CD1-CB 4.11Å; L415-F540 HydrophobicContact CD1-CD1 3.75Å; L415-F540 HydrophobicContact CD1-CD2 3.86Å; L415-F540 HydrophobicContact CD1-CE1 4.1Å; L415-F540 HydrophobicContact CD1-CE2 4.2Å; L415-F540 HydrophobicContact CD1-CG 3.62Å; L415-F540 HydrophobicContact CD1-CZ 4.31Å; V436-F540 HydrophobicContact CG1-CD2 4.32Å; V436-F540 HydrophobicContact CG1-CE2 3.71Å; V436-F540 HydrophobicContact CG1-CZ 4.43Å; V444-F540 HydrophobicContact CG1-CE2 4.49Å; T484-F540 HydrophobicContact CG2-CE1 4.42Å; F529-F540 HydrophobicContact CB-CE1 4.18Å; F529-F540 HydrophobicContact CD1-CZ 4.35Å; F529-F540 AromaticContact CD2-CE1 3.6Å; F529-F540 HydrophobicContact CD2-CE1 3.6Å; F529-F540 AromaticContact CD2-CZ 3.7Å; F529-F540 HydrophobicContact CD2-CZ 3.7Å; F529-F540 HydrophobicContact CE1-CZ 4.31Å; F529-F540 HydrophobicContact CE2-CE1 4.04Å; F529-F540 AromaticContact CE2-CZ 3.64Å; F529-F540 HydrophobicContact CE2-CZ 3.64Å; F529-F540 AromaticContact CG-CE1 3.86Å; F529-F540 HydrophobicContact CG-CE1 3.86Å; F529-F540 HydrophobicContact CG-CZ 4.06Å; F529-F540 AromaticContact CZ-CZ 3.96Å; F529-F540 HydrophobicContact CZ-CZ 3.96Å; E536-F540 PolarHBondContact O-N 3.27Å; L537-F540 HydrophobicContact CD1-CD1 4.33Å; L537-F540 WeakPolarHBondContact O-CB 3.32Å; L537-F540 PolarHBondContact O-N 3.34Å; F540-A542 PolarHBondContact O-N 2.94Å; F540-S543 PolarHBondContact O-N 2.84Å; F540-I544 HydrophobicContact CD2-CG1 4.02Å; F540-I544 HydrophobicContact CE1-CG1 4.29Å; F540-I544 HydrophobicContact CE2-CD1 3.9Å; F540-I544 HydrophobicContact CE2-CG1 3.59Å; F540-I544 HydrophobicContact CZ-CD1 4.32Å; F540-I544 HydrophobicContact CZ-CG1 3.75Å; F540-I544 WeakPolarHBondContact O-CG1 3.42Å; F540-I544 PolarHBondContact O-N 3.05Å
541	V	93.7	Very high	91.9	Very high	17 Å²	17	32.8 Å²	32.8	10%	0.103	17%	0.174	C	C	.	.	H	α-helix	trans	-56.2	-50.7	178.7	170.5	0	0	0	0	111	L467 V470 T484 L537 N538 S543 I544 E545	L467-V541 HydrophobicContact CD1-CB 4.12Å; L467-V541 HydrophobicContact CD1-CG1 4.05Å; L467-V541 HydrophobicContact CD1-CG2 4.05Å; V470-V541 HydrophobicContact CG2-CG2 4.12Å; T484-V541 HydrophobicContact CG2-CG2 4.05Å; L537-V541 VanDerWaalsContact O-CG2 3.24Å; L537-V541 WeakPolarHBondContact O-CG2 3.47Å; L537-V541 PolarHBondContact O-N 2.86Å; N538-V541 PolarHBondContact O-N 2.92Å; V541-S543 VanDerWaalsContact C-N 3.31Å; V541-S543 PolarHBondContact O-N 3.44Å; V541-I544 PolarHBondContact O-N 2.88Å; V541-E545 HydrophobicContact CG1-CG 4.48Å; V541-E545 WeakPolarHBondContact O-CG 3.41Å; V541-E545 PolarHBondContact O-N 3.31Å
542	A	91.5	Very high	91.7	Very high	14 Å²	14	39.2 Å²	39.2	12%	0.116	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-39	179.3	0	0	0	0	0	112.8	Y405 N538 F540 E545 D546	Y405-A542 HydrophobicContact CD2-CB 3.73Å; Y405-A542 HydrophobicContact CE2-CB 3.79Å; Y405-A542 HydrophobicContact CG-CB 4.11Å; N538-A542 WeakPolarHBondContact O-CB 3.3Å; N538-A542 PolarHBondContact O-N 2.81Å; F540-A542 PolarHBondContact O-N 2.94Å; A542-E545 PolarHBondContact O-N 3.25Å; A542-D546 WeakPolarHBondContact O-CB 3.39Å; A542-D546 PolarHBondContact O-N 2.95Å
543	S	92.7	Very high	91.6	Very high	10 Å²	10	36.3 Å²	36.3	7%	0.07	19%	0.19	C	C	.	.	H	α-helix	trans	-72.2	-31.9	179.3	-59.5	0	0	0	0	113.1	T408 W413 A539 F540 V541 A547	T408-S543 PolarHBondContact OG1-OG 3.13Å; W413-S543 WeakPolarHBondContact CZ2-OG 3.47Å; A539-S543 WeakPolarHBondContact O-CB 3.37Å; A539-S543 PolarHBondContact O-N 2.93Å; A539-S543 VanDerWaalsContact O-N 3.12Å; A539-S543 PolarHBondContact O-OG 2.66Å; F540-S543 PolarHBondContact O-N 2.84Å; V541-S543 VanDerWaalsContact C-N 3.31Å; V541-S543 PolarHBondContact O-N 3.44Å; S543-A547 WeakPolarHBondContact O-CB 3.43Å; S543-A547 PolarHBondContact O-N 3.38Å; S543-A547 VanDerWaalsContact O-N 3.15Å
544	I	93.5	Very high	91.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-75.6	-38	173.4	-63.6	-58.2	0	0	0	111.5	L438 V444 L461 L467 F540 V541 A547 L548	L438-I544 HydrophobicContact CD1-CD1 4Å; L438-I544 HydrophobicContact CD2-CD1 4.38Å; V444-I544 HydrophobicContact CG2-CD1 3.54Å; L461-I544 HydrophobicContact CD2-CG2 4.36Å; L467-I544 HydrophobicContact CD1-CB 3.71Å; L467-I544 HydrophobicContact CD1-CG1 4.34Å; L467-I544 HydrophobicContact CD1-CG2 3.69Å; L467-I544 HydrophobicContact CG-CG2 4.08Å; F540-I544 HydrophobicContact CD2-CG1 4.02Å; F540-I544 HydrophobicContact CE1-CG1 4.29Å; F540-I544 HydrophobicContact CE2-CD1 3.9Å; F540-I544 HydrophobicContact CE2-CG1 3.59Å; F540-I544 HydrophobicContact CZ-CD1 4.32Å; F540-I544 HydrophobicContact CZ-CG1 3.75Å; F540-I544 WeakPolarHBondContact O-CG1 3.42Å; F540-I544 PolarHBondContact O-N 3.05Å; V541-I544 PolarHBondContact O-N 2.88Å; I544-A547 PolarHBondContact O-N 3.28Å; I544-L548 HydrophobicContact CG2-CD1 4.13Å; I544-L548 WeakPolarHBondContact O-CG 3.37Å; I544-L548 PolarHBondContact O-N 2.88Å
545	E	93.1	Very high	91.3	Very high	52 Å²	52	41.6 Å²	41.6	24%	0.243	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-41.1	173.1	-72.5	-174.7	-168.5	0	0	111.7	V541 A542 A547 L548 F549 R592	V541-E545 HydrophobicContact CG1-CG 4.48Å; V541-E545 WeakPolarHBondContact O-CG 3.41Å; V541-E545 PolarHBondContact O-N 3.31Å; A542-E545 PolarHBondContact O-N 3.25Å; E545-A547 VanDerWaalsContact C-N 3.32Å; E545-A547 PolarHBondContact O-N 2.94Å; E545-L548 PolarHBondContact O-N 3.24Å; E545-F549 PolarHBondContact O-N 3.05Å; E545-R592 IonicContact OE2-CZ 2.76Å; E545-R592 IonicContact OE2-NH1 3.24Å; E545-R592 PolarHBondContact OE2-NH1 3.11Å; E545-R592 IonicContact OE2-NH2 3.5Å; E545-R592 PolarHBondContact OE2-NH2 2.84Å
546	D	92.3	Very high	91.1	Very high	33 Å²	33	44.5 Å²	44.5	18%	0.176	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-38.1	173.5	-169.7	59.4	0	0	0	112.8	A542 F549 K550 R670	A542-D546 WeakPolarHBondContact O-CB 3.39Å; A542-D546 PolarHBondContact O-N 2.95Å; D546-F549 PolarHBondContact O-N 3.34Å; D546-K550 WeakPolarHBondContact O-CB 3.37Å; D546-K550 WeakPolarHBondContact O-CG 3.28Å; D546-K550 PolarHBondContact O-N 3.07Å; D546-K550 VanDerWaalsContact OD1-CE 3.31Å; D546-K550 WeakPolarHBondContact OD1-CE 3.3Å; D546-K550 IonicContact OD1-NZ 2.66Å; D546-K550 PolarHBondContact OD1-NZ 3.26Å; D546-K550 WeakPolarHBondContact OD2-CD 3.44Å; D546-K550 IonicContact OD2-NZ 2.67Å; D546-K550 PolarHBondContact OD2-NZ 2.81Å; D546-R670 IonicContact OD1-CZ 2.64Å; D546-R670 VanDerWaalsContact OD1-CZ 3.29Å; D546-R670 IonicContact OD1-NH1 3.8Å; D546-R670 PolarHBondContact OD1-NH1 2.78Å; D546-R670 IonicContact OD1-NH2 3.78Å; D546-R670 PolarHBondContact OD1-NH2 2.69Å
547	A	93	Very high	90.9	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-67.3	-37.5	175.7	0	0	0	0	0	113	L438 R441 L461 S543 I544 E545 K550 L551	L438-A547 HydrophobicContact CD1-CB 4.38Å; L438-A547 HydrophobicContact CD2-CB 4.02Å; R441-A547 WeakPolarHBondContact O-CB 3.33Å; L461-A547 HydrophobicContact CD1-CB 3.72Å; S543-A547 WeakPolarHBondContact O-CB 3.43Å; S543-A547 PolarHBondContact O-N 3.38Å; S543-A547 VanDerWaalsContact O-N 3.15Å; I544-A547 PolarHBondContact O-N 3.28Å; E545-A547 VanDerWaalsContact C-N 3.32Å; E545-A547 PolarHBondContact O-N 2.94Å; A547-K550 PolarHBondContact O-N 2.91Å; A547-L551 PolarHBondContact O-N 3Å
548	L	93.4	Very high	90.5	Very high	26 Å²	26	53.7 Å²	53.7	14%	0.136	27%	0.272	C	S	.	.	H	α-helix	trans	-68.8	-40.5	174.6	-72.7	166.4	0	0	0	111.6	L461 Q462 I544 E545 K550 L551	L461-L548 HydrophobicContact CB-CD2 4.15Å; L461-L548 HydrophobicContact CD2-CD2 4.38Å; Q462-L548 WeakPolarHBondContact O-CD2 3.45Å; I544-L548 HydrophobicContact CG2-CD1 4.13Å; I544-L548 WeakPolarHBondContact O-CG 3.37Å; I544-L548 PolarHBondContact O-N 2.88Å; E545-L548 PolarHBondContact O-N 3.24Å; L548-K550 VanDerWaalsContact C-N 3.32Å; L548-K550 PolarHBondContact O-N 3.18Å; L548-L551 VanDerWaalsContact O-CB 3.27Å; L548-L551 WeakPolarHBondContact O-CB 3.33Å; L548-L551 PolarHBondContact O-N 2.8Å
549	F	93.7	Very high	90.2	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-32.2	174.2	174.6	-103.8	0	0	0	113.2	E545 D546 L551 E640 H642 E667 R670	E545-F549 PolarHBondContact O-N 3.05Å; D546-F549 PolarHBondContact O-N 3.34Å; F549-L551 VanDerWaalsContact C-N 3.29Å; F549-L551 PolarHBondContact O-N 2.67Å; F549-E640 HydrophobicContact CE1-CB 3.84Å; F549-E640 HydrophobicContact CZ-CB 3.89Å; F549-H642 HydrophobicContact CD2-CB 4.37Å; F549-H642 HydrophobicContact CE2-CB 4.05Å; F549-H642 PolarHBondContact O-CD2 2.9Å; F549-E667 HydrophobicContact CD2-CB 3.82Å; F549-E667 HydrophobicContact CD2-CG 3.59Å; F549-E667 WeakPolarHBondContact CD2-O 3.46Å; F549-E667 HydrophobicContact CE2-CG 4.05Å; F549-E667 HydrophobicContact CG-CG 4.45Å; F549-R670 HydrophobicContact CE1-CG 4.19Å; F549-R670 VanDerWaalsContact CE1-CZ 3.48Å; F549-R670 HydrophobicContact CE2-CG 4.31Å; F549-R670 HydrophobicContact CZ-CG 3.87Å
550	K	92.4	Very high	90	Very high	86 Å²	86	53.5 Å²	53.5	37%	0.374	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	14.4	177.8	-72.2	164.3	-177.7	160.2	0	113.3	D546 A547 L548 E640	D546-K550 WeakPolarHBondContact O-CB 3.37Å; D546-K550 WeakPolarHBondContact O-CG 3.28Å; D546-K550 PolarHBondContact O-N 3.07Å; D546-K550 VanDerWaalsContact OD1-CE 3.31Å; D546-K550 WeakPolarHBondContact OD1-CE 3.3Å; D546-K550 IonicContact OD1-NZ 2.66Å; D546-K550 PolarHBondContact OD1-NZ 3.26Å; D546-K550 WeakPolarHBondContact OD2-CD 3.44Å; D546-K550 IonicContact OD2-NZ 2.67Å; D546-K550 PolarHBondContact OD2-NZ 2.81Å; A547-K550 PolarHBondContact O-N 2.91Å; L548-K550 VanDerWaalsContact C-N 3.32Å; L548-K550 PolarHBondContact O-N 3.18Å; K550-E640 WeakPolarHBondContact CE-OE2 3.21Å; K550-E640 IonicContact NZ-OE2 2.93Å
551	L	92.7	Very high	89.9	Confident	16 Å²	16	55.4 Å²	55.4	8%	0.084	29%	0.288	C	S	.	.			trans	-81.5	131.3	178.8	-166.9	56.2	0	0	0	110.9	K442 P463 A547 L548 F549 A553 H642 S643	K442-L551 HydrophobicContact CD-CD1 4.36Å; K442-L551 HydrophobicContact CG-CD1 4.21Å; P463-L551 HydrophobicContact CG-CD2 3.96Å; A547-L551 PolarHBondContact O-N 3Å; L548-L551 VanDerWaalsContact O-CB 3.27Å; L548-L551 WeakPolarHBondContact O-CB 3.33Å; L548-L551 PolarHBondContact O-N 2.8Å; F549-L551 VanDerWaalsContact C-N 3.29Å; F549-L551 PolarHBondContact O-N 2.67Å; L551-A553 PolarHBondContact O-N 3.44Å; L551-H642 PolarHBondContact O-NE2 2.98Å; L551-S643 PolarHBondContact O-OG 2.82Å
552	E	90.7	Very high	89.5	Confident	142 Å²	142	61.1 Å²	61.1	66%	0.664	31%	0.311	S	S	*	.			trans	-81.5	110.9	177.4	-68.1	161.8	120.7	0	0	109.5	K442 S643	K442-E552 IonicContact NZ-OE2 2.69Å; K442-E552 PolarHBondContact NZ-OE2 2.97Å; E552-S643 WeakPolarHBondContact CA-OG 3.36Å
553	A	87.5	Confident	89.3	Confident	18 Å²	18	62 Å²	62	15%	0.149	31%	0.313	C	S	.	.			trans	-149.4	139.2	-178	0	0	0	0	0	111.2	P463 L551 S643 T644 L661	P463-A553 HydrophobicContact CB-CB 4.48Å; P463-A553 HydrophobicContact CG-CB 3.48Å; P463-A553 VanDerWaalsContact CG-CB 3.48Å; L551-A553 PolarHBondContact O-N 3.44Å; A553-S643 PolarHBondContact N-OG 3.4Å; A553-S643 VanDerWaalsContact N-OG 3.14Å; A553-T644 WeakPolarHBondContact O-CG2 3.22Å; A553-L661 HydrophobicContact CB-CD1 3.68Å; A553-L661 HydrophobicContact CB-CD2 4.48Å
554	K	85.7	Confident	89.2	Confident	161 Å²	161	62.9 Å²	62.9	70%	0.7	32%	0.317	S	S	*	.			trans	-139.9	153.4	179.1	-64.7	-174.1	178.5	-178.2	0	110	E556 S643	K554-E556 PolarHBondContact O-N 2.95Å; K554-S643 WeakPolarHBondContact CE-O 3.25Å
555	R	85.4	Confident	89.2	Confident	31 Å²	31	62.8 Å²	62.8	12%	0.117	32%	0.317	C	S	.	.			trans	-80.2	108.3	178.2	-173.4	-179.9	-168	-176.6	8	110	Q557 G559 V599 G601 P660 L661 D662	R555-Q557 WeakPolarHBondContact CG-O 3.25Å; R555-Q557 PolarHBondContact NE-O 2.69Å; R555-G559 VanDerWaalsContact NH2-CA 3.28Å; R555-V599 PolarHBondContact NH1-O 3.32Å; R555-V599 VanDerWaalsContact NH1-O 3.11Å; R555-V599 PolarHBondContact NH2-O 3.41Å; R555-G601 PolarHBondContact NH1-O 2.85Å; R555-G601 VanDerWaalsContact NH1-O 3.14Å; R555-G601 PolarHBondContact NH2-O 3.36Å; R555-P660 WeakPolarHBondContact CD-O 3.23Å; R555-L661 HydrophobicContact CB-CD2 4.44Å; R555-D662 HydrophobicContact CG-CB 4.42Å; R555-D662 IonicContact CZ-OD1 2.69Å; R555-D662 IonicContact NE-OD1 2.78Å; R555-D662 IonicContact NH2-OD1 2.86Å; R555-D662 PolarHBondContact NH2-OD1 2.99Å
556	E	83	Confident	89.2	Confident	174 Å²	174	60.4 Å²	60.4	81%	0.813	31%	0.305	S	S	*	.			trans	-86.7	-23.7	-178	-62.6	-173.7	160.4	0	0	114.2	K554 M602	K554-E556 PolarHBondContact O-N 2.95Å; E556-M602 VanDerWaalsContact O-CE 3.25Å; E556-M602 WeakPolarHBondContact O-CE 3.4Å
557	Q	85.3	Confident	89.4	Confident	146 Å²	146	60 Å²	60	68%	0.682	30%	0.303	S	S	*	.	S	Bend	trans	-127.9	145	-174.7	-62.5	-176.3	17.8	0	0	111.3	R555 M602	R555-Q557 WeakPolarHBondContact CG-O 3.25Å; R555-Q557 PolarHBondContact NE-O 2.69Å; Q557-M602 VanDerWaalsContact C-CE 3.42Å
558	P	85.8	Confident	89.6	Confident	88 Å²	88	60 Å²	60	57%	0.571	30%	0.302	S	S	*	.			trans	-69.8	133.5	172.8	29.9	-32.6	0	0	0	109.8	G601 M602	P558-G601 VanDerWaalsContact CA-O 3.29Å; P558-G601 WeakPolarHBondContact CA-O 3.26Å; P558-M602 HydrophobicContact CB-CG 4.21Å
559	G	83.3	Confident	89.7	Confident	10 Å²	10	59.9 Å²	59.9	10%	0.103	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-80.2	167	169.7	0	0	0	0	0	111.2	R555 T600 G601	R555-G559 VanDerWaalsContact NH2-CA 3.28Å; G559-T600 CarbonylContact O-C 3.59Å; G559-T600 WeakPolarHBondContact O-CA 3.4Å; G559-G601 PolarHBondContact N-O 2.98Å; G559-G601 PolarHBondContact O-N 2.95Å
560	A	88.9	Confident	89.8	Confident	89 Å²	89	59.7 Å²	59.7	74%	0.736	30%	0.3	S	S	*	.			trans	-142.2	117.2	171.6	0	0	0	0	0	109
561	Y	89.4	Confident	90	Very high	42 Å²	42	56.4 Å²	56.4	17%	0.165	29%	0.286	C	S	.	.			trans	-121.7	157.8	-178.7	-60.7	-85.9	0	0	0	109.6	H519 F598 T600 D662	H519-Y561 AromaticContact NE2-CD1 3.77Å; Y561-F598 HydrophobicContact CD1-CB 3.81Å; Y561-F598 HydrophobicContact CD1-CD1 4.41Å; Y561-F598 VanDerWaalsContact CD2-C 3.47Å; Y561-F598 HydrophobicContact CD2-CB 4.26Å; Y561-F598 HydrophobicContact CE1-CB 3.85Å; Y561-F598 AromaticContact CE1-CD1 3.76Å; Y561-F598 HydrophobicContact CE1-CD1 3.76Å; Y561-F598 HydrophobicContact CE1-CG 4.29Å; Y561-F598 HydrophobicContact CE2-CB 4.31Å; Y561-F598 HydrophobicContact CG-CB 4.03Å; Y561-T600 PolarHBondContact N-OG1 3.41Å; Y561-D662 WeakPolarHBondContact CE2-OD1 3.49Å; Y561-D662 PolarHBondContact OH-OD1 3.4Å; Y561-D662 PolarHBondContact OH-OD2 2.74Å
562	K	86.5	Confident	90.1	Very high	136 Å²	136	55.7 Å²	55.7	59%	0.591	28%	0.282	S	S	*	.	S	Bend	trans	-91.4	-14	175.6	-60.7	-169.8	-164	95	0	113.2	E493 L517	E493-K562 WeakPolarHBondContact OE1-CB 3.35Å; E493-K562 PolarHBondContact OE1-N 2.77Å; E493-K562 IonicContact OE2-NZ 2.6Å; E493-K562 PolarHBondContact OE2-NZ 2.72Å; L517-K562 HydrophobicContact CD1-CB 3.48Å; L517-K562 VanDerWaalsContact CD1-CB 3.48Å; L517-K562 HydrophobicContact CD1-CD 3.94Å; L517-K562 HydrophobicContact CD1-CG 4.3Å
563	Q	86.2	Confident	90.3	Very high	33 Å²	33	49.4 Å²	49.4	15%	0.154	25%	0.252	C	S	.	.	S	Bend	trans	-148.1	108.6	177.7	177.3	176.3	-32.5	0	0	105.7	L517 H519 E861	L517-Q563 HydrophobicContact CB-CB 4.43Å; L517-Q563 VanDerWaalsContact N-OE1 3.07Å; L517-Q563 PolarHBondContact O-NE2 3.06Å; L517-Q563 PolarHBondContact O-OE1 3.37Å; L517-Q563 VanDerWaalsContact O-OE1 3.05Å; H519-Q563 PolarHBondContact CE1-O 2.83Å; Q563-E861 PolarHBondContact NE2-OE2 3.47Å
564	D	92.3	Very high	90.6	Very high	28 Å²	28	48.7 Å²	48.7	15%	0.15	25%	0.246	C	C	.	.			trans	-79.4	134.2	-178.7	-62.3	-69.2	0	0	0	110.5	F598 V599 T600 H854 V860 E861	D564-F598 CarbonylContact C-O 3.57Å; D564-F598 WeakPolarHBondContact CA-O 3.48Å; D564-V599 WeakPolarHBondContact OD1-CA 3.24Å; D564-T600 VanDerWaalsContact OD1-CB 3.31Å; D564-T600 WeakPolarHBondContact OD1-CB 3.37Å; D564-T600 PolarHBondContact OD1-N 2.91Å; D564-T600 PolarHBondContact OD1-OG1 3.33Å; D564-H854 IonicContact OD1-NE2 3.92Å; D564-H854 IonicContact OD2-CE1 2.9Å; D564-H854 PolarHBondContact OD2-CE1 3.46Å; D564-H854 VanDerWaalsContact OD2-CE1 3.3Å; D564-H854 IonicContact OD2-NE2 2.73Å; D564-V860 HydrophobicContact CB-CB 4.33Å; D564-V860 HydrophobicContact CB-CG1 4.11Å; D564-V860 HydrophobicContact CB-CG2 3.95Å; D564-E861 PolarHBondContact O-N 2.79Å
565	E	92.1	Very high	91	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	133	-172.8	-178.9	-178.9	-167.1	0	0	111.6	R498 H519 Q567 F598 E861 W863	R498-E565 IonicContact CZ-OE1 3.69Å; R498-E565 VanDerWaalsContact CZ-OE1 3.24Å; R498-E565 IonicContact CZ-OE2 3.74Å; R498-E565 IonicContact NH1-OE1 3.71Å; R498-E565 PolarHBondContact NH1-OE1 2.89Å; R498-E565 IonicContact NH1-OE2 3.63Å; R498-E565 IonicContact NH2-OE1 3.9Å; R498-E565 PolarHBondContact NH2-OE1 2.85Å; R498-E565 IonicContact NH2-OE2 3.3Å; R498-E565 PolarHBondContact NH2-OE2 2.83Å; R498-E565 VanDerWaalsContact NH2-OE2 3.11Å; H519-E565 IonicContact CE1-OE2 3.18Å; H519-E565 IonicContact CG-OE2 3.69Å; H519-E565 IonicContact ND1-OE2 3.29Å; H519-E565 PolarHBondContact ND1-OE2 2.84Å; E565-Q567 HydrophobicContact CG-CG 4.25Å; E565-Q567 PolarHBondContact OE1-NE2 2.86Å; E565-F598 HydrophobicContact CB-CB 4.5Å; E565-F598 HydrophobicContact CB-CD2 4.16Å; E565-F598 HydrophobicContact CG-CD2 4.49Å; E565-F598 PolarHBondContact N-O 3.49Å; E565-F598 PolarHBondContact O-N 2.87Å; E565-E861 CarbonylContact C-O 3.53Å; E565-E861 WeakPolarHBondContact CA-O 3.3Å; E565-E861 HydrophobicContact CB-CB 4.45Å; E565-E861 HydrophobicContact CG-CB 4.37Å; E565-W863 PolarHBondContact OE1-NE1 2.89Å
566	I	94.6	Very high	91.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.3	171.2	-60.3	170.2	0	0	0	109.3	V568 A597 V599 V605 V849 V851 V860 E861 K862 W863	I566-V568 HydrophobicContact CG2-CG2 4.15Å; I566-A597 HydrophobicContact CG1-CB 4.33Å; I566-V599 HydrophobicContact CD1-CG1 3.97Å; I566-V599 HydrophobicContact CG1-CG1 3.54Å; I566-V605 HydrophobicContact CD1-CG1 4.16Å; I566-V605 HydrophobicContact CD1-CG2 3.67Å; I566-V605 HydrophobicContact CG2-CG1 4.42Å; I566-V849 HydrophobicContact CG2-CG1 4.07Å; I566-V851 HydrophobicContact CD1-CG2 3.45Å; I566-V851 VanDerWaalsContact CD1-CG2 3.45Å; I566-V860 HydrophobicContact CD1-CG1 4.01Å; I566-V860 HydrophobicContact CG1-CG1 4.03Å; I566-E861 PolarHBondContact N-O 2.97Å; I566-K862 WeakPolarHBondContact O-CA 3.14Å; I566-W863 PolarHBondContact O-N 2.98Å
567	Q	95.1	Very high	92	Very high	26 Å²	26	35.4 Å²	35.4	12%	0.121	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.4	173.7	-53.1	-172.7	-7.7	0	0	109.8	E565 L596 W863	E565-Q567 HydrophobicContact CG-CG 4.25Å; E565-Q567 PolarHBondContact OE1-NE2 2.86Å; Q567-L596 HydrophobicContact CB-CB 4.38Å; Q567-L596 PolarHBondContact N-O 2.97Å; Q567-L596 PolarHBondContact O-N 2.92Å; Q567-W863 WeakPolarHBondContact CA-O 3.44Å; Q567-W863 HydrophobicContact CG-CB 4.22Å
568	V	96.7	Very high	92.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122	174.8	-171.5	0	0	0	0	109.3	I566 I593 F594 I607 I846 V849 W863 V864 R865	I566-V568 HydrophobicContact CG2-CG2 4.15Å; V568-I593 HydrophobicContact CG1-CG2 3.76Å; V568-F594 WeakPolarHBondContact CA-O 3.21Å; V568-I607 HydrophobicContact CG1-CD1 3.98Å; V568-I607 HydrophobicContact CG1-CG2 4.24Å; V568-I607 HydrophobicContact CG2-CD1 3.86Å; V568-I607 HydrophobicContact CG2-CG1 4.25Å; V568-I846 HydrophobicContact CB-CD1 4.18Å; V568-I846 HydrophobicContact CG1-CD1 3.54Å; V568-I846 HydrophobicContact CG1-CG1 4.34Å; V568-V849 HydrophobicContact CG2-CG1 4.42Å; V568-V849 HydrophobicContact CG2-CG2 3.94Å; V568-W863 PolarHBondContact N-O 3.02Å; V568-V864 WeakPolarHBondContact O-CA 3.11Å; V568-R865 PolarHBondContact O-N 2.63Å
569	H	96	Very high	92.8	Very high	25 Å²	25	25 Å²	25	12%	0.116	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.9	179.4	-72	-154.7	0	0	0	110.5	Y571 I593 F594 F665 R865	H569-Y571 HydrophobicContact CB-CD2 4.36Å; H569-Y571 HydrophobicContact CB-CE2 3.67Å; H569-Y571 AromaticContact ND1-CZ 3.96Å; H569-Y571 PolarHBondContact ND1-OH 3.01Å; H569-I593 CarbonylContact O-C 3.47Å; H569-I593 WeakPolarHBondContact O-CA 3.29Å; H569-F594 HydrophobicContact CB-CB 4.29Å; H569-F594 PolarHBondContact N-O 2.92Å; H569-F594 PolarHBondContact O-N 3.5Å; H569-F665 HydrophobicContact CB-CE2 4.14Å; H569-F665 HydrophobicContact CB-CZ 4.25Å; H569-F665 AromaticContact CE1-CE2 3.95Å; H569-F665 AromaticContact CG-CE2 3.76Å; H569-F665 AromaticContact ND1-CE2 3.64Å; H569-F665 AromaticContact ND1-CZ 3.82Å; H569-R865 CarbonylContact C-O 3.55Å; H569-R865 WeakPolarHBondContact CA-O 3.4Å
570	C	96.6	Very high	93.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	112.7	173.9	178	0	0	0	0	110	I593 I846 R865 Y866 L867	C570-I593 HydrophobicContact CB-CD1 3.82Å; C570-I846 HydrophobicContact CB-CD1 3.92Å; C570-R865 PolarHBondContact N-O 3.49Å; C570-Y866 HydrophobicContact CB-CD1 3.67Å; C570-Y866 HydrophobicContact CB-CE1 3.9Å; C570-Y866 WeakPolarHBondContact O-CA 3.42Å; C570-L867 PolarHBondContact O-N 3.5Å
571	Y	95.2	Very high	93	Very high	18 Å²	18	30.1 Å²	30.1	7%	0.071	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.6	172.1	-59	-91.1	0	0	0	110.2	W271 H569 V591 R592 F594 F665 L867	W271-Y571 HydrophobicContact CH2-CE1 4.19Å; W271-Y571 AromaticContact CZ3-CE1 3.8Å; W271-Y571 HydrophobicContact CZ3-CE1 3.8Å; H569-Y571 HydrophobicContact CB-CD2 4.36Å; H569-Y571 HydrophobicContact CB-CE2 3.67Å; H569-Y571 AromaticContact ND1-CZ 3.96Å; H569-Y571 PolarHBondContact ND1-OH 3.01Å; Y571-V591 CarbonylContact O-C 3.49Å; Y571-V591 VanDerWaalsContact O-CA 3.3Å; Y571-V591 WeakPolarHBondContact O-CA 3.46Å; Y571-R592 PolarHBondContact N-O 3.38Å; Y571-R592 PolarHBondContact O-N 3.23Å; Y571-F594 AromaticContact CD2-CD2 3.44Å; Y571-F594 HydrophobicContact CD2-CD2 3.44Å; Y571-F594 VanDerWaalsContact CD2-CD2 3.44Å; Y571-F594 AromaticContact CD2-CE2 3.5Å; Y571-F594 HydrophobicContact CD2-CE2 3.5Å; Y571-F594 HydrophobicContact CD2-CG 4.45Å; Y571-F594 AromaticContact CE2-CD2 3.48Å; Y571-F594 HydrophobicContact CE2-CD2 3.48Å; Y571-F594 VanDerWaalsContact CE2-CD2 3.48Å; Y571-F594 AromaticContact CE2-CE2 3.74Å; Y571-F594 HydrophobicContact CE2-CE2 3.74Å; Y571-F594 HydrophobicContact CE2-CG 4.09Å; Y571-F665 HydrophobicContact CE2-CZ 4.09Å; Y571-L867 WeakPolarHBondContact CA-O 3.3Å; Y571-L867 HydrophobicContact CD1-CB 3.96Å; Y571-L867 HydrophobicContact CD1-CD2 3.85Å; Y571-L867 HydrophobicContact CE1-CB 4.28Å; Y571-L867 HydrophobicContact CE1-CD2 4.07Å
572	D	95	Very high	92.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	93.3	-176.2	176.6	68.8	0	0	0	108.4	A839 T840 V841 S842 L867 S868 K869	D572-A839 HydrophobicContact CB-CB 3.83Å; D572-T840 PolarHBondContact OD2-N 2.99Å; D572-V841 WeakPolarHBondContact OD2-CB 3.4Å; D572-V841 PolarHBondContact OD2-N 3.21Å; D572-S842 WeakPolarHBondContact OD1-CB 3.42Å; D572-S842 PolarHBondContact OD1-N 3.34Å; D572-S842 PolarHBondContact OD1-OG 2.85Å; D572-L867 PolarHBondContact N-O 3.04Å; D572-S868 WeakPolarHBondContact CB-OG 3.41Å; D572-S868 CarbonylContact O-C 3.55Å; D572-S868 WeakPolarHBondContact O-CA 3.39Å; D572-S868 PolarHBondContact OD2-OG 2.68Å; D572-K869 PolarHBondContact O-N 3.18Å
573	E	95.1	Very high	92.9	Very high	11 Å²	11	28 Å²	28	5%	0.051	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.1	-170.9	-57.1	177.7	154.5	0	0	110.4	F404 A589 R590 R592 K869	F404-E573 HydrophobicContact CE1-CB 4.15Å; F404-E573 HydrophobicContact CZ-CB 3.67Å; E573-A589 CarbonylContact O-C 3.44Å; E573-A589 WeakPolarHBondContact O-CA 3.4Å; E573-R590 PolarHBondContact N-O 2.8Å; E573-R590 PolarHBondContact O-N 3.43Å; E573-R590 IonicContact OE1-NH2 2.78Å; E573-R590 IonicContact OE2-CZ 2.97Å; E573-R590 VanDerWaalsContact OE2-CZ 3.26Å; E573-R590 IonicContact OE2-NE 3.61Å; E573-R590 PolarHBondContact OE2-NE 2.89Å; E573-R590 IonicContact OE2-NH2 2.75Å; E573-R590 PolarHBondContact OE2-NH2 3.31Å; E573-R592 VanDerWaalsContact CD-CD 3.42Å; E573-R592 WeakPolarHBondContact OE1-CD 3.42Å; E573-R592 IonicContact OE1-CZ 2.77Å; E573-R592 IonicContact OE1-NH1 3.19Å; E573-R592 PolarHBondContact OE1-NH1 3.44Å; E573-R592 VanDerWaalsContact OE2-CD 3.24Å; E573-R592 WeakPolarHBondContact OE2-CD 3.49Å; E573-R592 IonicContact OE2-NH1 3.33Å; E573-K869 HydrophobicContact CG-CD 4.45Å; E573-K869 IonicContact OE1-NZ 2.7Å
574	Y	94.9	Very high	93.1	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.5	-178	-177.6	-108.3	0	0	0	112.2	A576 H587 R588 A589 P675 L681 V841 K869 Y870 S871 Y872	Y574-A576 HydrophobicContact CD1-CB 4.41Å; Y574-A576 HydrophobicContact CE1-CB 3.62Å; Y574-H587 HydrophobicContact CE2-CB 3.63Å; Y574-H587 AromaticContact CE2-CG 3.96Å; Y574-H587 AromaticContact CE2-ND1 3.96Å; Y574-H587 AromaticContact CZ-ND1 3.89Å; Y574-H587 WeakPolarHBondContact OH-CB 2.87Å; Y574-H587 PolarHBondContact OH-ND1 3.15Å; Y574-R588 WeakPolarHBondContact CA-O 3.49Å; Y574-A589 HydrophobicContact CD2-CB 4.14Å; Y574-P675 HydrophobicContact CE2-CG 4.13Å; Y574-L681 HydrophobicContact CE1-CD2 4Å; Y574-V841 HydrophobicContact CD1-CG2 4.33Å; Y574-V841 HydrophobicContact CD2-CB 4.35Å; Y574-V841 HydrophobicContact CD2-CG1 3.67Å; Y574-V841 HydrophobicContact CD2-CG2 3.97Å; Y574-V841 HydrophobicContact CE2-CG1 3.99Å; Y574-V841 HydrophobicContact CG-CG1 4.35Å; Y574-V841 HydrophobicContact CG-CG2 3.8Å; Y574-K869 PolarHBondContact N-O 3.39Å; Y574-Y870 AromaticContact CD1-CD1 3.52Å; Y574-Y870 HydrophobicContact CD1-CD1 3.52Å; Y574-Y870 AromaticContact CD1-CE1 3.61Å; Y574-Y870 HydrophobicContact CD1-CE1 3.61Å; Y574-Y870 HydrophobicContact CE1-CD1 4.27Å; Y574-Y870 HydrophobicContact CE1-CE1 4.16Å; Y574-Y870 HydrophobicContact CG-CD1 4.33Å; Y574-Y870 HydrophobicContact CG-CE1 4.28Å; Y574-S871 PolarHBondContact O-N 3.15Å; Y574-Y872 AromaticContact CD1-CE1 3.93Å; Y574-Y872 HydrophobicContact CD1-CE1 3.93Å; Y574-Y872 AromaticContact CE1-CE1 3.76Å; Y574-Y872 HydrophobicContact CE1-CE1 3.76Å
575	V	94.7	Very high	93	Very high	26 Å²	26	32.6 Å²	32.6	16%	0.158	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.4	172.9	-173	0	0	0	0	108.5	F404 H587 R588 S871	F404-V575 HydrophobicContact CE2-CG2 4.17Å; F404-V575 HydrophobicContact CZ-CG2 4.03Å; V575-H587 CarbonylContact O-C 3.58Å; V575-H587 VanDerWaalsContact O-CA 3.23Å; V575-H587 WeakPolarHBondContact O-CA 3.35Å; V575-H587 WeakPolarHBondContact O-CB 3.24Å; V575-R588 HydrophobicContact CB-CG 3.97Å; V575-R588 PolarHBondContact N-O 2.97Å; V575-R588 PolarHBondContact O-N 3.02Å; V575-S871 VanDerWaalsContact CA-O 3.3Å; V575-S871 WeakPolarHBondContact CA-O 3.34Å
576	A	94.1	Very high	93	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	141	176.8	0	0	0	0	0	113.1	Y574 V584 S586 H587 S871 Y872 T873	Y574-A576 HydrophobicContact CD1-CB 4.41Å; Y574-A576 HydrophobicContact CE1-CB 3.62Å; A576-V584 HydrophobicContact CB-CG1 4.21Å; A576-S586 VanDerWaalsContact CA-O 3.29Å; A576-S586 WeakPolarHBondContact CA-O 3.18Å; A576-H587 HydrophobicContact CB-CB 3.83Å; A576-S871 PolarHBondContact N-O 3.32Å; A576-S871 VanDerWaalsContact N-O 3.08Å; A576-Y872 HydrophobicContact CB-CD1 4.05Å; A576-Y872 HydrophobicContact CB-CE1 4.36Å; A576-Y872 VanDerWaalsContact O-CA 3.28Å; A576-Y872 WeakPolarHBondContact O-CA 3.45Å; A576-T873 PolarHBondContact O-N 3.45Å
577	D	94.6	Very high	92.8	Very high	61 Å²	61	35.9 Å²	35.9	33%	0.326	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.7	168.4	-56.7	-42.8	0	0	0	109.2	K585 S586 T873	D577-K585 PolarHBondContact O-N 2.74Å; D577-S586 WeakPolarHBondContact CB-OG 3.49Å; D577-S586 PolarHBondContact N-O 3.04Å; D577-S586 PolarHBondContact N-OG 3.01Å; D577-S586 PolarHBondContact O-N 2.88Å; D577-S586 PolarHBondContact OD2-OG 2.83Å; D577-T873 CarbonylContact C-O 3.47Å; D577-T873 WeakPolarHBondContact CA-O 3.21Å; D577-T873 WeakPolarHBondContact OD1-CB 3.16Å; D577-T873 PolarHBondContact OD1-OG1 3.2Å
578	V	94.7	Very high	92.7	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.1	-168.4	-170	0	0	0	0	109.9	L583 L681 Y872 T873 V874 E875	V578-L583 CarbonylContact C-O 3.58Å; V578-L583 WeakPolarHBondContact CA-O 3.03Å; V578-L681 HydrophobicContact CG1-CD1 4.13Å; V578-L681 HydrophobicContact CG2-CD1 3.71Å; V578-Y872 HydrophobicContact CG2-CG 4.33Å; V578-T873 PolarHBondContact N-O 3.01Å; V578-V874 HydrophobicContact CB-CB 4.5Å; V578-V874 HydrophobicContact CB-CG1 4.38Å; V578-V874 HydrophobicContact CB-CG2 4.18Å; V578-V874 HydrophobicContact CG2-CG2 4.38Å; V578-E875 PolarHBondContact O-N 3.02Å
579	S	92.6	Very high	92.6	Very high	10 Å²	10	37.5 Å²	37.5	7%	0.07	20%	0.196	C	C	.	.			trans	-67.9	164.2	177.3	70.9	0	0	0	0	112.7	T581 G582 L583 E875	S579-T581 PolarHBondContact O-N 3.29Å; S579-T581 PolarHBondContact OG-N 3.42Å; S579-T581 PolarHBondContact OG-OG1 3.33Å; S579-G582 PolarHBondContact O-N 2.9Å; S579-G582 PolarHBondContact OG-N 2.9Å; S579-L583 PolarHBondContact N-O 2.93Å; S579-L583 PolarHBondContact OG-N 2.82Å; S579-L583 PolarHBondContact OG-O 2.93Å; S579-E875 WeakPolarHBondContact CA-OE2 3.32Å
580	R	90.4	Very high	92.5	Very high	101 Å²	101	37.5 Å²	37.5	38%	0.381	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-18	169	72.6	-176.5	71.1	-162.7	4.4	114	E875 D877 V907	R580-E875 HydrophobicContact CB-CB 4.29Å; R580-E875 PolarHBondContact N-OE2 3.46Å; R580-D877 HydrophobicContact CB-CB 4.29Å; R580-D877 WeakPolarHBondContact CD-OD1 3.43Å; R580-D877 IonicContact CZ-OD1 3.56Å; R580-D877 IonicContact NE-OD1 3.81Å; R580-D877 IonicContact NH1-OD1 2.67Å; R580-D877 PolarHBondContact NH1-OD1 3.14Å; R580-V907 VanDerWaalsContact NH1-CG1 3.3Å
581	T	86.4	Confident	92.5	Very high	105 Å²	105	37.5 Å²	37.5	64%	0.644	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	6.4	176.4	55.6	0	0	0	0	113.5	S579 L583	S579-T581 PolarHBondContact O-N 3.29Å; S579-T581 PolarHBondContact OG-N 3.42Å; S579-T581 PolarHBondContact OG-OG1 3.33Å; T581-L583 VanDerWaalsContact C-N 3.32Å; T581-L583 PolarHBondContact O-N 2.84Å
582	G	85.1	Confident	92.6	Very high	37 Å²	37	36.9 Å²	36.9	38%	0.381	19%	0.193	S	C	.	.	S	Bend	trans	76.9	11	179.6	0	0	0	0	0	115.1	S579	S579-G582 PolarHBondContact O-N 2.9Å; S579-G582 PolarHBondContact OG-N 2.9Å
583	L	88.3	Confident	92.7	Very high	96 Å²	96	36.9 Å²	36.9	50%	0.503	19%	0.193	S	C	.	.			trans	-90.5	139.5	177.8	-60.7	176.2	0	0	0	110.7	V578 S579 T581 K585 L678	V578-L583 CarbonylContact C-O 3.58Å; V578-L583 WeakPolarHBondContact CA-O 3.03Å; S579-L583 PolarHBondContact N-O 2.93Å; S579-L583 PolarHBondContact OG-N 2.82Å; S579-L583 PolarHBondContact OG-O 2.93Å; T581-L583 VanDerWaalsContact C-N 3.32Å; T581-L583 PolarHBondContact O-N 2.84Å; L583-K585 PolarHBondContact O-N 3.25Å; L583-L678 HydrophobicContact CD2-CD1 4.4Å
584	V	91	Very high	92.8	Very high	30 Å²	30	37.6 Å²	37.6	18%	0.182	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	126.1	175.7	-173.2	0	0	0	0	109.7	A576 S586 H587 L681	A576-V584 HydrophobicContact CB-CG1 4.21Å; V584-S586 WeakPolarHBondContact CG1-O 3.25Å; V584-H587 HydrophobicContact CG1-CB 3.98Å; V584-L681 HydrophobicContact CG2-CD1 4.11Å; V584-L681 HydrophobicContact CG2-CD2 3.72Å; V584-L681 HydrophobicContact CG2-CG 3.94Å
585	K	89.9	Confident	92.9	Very high	129 Å²	129	37.7 Å²	37.7	56%	0.561	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	-44	174.1	-62.9	-169.5	-177.3	-173.6	0	112	D577 L583 E875	D577-K585 PolarHBondContact O-N 2.74Å; L583-K585 PolarHBondContact O-N 3.25Å; K585-E875 WeakPolarHBondContact CE-OE2 3.48Å; K585-E875 IonicContact NZ-OE1 3.96Å; K585-E875 PolarHBondContact NZ-OE1 3.29Å; K585-E875 IonicContact NZ-OE2 2.6Å; K585-E875 PolarHBondContact NZ-OE2 3.25Å
586	S	91	Very high	92.9	Very high	36 Å²	36	36.5 Å²	36.5	25%	0.252	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.9	177.6	89.7	0	0	0	0	108.5	A576 D577 V584	A576-S586 VanDerWaalsContact CA-O 3.29Å; A576-S586 WeakPolarHBondContact CA-O 3.18Å; D577-S586 WeakPolarHBondContact CB-OG 3.49Å; D577-S586 PolarHBondContact N-O 3.04Å; D577-S586 PolarHBondContact N-OG 3.01Å; D577-S586 PolarHBondContact O-N 2.88Å; D577-S586 PolarHBondContact OD2-OG 2.83Å; V584-S586 WeakPolarHBondContact CG1-O 3.25Å
587	H	91.7	Very high	92.9	Very high	34 Å²	34	36.5 Å²	36.5	16%	0.157	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	161.7	163.3	56.1	-159.2	0	0	0	113.3	Y574 V575 A576 V584 P675 P676	Y574-H587 HydrophobicContact CE2-CB 3.63Å; Y574-H587 AromaticContact CE2-CG 3.96Å; Y574-H587 AromaticContact CE2-ND1 3.96Å; Y574-H587 AromaticContact CZ-ND1 3.89Å; Y574-H587 WeakPolarHBondContact OH-CB 2.87Å; Y574-H587 PolarHBondContact OH-ND1 3.15Å; V575-H587 CarbonylContact O-C 3.58Å; V575-H587 VanDerWaalsContact O-CA 3.23Å; V575-H587 WeakPolarHBondContact O-CA 3.35Å; V575-H587 WeakPolarHBondContact O-CB 3.24Å; A576-H587 HydrophobicContact CB-CB 3.83Å; V584-H587 HydrophobicContact CG1-CB 3.98Å; H587-P675 PolarHBondContact NE2-O 2.89Å; H587-P676 PolarHBondContact CE1-O 3.24Å
588	R	93	Very high	92.9	Very high	59 Å²	59	33.7 Å²	33.7	22%	0.223	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	134.4	174.9	54.7	-170.1	-167.5	-118.7	-5.3	111.3	F404 Y574 V575	F404-R588 HydrophobicContact CD2-CB 4.12Å; F404-R588 HydrophobicContact CD2-CG 3.8Å; F404-R588 HydrophobicContact CE2-CB 4.45Å; F404-R588 HydrophobicContact CE2-CG 3.96Å; F404-R588 PolarHBondContact O-NE 3.32Å; F404-R588 PolarHBondContact O-NH2 2.72Å; Y574-R588 WeakPolarHBondContact CA-O 3.49Å; V575-R588 HydrophobicContact CB-CG 3.97Å; V575-R588 PolarHBondContact N-O 2.97Å; V575-R588 PolarHBondContact O-N 3.02Å
589	A	94	Very high	92.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.7	-179.5	0	0	0	0	0	111.8	E573 Y574 R672 V673 P675 V841	E573-A589 CarbonylContact O-C 3.44Å; E573-A589 WeakPolarHBondContact O-CA 3.4Å; Y574-A589 HydrophobicContact CD2-CB 4.14Å; A589-R672 VanDerWaalsContact C-NH1 3.32Å; A589-R672 PolarHBondContact O-NH1 3.49Å; A589-V673 HydrophobicContact CB-CG2 3.6Å; A589-V673 PolarHBondContact O-N 3.31Å; A589-P675 HydrophobicContact CB-CG 3.92Å; A589-V841 HydrophobicContact CB-CG1 3.77Å
590	R	95	Very high	92.8	Very high	26 Å²	26	34.9 Å²	34.9	10%	0.098	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.8	177.7	-176	176.1	71	157.9	2	110.2	F404 E573 R592	F404-R590 HydrophobicContact CD1-CB 4.12Å; F404-R590 VanDerWaalsContact CD1-NE 3.31Å; F404-R590 HydrophobicContact CD2-CB 3.79Å; F404-R590 HydrophobicContact CE1-CB 4.18Å; F404-R590 HydrophobicContact CE2-CB 3.87Å; F404-R590 HydrophobicContact CG-CB 3.92Å; F404-R590 HydrophobicContact CZ-CB 4.06Å; E573-R590 PolarHBondContact N-O 2.8Å; E573-R590 PolarHBondContact O-N 3.43Å; E573-R590 IonicContact OE1-NH2 2.78Å; E573-R590 IonicContact OE2-CZ 2.97Å; E573-R590 VanDerWaalsContact OE2-CZ 3.26Å; E573-R590 IonicContact OE2-NE 3.61Å; E573-R590 PolarHBondContact OE2-NE 2.89Å; E573-R590 IonicContact OE2-NH2 2.75Å; E573-R590 PolarHBondContact OE2-NH2 3.31Å; R590-R592 HydrophobicContact CG-CG 4.33Å
591	V	96.7	Very high	92.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.7	176.2	-174.7	0	0	0	0	109.6	Y571 I593 R670 F671 S842 T844	Y571-V591 CarbonylContact O-C 3.49Å; Y571-V591 VanDerWaalsContact O-CA 3.3Å; Y571-V591 WeakPolarHBondContact O-CA 3.46Å; V591-I593 HydrophobicContact CG1-CD1 4.01Å; V591-R670 CarbonylContact O-C 3.57Å; V591-R670 WeakPolarHBondContact O-CA 3.35Å; V591-R670 WeakPolarHBondContact O-CB 3.36Å; V591-F671 HydrophobicContact CB-CD1 3.96Å; V591-F671 HydrophobicContact CB-CD2 4.17Å; V591-F671 HydrophobicContact CB-CE1 3.55Å; V591-F671 HydrophobicContact CB-CE2 3.75Å; V591-F671 HydrophobicContact CB-CG 4.28Å; V591-F671 HydrophobicContact CB-CZ 3.45Å; V591-F671 VanDerWaalsContact CB-CZ 3.45Å; V591-F671 HydrophobicContact CG1-CD1 4.29Å; V591-F671 HydrophobicContact CG1-CE1 3.5Å; V591-F671 VanDerWaalsContact CG1-CE1 3.5Å; V591-F671 HydrophobicContact CG1-CE2 4.33Å; V591-F671 HydrophobicContact CG1-CZ 3.54Å; V591-F671 HydrophobicContact CG2-CD2 4.31Å; V591-F671 HydrophobicContact CG2-CE1 4.32Å; V591-F671 HydrophobicContact CG2-CE2 3.66Å; V591-F671 HydrophobicContact CG2-CZ 3.69Å; V591-F671 PolarHBondContact N-O 3.4Å; V591-F671 PolarHBondContact O-N 2.75Å; V591-S842 VanDerWaalsContact CG2-OG 3.29Å; V591-S842 WeakPolarHBondContact CG2-OG 3.45Å; V591-T844 HydrophobicContact CG1-CG2 4.22Å
592	R	96.6	Very high	93.1	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.019	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	119.6	-178.2	-55.9	169.4	72	-174.8	2.1	109.4	E545 Y571 E573 R590 F594 E667 R670	E545-R592 IonicContact OE2-CZ 2.76Å; E545-R592 IonicContact OE2-NH1 3.24Å; E545-R592 PolarHBondContact OE2-NH1 3.11Å; E545-R592 IonicContact OE2-NH2 3.5Å; E545-R592 PolarHBondContact OE2-NH2 2.84Å; Y571-R592 PolarHBondContact N-O 3.38Å; Y571-R592 PolarHBondContact O-N 3.23Å; E573-R592 VanDerWaalsContact CD-CD 3.42Å; E573-R592 WeakPolarHBondContact OE1-CD 3.42Å; E573-R592 IonicContact OE1-CZ 2.77Å; E573-R592 IonicContact OE1-NH1 3.19Å; E573-R592 PolarHBondContact OE1-NH1 3.44Å; E573-R592 VanDerWaalsContact OE2-CD 3.24Å; E573-R592 WeakPolarHBondContact OE2-CD 3.49Å; E573-R592 IonicContact OE2-NH1 3.33Å; R590-R592 HydrophobicContact CG-CG 4.33Å; R592-F594 HydrophobicContact CB-CD2 4.34Å; R592-F594 HydrophobicContact CB-CE2 3.77Å; R592-E667 HydrophobicContact CB-CG 4.47Å; R592-E667 VanDerWaalsContact CG-OE1 3.3Å; R592-E667 WeakPolarHBondContact CG-OE1 3.5Å; R592-E667 IonicContact CZ-OE1 3.15Å; R592-E667 IonicContact CZ-OE2 2.75Å; R592-E667 VanDerWaalsContact NE-CD 3.28Å; R592-E667 IonicContact NE-OE1 3.96Å; R592-E667 PolarHBondContact NE-OE1 2.86Å; R592-E667 IonicContact NE-OE2 2.83Å; R592-E667 PolarHBondContact NE-OE2 3.44Å; R592-E667 IonicContact NH2-OE1 2.71Å; R592-E667 IonicContact NH2-OE2 3.35Å; R592-E667 PolarHBondContact NH2-OE2 2.86Å; R592-R670 HydrophobicContact CG-CB 4.21Å
593	I	97.5	Very high	93.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.6	178.9	-51.9	-56.2	0	0	0	108.5	V568 H569 C570 V591 L609 E667 V668 F669	V568-I593 HydrophobicContact CG1-CG2 3.76Å; H569-I593 CarbonylContact O-C 3.47Å; H569-I593 WeakPolarHBondContact O-CA 3.29Å; C570-I593 HydrophobicContact CB-CD1 3.82Å; V591-I593 HydrophobicContact CG1-CD1 4.01Å; I593-L609 HydrophobicContact CD1-CD2 4.48Å; I593-L609 HydrophobicContact CG1-CD1 4.29Å; I593-E667 CarbonylContact O-C 3.53Å; I593-V668 HydrophobicContact CB-CG2 4.46Å; I593-V668 HydrophobicContact CG2-CG2 4.13Å; I593-V668 WeakPolarHBondContact O-CG2 3.3Å; I593-V668 PolarHBondContact O-N 3.24Å; I593-F669 HydrophobicContact CB-CB 4.33Å; I593-F669 HydrophobicContact CG1-CD1 4.01Å; I593-F669 PolarHBondContact N-O 2.99Å; I593-F669 PolarHBondContact O-N 3.34Å
594	F	96.8	Very high	93.8	Very high	27 Å²	27	25.7 Å²	25.7	12%	0.118	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	145.3	174.3	-66.1	-115.8	0	0	0	110.1	V568 H569 Y571 R592 F665 V666 E667	V568-F594 WeakPolarHBondContact CA-O 3.21Å; H569-F594 HydrophobicContact CB-CB 4.29Å; H569-F594 PolarHBondContact N-O 2.92Å; H569-F594 PolarHBondContact O-N 3.5Å; Y571-F594 AromaticContact CD2-CD2 3.44Å; Y571-F594 HydrophobicContact CD2-CD2 3.44Å; Y571-F594 VanDerWaalsContact CD2-CD2 3.44Å; Y571-F594 AromaticContact CD2-CE2 3.5Å; Y571-F594 HydrophobicContact CD2-CE2 3.5Å; Y571-F594 HydrophobicContact CD2-CG 4.45Å; Y571-F594 AromaticContact CE2-CD2 3.48Å; Y571-F594 HydrophobicContact CE2-CD2 3.48Å; Y571-F594 VanDerWaalsContact CE2-CD2 3.48Å; Y571-F594 AromaticContact CE2-CE2 3.74Å; Y571-F594 HydrophobicContact CE2-CE2 3.74Å; Y571-F594 HydrophobicContact CE2-CG 4.09Å; R592-F594 HydrophobicContact CB-CD2 4.34Å; R592-F594 HydrophobicContact CB-CE2 3.77Å; F594-F665 HydrophobicContact CB-CD2 4.39Å; F594-F665 HydrophobicContact CB-CE1 4Å; F594-F665 HydrophobicContact CB-CE2 3.68Å; F594-F665 HydrophobicContact CB-CZ 3.44Å; F594-F665 VanDerWaalsContact CB-CZ 3.44Å; F594-F665 AromaticContact CD1-CD1 3.82Å; F594-F665 HydrophobicContact CD1-CD1 3.82Å; F594-F665 AromaticContact CD1-CE1 3.22Å; F594-F665 HydrophobicContact CD1-CE1 3.22Å; F594-F665 HydrophobicContact CD1-CE2 4.46Å; F594-F665 AromaticContact CD1-CZ 3.59Å; F594-F665 HydrophobicContact CD1-CZ 3.59Å; F594-F665 HydrophobicContact CD2-CZ 4.47Å; F594-F665 HydrophobicContact CE1-CD1 4.44Å; F594-F665 AromaticContact CE1-CE1 3.78Å; F594-F665 HydrophobicContact CE1-CE1 3.78Å; F594-F665 HydrophobicContact CE1-CZ 4.42Å; F594-F665 AromaticContact CG-CE1 3.78Å; F594-F665 HydrophobicContact CG-CE1 3.78Å; F594-F665 HydrophobicContact CG-CE2 4.35Å; F594-F665 AromaticContact CG-CZ 3.61Å; F594-F665 HydrophobicContact CG-CZ 3.61Å; F594-V666 CarbonylContact C-O 3.58Å; F594-V666 WeakPolarHBondContact CA-O 3.32Å; F594-E667 HydrophobicContact CD1-CB 3.84Å; F594-E667 VanDerWaalsContact CD1-N 3.34Å; F594-E667 HydrophobicContact CD2-CB 4.35Å; F594-E667 HydrophobicContact CD2-CG 4.38Å; F594-E667 HydrophobicContact CE1-CB 3.65Å; F594-E667 HydrophobicContact CE1-CG 4.41Å; F594-E667 HydrophobicContact CE2-CB 4.18Å; F594-E667 HydrophobicContact CE2-CG 4.08Å; F594-E667 HydrophobicContact CG-CB 4.2Å; F594-E667 HydrophobicContact CZ-CB 3.83Å; F594-E667 HydrophobicContact CZ-CG 4.1Å
595	C	96.4	Very high	94	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.027	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141	174.3	-171.2	0	0	0	0	109.8	F665 V666 V668	C595-F665 WeakPolarHBondContact O-CA 3.34Å; C595-V666 PolarHBondContact N-O 2.99Å; C595-V666 PolarHBondContact O-N 2.69Å; C595-V668 HydrophobicContact CB-CG1 3.73Å; C595-V668 HydrophobicContact CB-CG2 4.11Å
596	L	95.1	Very high	94.3	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	126.9	167.6	167.7	66.6	0	0	0	107.6	Y491 Q567 F598 C664 F665	Y491-L596 HydrophobicContact CD2-CD1 4.42Å; Y491-L596 HydrophobicContact CE1-CD1 4.49Å; Y491-L596 HydrophobicContact CE1-CD2 3.74Å; Y491-L596 HydrophobicContact CE2-CD1 3.92Å; Y491-L596 HydrophobicContact CE2-CD2 4.45Å; Y491-L596 WeakPolarHBondContact OH-CD2 3.35Å; Q567-L596 HydrophobicContact CB-CB 4.38Å; Q567-L596 PolarHBondContact N-O 2.97Å; Q567-L596 PolarHBondContact O-N 2.92Å; L596-F598 HydrophobicContact CD1-CE1 4.09Å; L596-F598 HydrophobicContact CD1-CE2 4.01Å; L596-F598 HydrophobicContact CD1-CZ 3.54Å; L596-F598 HydrophobicContact CD2-CE2 3.77Å; L596-F598 HydrophobicContact CD2-CZ 3.77Å; L596-F598 HydrophobicContact CG-CE2 3.65Å; L596-F598 HydrophobicContact CG-CZ 3.69Å; L596-C664 VanDerWaalsContact CD1-C 3.43Å; L596-F665 HydrophobicContact CB-CB 4.16Å; L596-F665 HydrophobicContact CB-CD2 3.86Å; L596-F665 HydrophobicContact CD1-CB 4.28Å; L596-F665 HydrophobicContact CD2-CB 4.45Å; L596-F665 HydrophobicContact CD2-CD2 4.42Å
597	A	94.2	Very high	94.6	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.2	-176.9	0	0	0	0	0	112.1	I566 V599 P660 A663	I566-A597 HydrophobicContact CG1-CB 4.33Å; A597-V599 HydrophobicContact CB-CG1 4.3Å; A597-V599 HydrophobicContact CB-CG2 3.98Å; A597-P660 HydrophobicContact CB-CB 3.65Å; A597-P660 HydrophobicContact CB-CG 3.53Å; A597-A663 PolarHBondContact O-N 2.75Å; A597-A663 VanDerWaalsContact O-N 3.09Å
598	F	93.6	Very high	94.8	Very high	1 Å²	1	17.2 Å²	17.2	0%	0.004	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	81.3	167.9	-50.4	-74.8	0	0	0	105.1	Y491 H519 Y561 D564 E565 L596 A663	Y491-F598 HydrophobicContact CD1-CE1 4Å; Y491-F598 AromaticContact CD1-CZ 3.46Å; Y491-F598 HydrophobicContact CD1-CZ 3.46Å; Y491-F598 VanDerWaalsContact CD1-CZ 3.46Å; Y491-F598 HydrophobicContact CD2-CE1 4.2Å; Y491-F598 HydrophobicContact CD2-CZ 4.21Å; Y491-F598 AromaticContact CE1-CZ 3.91Å; Y491-F598 HydrophobicContact CE1-CZ 3.91Å; Y491-F598 AromaticContact CG-CE1 3.67Å; Y491-F598 HydrophobicContact CG-CE1 3.67Å; Y491-F598 AromaticContact CG-CZ 3.62Å; Y491-F598 HydrophobicContact CG-CZ 3.62Å; H519-F598 HydrophobicContact CB-CD1 4.17Å; H519-F598 HydrophobicContact CB-CD2 3.76Å; H519-F598 HydrophobicContact CB-CE1 3.86Å; H519-F598 HydrophobicContact CB-CE2 3.39Å; H519-F598 HydrophobicContact CB-CG 4.12Å; H519-F598 HydrophobicContact CB-CZ 3.45Å; H519-F598 VanDerWaalsContact CB-CZ 3.45Å; H519-F598 AromaticContact CD2-CD1 3.59Å; H519-F598 AromaticContact CD2-CD2 3.92Å; H519-F598 AromaticContact CD2-CG 3.48Å; H519-F598 VanDerWaalsContact CD2-CG 3.48Å; H519-F598 WeakPolarHBondContact CD2-CG 3.33Å; H519-F598 AromaticContact CE1-CD2 3.82Å; H519-F598 AromaticContact CE1-CG 3.69Å; H519-F598 AromaticContact CG-CD1 3.75Å; H519-F598 AromaticContact CG-CD2 3.34Å; H519-F598 AromaticContact CG-CE1 3.97Å; H519-F598 AromaticContact CG-CE2 3.57Å; H519-F598 AromaticContact CG-CG 3.42Å; H519-F598 VanDerWaalsContact CG-CG 3.42Å; H519-F598 AromaticContact CG-CZ 3.87Å; H519-F598 AromaticContact ND1-CD2 3.28Å; H519-F598 VanDerWaalsContact ND1-CD2 3.28Å; H519-F598 WeakPolarHBondContact ND1-CD2 3.43Å; H519-F598 AromaticContact ND1-CE2 3.84Å; H519-F598 AromaticContact ND1-CG 3.57Å; H519-F598 WeakPolarHBondContact NE2-CB 3.39Å; H519-F598 AromaticContact NE2-CG 3.68Å; Y561-F598 HydrophobicContact CD1-CB 3.81Å; Y561-F598 HydrophobicContact CD1-CD1 4.41Å; Y561-F598 VanDerWaalsContact CD2-C 3.47Å; Y561-F598 HydrophobicContact CD2-CB 4.26Å; Y561-F598 HydrophobicContact CE1-CB 3.85Å; Y561-F598 AromaticContact CE1-CD1 3.76Å; Y561-F598 HydrophobicContact CE1-CD1 3.76Å; Y561-F598 HydrophobicContact CE1-CG 4.29Å; Y561-F598 HydrophobicContact CE2-CB 4.31Å; Y561-F598 HydrophobicContact CG-CB 4.03Å; D564-F598 CarbonylContact C-O 3.57Å; D564-F598 WeakPolarHBondContact CA-O 3.48Å; E565-F598 HydrophobicContact CB-CB 4.5Å; E565-F598 HydrophobicContact CB-CD2 4.16Å; E565-F598 HydrophobicContact CG-CD2 4.49Å; E565-F598 PolarHBondContact N-O 3.49Å; E565-F598 PolarHBondContact O-N 2.87Å; L596-F598 HydrophobicContact CD1-CE1 4.09Å; L596-F598 HydrophobicContact CD1-CE2 4.01Å; L596-F598 HydrophobicContact CD1-CZ 3.54Å; L596-F598 HydrophobicContact CD2-CE2 3.77Å; L596-F598 HydrophobicContact CD2-CZ 3.77Å; L596-F598 HydrophobicContact CG-CE2 3.65Å; L596-F598 HydrophobicContact CG-CZ 3.69Å; F598-A663 HydrophobicContact CD1-CB 3.95Å; F598-A663 HydrophobicContact CE1-CB 3.7Å
599	V	92.8	Very high	94.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.			trans	-131.7	124.7	-172.8	-65.2	0	0	0	0	110.8	R555 D564 I566 A597 P603 P660 V860	R555-V599 PolarHBondContact NH1-O 3.32Å; R555-V599 VanDerWaalsContact NH1-O 3.11Å; R555-V599 PolarHBondContact NH2-O 3.41Å; D564-V599 WeakPolarHBondContact OD1-CA 3.24Å; I566-V599 HydrophobicContact CD1-CG1 3.97Å; I566-V599 HydrophobicContact CG1-CG1 3.54Å; A597-V599 HydrophobicContact CB-CG1 4.3Å; A597-V599 HydrophobicContact CB-CG2 3.98Å; V599-P603 HydrophobicContact CB-CG 3.91Å; V599-P603 HydrophobicContact CG2-CG 3.59Å; V599-P660 HydrophobicContact CG2-CG 4.21Å; V599-V860 HydrophobicContact CG1-CG1 4.13Å
600	T	93	Very high	95	Very high	41 Å²	41	14.8 Å²	14.8	25%	0.252	8%	0.076	S	C	.	.	B	Isolated β-bridge	trans	-65.3	146.9	-175.6	-64	0	0	0	0	111.3	G559 Y561 D564 P603 H854	G559-T600 CarbonylContact O-C 3.59Å; G559-T600 WeakPolarHBondContact O-CA 3.4Å; Y561-T600 PolarHBondContact N-OG1 3.41Å; D564-T600 VanDerWaalsContact OD1-CB 3.31Å; D564-T600 WeakPolarHBondContact OD1-CB 3.37Å; D564-T600 PolarHBondContact OD1-N 2.91Å; D564-T600 PolarHBondContact OD1-OG1 3.33Å; T600-P603 WeakPolarHBondContact O-CD 3.5Å; T600-H854 PolarHBondContact O-CD2 3.12Å; T600-H854 PolarHBondContact O-NE2 3.32Å
601	G	91	Very high	94.9	Very high	26 Å²	26	13.7 Å²	13.7	27%	0.268	7%	0.073	S	C	.	.	B	Isolated β-bridge	trans	70.8	-140.7	-175.1	0	0	0	0	0	113	R555 P558 G559	R555-G601 PolarHBondContact NH1-O 2.85Å; R555-G601 VanDerWaalsContact NH1-O 3.14Å; R555-G601 PolarHBondContact NH2-O 3.36Å; P558-G601 VanDerWaalsContact CA-O 3.29Å; P558-G601 WeakPolarHBondContact CA-O 3.26Å; G559-G601 PolarHBondContact N-O 2.98Å; G559-G601 PolarHBondContact O-N 2.95Å
602	M	92	Very high	94.6	Very high	65 Å²	65	20.3 Å²	20.3	32%	0.32	10%	0.097	S	C	.	.			trans	-136.3	56.1	177.3	-68.4	-171.3	171.3	0	0	112.8	E556 Q557 P558 K659	E556-M602 VanDerWaalsContact O-CE 3.25Å; E556-M602 WeakPolarHBondContact O-CE 3.4Å; Q557-M602 VanDerWaalsContact C-CE 3.42Å; P558-M602 HydrophobicContact CB-CG 4.21Å; M602-K659 PolarHBondContact O-NZ 2.99Å
603	P	93.7	Very high	94.4	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.			trans	-63.9	158.8	179.7	28.2	-36.7	0	0	0	112.2	V599 T600 V851 D852 H854	V599-P603 HydrophobicContact CB-CG 3.91Å; V599-P603 HydrophobicContact CG2-CG 3.59Å; T600-P603 WeakPolarHBondContact O-CD 3.5Å; P603-V851 HydrophobicContact CB-CG1 3.7Å; P603-V851 HydrophobicContact CG-CG1 4.21Å; P603-D852 CarbonylContact C-O 3.59Å; P603-D852 WeakPolarHBondContact CA-O 3.42Å; P603-D852 WeakPolarHBondContact CB-O 3.38Å; P603-H854 HydrophobicContact CB-CB 4.13Å
604	W	94.7	Very high	94	Very high	54 Å²	54	26.8 Å²	26.8	21%	0.205	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	141	160.5	-67.9	97.5	0	0	0	109.6	D646 R657 K659 V851 D852 Q853	W604-D646 HydrophobicContact CZ3-CB 4.25Å; W604-R657 HydrophobicContact CD2-CG 4.24Å; W604-R657 HydrophobicContact CE3-CG 3.58Å; W604-R657 HydrophobicContact CZ3-CG 4.04Å; W604-K659 HydrophobicContact CD2-CD 4.43Å; W604-K659 HydrophobicContact CD2-CG 3.83Å; W604-K659 HydrophobicContact CE3-CG 3.68Å; W604-K659 HydrophobicContact CG-CG 4.47Å; W604-K659 HydrophobicContact CH2-CG 4.28Å; W604-K659 HydrophobicContact CZ2-CG 4.4Å; W604-K659 HydrophobicContact CZ3-CG 3.92Å; W604-V851 WeakPolarHBondContact O-CA 3.14Å; W604-D852 HydrophobicContact CB-CB 4.24Å; W604-D852 PolarHBondContact N-O 2.85Å; W604-D852 PolarHBondContact O-N 3.01Å; W604-Q853 VanDerWaalsContact CD1-CD 3.41Å; W604-Q853 VanDerWaalsContact CD1-OE1 3.28Å
605	V	95.7	Very high	93.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132	168.7	178.4	0	0	0	0	107.9	I566 I607 R657 L658 P660 V849 A850	I566-V605 HydrophobicContact CD1-CG1 4.16Å; I566-V605 HydrophobicContact CD1-CG2 3.67Å; I566-V605 HydrophobicContact CG2-CG1 4.42Å; V605-I607 HydrophobicContact CG1-CG1 4.19Å; V605-R657 WeakPolarHBondContact O-CA 3.45Å; V605-L658 PolarHBondContact N-O 3.05Å; V605-L658 PolarHBondContact O-N 3.19Å; V605-P660 HydrophobicContact CG2-CG 3.81Å; V605-V849 HydrophobicContact CG1-CG1 4.43Å; V605-A850 WeakPolarHBondContact CA-O 3.44Å
606	E	96.3	Very high	93.3	Very high	51 Å²	51	33.9 Å²	33.9	24%	0.238	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.9	-179.8	-76.6	-176.4	166.3	0	0	109.6	V655 I656 R657 V849 A850	E606-V655 HydrophobicContact CB-CG1 3.81Å; E606-V655 HydrophobicContact CG-CG1 4.2Å; E606-I656 WeakPolarHBondContact CA-O 3.45Å; E606-R657 HydrophobicContact CG-CB 3.99Å; E606-R657 HydrophobicContact CG-CG 3.84Å; E606-R657 WeakPolarHBondContact OE1-CD 3.5Å; E606-R657 IonicContact OE1-CZ 2.62Å; E606-R657 IonicContact OE1-NE 2.69Å; E606-R657 IonicContact OE1-NH1 2.69Å; E606-R657 PolarHBondContact OE1-NH1 2.73Å; E606-V849 WeakPolarHBondContact O-CA 3.5Å; E606-A850 HydrophobicContact CB-CB 4.19Å; E606-A850 PolarHBondContact N-O 2.82Å; E606-A850 PolarHBondContact O-N 2.75Å
607	I	97	Very high	93.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.5	-178.8	-52.7	170.1	0	0	0	108.8	V568 V605 L609 I656 L658 I846	V568-I607 HydrophobicContact CG1-CD1 3.98Å; V568-I607 HydrophobicContact CG1-CG2 4.24Å; V568-I607 HydrophobicContact CG2-CD1 3.86Å; V568-I607 HydrophobicContact CG2-CG1 4.25Å; V605-I607 HydrophobicContact CG1-CG1 4.19Å; I607-L609 HydrophobicContact CG2-CD2 4.35Å; I607-I656 HydrophobicContact CB-CB 4.25Å; I607-I656 PolarHBondContact N-O 3.03Å; I607-I656 PolarHBondContact O-N 2.9Å; I607-L658 HydrophobicContact CD1-CD2 4.2Å; I607-I846 HydrophobicContact CG2-CG2 4.04Å
608	G	95.8	Very high	92.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.7	176.4	0	0	0	0	0	112.3	R614 I846 R847 S848	G608-R614 VanDerWaalsContact CA-NH1 3.34Å; G608-I846 CarbonylContact O-C 3.6Å; G608-I846 WeakPolarHBondContact O-CA 3.29Å; G608-R847 PolarHBondContact O-N 2.83Å; G608-S848 PolarHBondContact N-O 2.68Å; G608-S848 PolarHBondContact O-N 2.92Å
609	L	96	Very high	92.6	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	164.1	173.9	-55.3	-178.1	0	0	0	111.2	I593 I607 D611 F636 I656 F669 F671 T844 V845 I846	I593-L609 HydrophobicContact CD1-CD2 4.48Å; I593-L609 HydrophobicContact CG1-CD1 4.29Å; I607-L609 HydrophobicContact CG2-CD2 4.35Å; L609-D611 PolarHBondContact O-N 2.77Å; L609-F636 HydrophobicContact CB-CE2 4.2Å; L609-F636 HydrophobicContact CB-CZ 3.79Å; L609-F636 HydrophobicContact CD1-CE2 4.05Å; L609-F636 HydrophobicContact CD1-CZ 3.92Å; L609-I656 HydrophobicContact CD1-CD1 3.85Å; L609-I656 HydrophobicContact CG-CD1 4.17Å; L609-F669 HydrophobicContact CD1-CD1 4.08Å; L609-F669 HydrophobicContact CD1-CE1 3.84Å; L609-F671 HydrophobicContact CD1-CE1 4.08Å; L609-T844 HydrophobicContact CD2-CG2 4.36Å; L609-V845 WeakPolarHBondContact CA-O 3.34Å; L609-I846 HydrophobicContact CD2-CB 4.29Å; L609-I846 HydrophobicContact CD2-CG1 3.51Å
610	N	94.7	Very high	92.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.268	C	S	.	.			trans	-75.7	50.2	174	60.3	-32.6	0	0	0	114.4	R612 T630 R632 W633 I634 N843 V845 R847	N610-R612 PolarHBondContact O-N 3.05Å; N610-T630 HydrophobicContact CB-CG2 3.62Å; N610-R632 PolarHBondContact ND2-O 2.94Å; N610-W633 HydrophobicContact CB-CD2 4.45Å; N610-W633 HydrophobicContact CB-CE3 4.04Å; N610-W633 HydrophobicContact CB-CZ3 4.34Å; N610-I634 WeakPolarHBondContact ND2-CD1 3.37Å; N610-I634 PolarHBondContact O-N 2.86Å; N610-I634 WeakPolarHBondContact OD1-CD1 3.48Å; N610-N843 PolarHBondContact ND2-O 3.42Å; N610-V845 PolarHBondContact N-O 3.04Å; N610-V845 PolarHBondContact OD1-N 3.01Å; N610-V845 PolarHBondContact OD1-O 3.24Å; N610-R847 HydrophobicContact CB-CG 4.47Å
611	D	93.9	Very high	92.3	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-68.7	124.1	171.1	-169.7	-37.7	0	0	0	111	L609 R613 R614 Q615 W633 F636	L609-D611 PolarHBondContact O-N 2.77Å; D611-R613 PolarHBondContact O-N 3.21Å; D611-R613 VanDerWaalsContact OD1-CB 3.25Å; D611-R613 WeakPolarHBondContact OD1-CB 3.28Å; D611-R613 WeakPolarHBondContact OD1-CG 3.31Å; D611-R613 PolarHBondContact OD1-N 2.96Å; D611-R613 IonicContact OD1-NE 3.78Å; D611-R613 PolarHBondContact OD1-NE 3.45Å; D611-R613 VanDerWaalsContact OD1-NE 3.16Å; D611-R613 IonicContact OD2-CZ 2.72Å; D611-R613 VanDerWaalsContact OD2-CZ 3.24Å; D611-R613 IonicContact OD2-NE 3.79Å; D611-R613 PolarHBondContact OD2-NE 3.37Å; D611-R613 IonicContact OD2-NH2 2.88Å; D611-R613 PolarHBondContact OD2-NH2 2.57Å; D611-R614 WeakPolarHBondContact O-CA 3.49Å; D611-R614 PolarHBondContact O-N 3.22Å; D611-Q615 PolarHBondContact O-N 3.14Å; D611-W633 VanDerWaalsContact O-CZ3 3.25Å; D611-W633 WeakPolarHBondContact O-CZ3 3.44Å; D611-F636 HydrophobicContact CB-CD2 4.07Å; D611-F636 HydrophobicContact CB-CE2 3.54Å; D611-F636 HydrophobicContact CB-CZ 3.91Å; D611-F636 VanDerWaalsContact OD2-CD2 3.25Å; D611-F636 WeakPolarHBondContact OD2-CD2 3.45Å
612	R	91	Very high	92.3	Very high	139 Å²	139	63.8 Å²	63.8	53%	0.525	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-50.3	-30.4	176.7	178.9	-179.7	172.3	-172.6	-1	113.3	N610 R614 Q615 W633 I634	N610-R612 PolarHBondContact O-N 3.05Å; R612-R614 VanDerWaalsContact C-N 3.27Å; R612-R614 PolarHBondContact O-N 2.9Å; R612-Q615 WeakPolarHBondContact O-CB 3.43Å; R612-Q615 PolarHBondContact O-N 3.22Å; R612-W633 HydrophobicContact CB-CB 4.33Å; R612-I634 VanDerWaalsContact CB-O 3.29Å; R612-I634 WeakPolarHBondContact CB-O 3.31Å; R612-I634 PolarHBondContact N-O 3.12Å
613	R	90.7	Very high	92	Very high	124 Å²	124	66.9 Å²	66.9	47%	0.468	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-71	-19.8	177.7	-59.2	175.5	-66.4	154.8	4.5	113.2	D611 Y650 Q654	D611-R613 PolarHBondContact O-N 3.21Å; D611-R613 VanDerWaalsContact OD1-CB 3.25Å; D611-R613 WeakPolarHBondContact OD1-CB 3.28Å; D611-R613 WeakPolarHBondContact OD1-CG 3.31Å; D611-R613 PolarHBondContact OD1-N 2.96Å; D611-R613 IonicContact OD1-NE 3.78Å; D611-R613 PolarHBondContact OD1-NE 3.45Å; D611-R613 VanDerWaalsContact OD1-NE 3.16Å; D611-R613 IonicContact OD2-CZ 2.72Å; D611-R613 VanDerWaalsContact OD2-CZ 3.24Å; D611-R613 IonicContact OD2-NE 3.79Å; D611-R613 PolarHBondContact OD2-NE 3.37Å; D611-R613 IonicContact OD2-NH2 2.88Å; D611-R613 PolarHBondContact OD2-NH2 2.57Å; R613-Y650 PolarHBondContact NH2-OH 2.85Å; R613-Y650 VanDerWaalsContact NH2-OH 3.08Å; R613-Q654 HydrophobicContact CB-CG 4.29Å; R613-Q654 VanDerWaalsContact NH1-OE1 3.14Å
614	R	90.6	Very high	92	Very high	17 Å²	17	67 Å²	67	6%	0.064	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-100.9	-1	177.3	-155.8	179.9	179.1	-150.3	-0.5	113.1	G608 D611 R612 G616 L617 E618 Q654 V655	G608-R614 VanDerWaalsContact CA-NH1 3.34Å; D611-R614 WeakPolarHBondContact O-CA 3.49Å; D611-R614 PolarHBondContact O-N 3.22Å; R612-R614 VanDerWaalsContact C-N 3.27Å; R612-R614 PolarHBondContact O-N 2.9Å; R614-G616 PolarHBondContact O-N 2.86Å; R614-G616 VanDerWaalsContact O-N 3.14Å; R614-L617 PolarHBondContact O-N 2.87Å; R614-E618 HydrophobicContact CG-CG 4.02Å; R614-Q654 HydrophobicContact CB-CB 4.27Å; R614-Q654 HydrophobicContact CG-CB 4.5Å; R614-V655 VanDerWaalsContact CZ-CG2 3.49Å
615	Q	90.2	Very high	91.9	Very high	109 Å²	109	68.8 Å²	68.8	51%	0.509	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	117.4	-177.9	-178.2	170.9	-1.9	0	0	111.5	D611 R612 L617 W633	D611-Q615 PolarHBondContact O-N 3.14Å; R612-Q615 WeakPolarHBondContact O-CB 3.43Å; R612-Q615 PolarHBondContact O-N 3.22Å; Q615-L617 VanDerWaalsContact C-N 3.28Å; Q615-L617 PolarHBondContact O-N 2.93Å; Q615-W633 HydrophobicContact CB-CD2 3.74Å; Q615-W633 HydrophobicContact CB-CE3 3.87Å; Q615-W633 HydrophobicContact CB-CG 4.16Å; Q615-W633 HydrophobicContact CB-CH2 4.37Å; Q615-W633 HydrophobicContact CB-CZ2 4.28Å; Q615-W633 HydrophobicContact CB-CZ3 4.18Å; Q615-W633 VanDerWaalsContact CD-CD1 3.45Å; Q615-W633 HydrophobicContact CG-CD2 3.84Å; Q615-W633 HydrophobicContact CG-CE3 4.46Å; Q615-W633 HydrophobicContact CG-CG 4Å; Q615-W633 HydrophobicContact CG-CZ2 4.15Å
616	G	87.6	Confident	91.7	Very high	72 Å²	72	69.8 Å²	69.8	74%	0.742	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-1	-177.1	0	0	0	0	0	115.6	R614	R614-G616 PolarHBondContact O-N 2.86Å; R614-G616 VanDerWaalsContact O-N 3.14Å
617	L	90.4	Very high	91.4	Very high	127 Å²	127	71.9 Å²	71.9	67%	0.665	35%	0.353	S	S	*	.			trans	-109.1	12.6	-179.6	-57.6	178.6	0	0	0	112.9	R614 Q615 V619	R614-L617 PolarHBondContact O-N 2.87Å; Q615-L617 VanDerWaalsContact C-N 3.28Å; Q615-L617 PolarHBondContact O-N 2.93Å; L617-V619 PolarHBondContact O-N 3.47Å
618	E	88.8	Confident	90.7	Very high	47 Å²	47	75.2 Å²	75.2	22%	0.22	37%	0.369	C	S	.	.			trans	-78.3	98.7	-178.8	-69.7	-179	-64.1	0	0	112.9	R614 V620 W633 R847	R614-E618 HydrophobicContact CG-CG 4.02Å; E618-V620 HydrophobicContact CB-CG2 4.48Å; E618-W633 HydrophobicContact CG-CH2 4.23Å; E618-W633 WeakPolarHBondContact OE1-CH2 3.34Å; E618-R847 IonicContact OE1-CZ 3.7Å; E618-R847 IonicContact OE1-NE 3.18Å; E618-R847 PolarHBondContact OE1-NE 2.94Å; E618-R847 IonicContact OE1-NH2 2.69Å; E618-R847 PolarHBondContact OE1-NH2 3.23Å; E618-R847 WeakPolarHBondContact OE2-CD 3.36Å; E618-R847 IonicContact OE2-CZ 3.77Å; E618-R847 IonicContact OE2-NE 3.24Å; E618-R847 PolarHBondContact OE2-NE 3.14Å; E618-R847 IonicContact OE2-NH2 3.46Å
619	V	89.1	Confident	89.9	Confident	139 Å²	139	83.3 Å²	83.3	84%	0.842	40%	0.401	S	S	*	.			trans	-91.3	111.8	165.1	-175	0	0	0	0	109.1	L617	L617-V619 PolarHBondContact O-N 3.47Å
620	V	89.4	Confident	89.3	Confident	41 Å²	41	83.8 Å²	83.8	25%	0.248	40%	0.404	C	S	.	.			trans	-145.1	141	-176.3	-178	0	0	0	0	109.5	E618 D624 I625	E618-V620 HydrophobicContact CB-CG2 4.48Å; V620-D624 HydrophobicContact CG1-CB 3.72Å; V620-I625 HydrophobicContact CB-CG1 4.29Å; V620-I625 HydrophobicContact CG1-CG1 3.83Å
621	R	89.5	Confident	88.5	Confident	120 Å²	120	88.4 Å²	88.4	45%	0.453	43%	0.426	S	S	.	.			trans	-72.6	144	175.4	-51.5	172.4	-63.3	-148.1	0.2	109.6	K623 D624 V851	R621-K623 PolarHBondContact O-N 3.38Å; R621-D624 WeakPolarHBondContact CB-OD2 3.3Å; R621-D624 IonicContact CZ-OD2 2.75Å; R621-D624 IonicContact NE-OD2 3.76Å; R621-D624 PolarHBondContact NE-OD2 3.02Å; R621-D624 IonicContact NH2-OD1 2.98Å; R621-D624 PolarHBondContact NH2-OD1 3.43Å; R621-D624 IonicContact NH2-OD2 3.69Å; R621-D624 PolarHBondContact NH2-OD2 2.96Å; R621-D624 PolarHBondContact O-N 2.86Å; R621-V851 PolarHBondContact NH1-O 2.97Å; R621-V851 PolarHBondContact NH2-O 2.88Å
622	R	90.7	Very high	88	Confident	224 Å²	224	91.1 Å²	91.1	85%	0.845	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.3	-175.8	-64.7	-178.6	-177	134.4	0.5	114.8	D624	R622-D624 VanDerWaalsContact C-N 3.35Å
623	K	86.9	Confident	88	Confident	129 Å²	129	86.9 Å²	86.9	56%	0.561	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.3	176.8	-65.6	-180	178.3	171.4	0	114.6	R621 E858 K862	R621-K623 PolarHBondContact O-N 3.38Å; K623-E858 HydrophobicContact CD-CG 4.34Å; K623-E858 WeakPolarHBondContact CD-OE1 3.36Å; K623-E858 IonicContact NZ-OE1 2.99Å; K623-E858 PolarHBondContact NZ-OE1 3.04Å; K623-E858 IonicContact NZ-OE2 3.86Å; K623-E858 PolarHBondContact NZ-OE2 2.82Å; K623-K862 PolarHBondContact O-NZ 3.27Å
624	D	93	Very high	87.9	Confident	4 Å²	4	81.1 Å²	81.1	2%	0.021	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-10.6	176.6	-56.4	-48.1	0	0	0	113.1	V620 R621 R622 S848 V849 A850 K862	V620-D624 HydrophobicContact CG1-CB 3.72Å; R621-D624 WeakPolarHBondContact CB-OD2 3.3Å; R621-D624 IonicContact CZ-OD2 2.75Å; R621-D624 IonicContact NE-OD2 3.76Å; R621-D624 PolarHBondContact NE-OD2 3.02Å; R621-D624 IonicContact NH2-OD1 2.98Å; R621-D624 PolarHBondContact NH2-OD1 3.43Å; R621-D624 IonicContact NH2-OD2 3.69Å; R621-D624 PolarHBondContact NH2-OD2 2.96Å; R621-D624 PolarHBondContact O-N 2.86Å; R622-D624 VanDerWaalsContact C-N 3.35Å; D624-S848 CarbonylContact O-C 3.59Å; D624-S848 WeakPolarHBondContact O-CA 3.35Å; D624-S848 VanDerWaalsContact O-CB 3.28Å; D624-S848 WeakPolarHBondContact O-CB 3.38Å; D624-V849 WeakPolarHBondContact CB-O 3.39Å; D624-V849 PolarHBondContact O-N 3.45Å; D624-A850 HydrophobicContact CB-CB 3.74Å; D624-A850 VanDerWaalsContact CG-CB 3.46Å; D624-A850 WeakPolarHBondContact OD1-CA 3.38Å; D624-K862 IonicContact OD1-NZ 3.66Å; D624-K862 PolarHBondContact OD1-NZ 2.78Å
625	I	92.7	Very high	88	Confident	91 Å²	91	81.9 Å²	81.9	47%	0.467	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-72	129.3	176.6	-58.3	175.5	0	0	0	108.9	V620	V620-I625 HydrophobicContact CB-CG1 4.29Å; V620-I625 HydrophobicContact CG1-CG1 3.83Å
626	M	92.7	Very high	88.1	Confident	21 Å²	21	77.7 Å²	77.7	10%	0.103	38%	0.381	C	S	.	.			trans	-85.2	140.3	175.7	-64	-66	96.9	0	0	110.1	M628 I846 R847 V849 K862 V864	M626-M628 PolarHBondContact O-N 2.87Å; M626-I846 WeakPolarHBondContact CB-O 3.4Å; M626-I846 HydrophobicContact CG-CG2 4.34Å; M626-R847 PolarHBondContact N-O 3.05Å; M626-V849 HydrophobicContact CE-CB 4.28Å; M626-V849 HydrophobicContact CG-CG2 4.14Å; M626-V849 HydrophobicContact SD-CB 4.36Å; M626-V849 HydrophobicContact SD-CG2 4.1Å; M626-K862 HydrophobicContact CE-CB 4.1Å; M626-K862 HydrophobicContact CE-CD 3.92Å; M626-K862 HydrophobicContact SD-CB 4.45Å; M626-V864 HydrophobicContact CG-CG2 3.99Å; M626-V864 HydrophobicContact SD-CG2 3.78Å
627	P	87.9	Confident	88.3	Confident	95 Å²	95	75.4 Å²	75.4	62%	0.617	35%	0.351	S	S	*	.	S	Bend	trans	-78.1	47.7	-176.1	34.1	-37.6	0	0	0	112.8
628	M	82.9	Confident	88.4	Confident	71 Å²	71	74.2 Å²	74.2	35%	0.35	34%	0.342	S	S	.	.			trans	-110.9	120.6	-179.3	-67.1	-60.6	-54	0	0	110.2	M626 V845 Y866	M626-M628 PolarHBondContact O-N 2.87Å; M628-V845 HydrophobicContact CB-CG1 3.6Å; M628-Y866 HydrophobicContact CE-CD2 4.4Å; M628-Y866 HydrophobicContact CE-CE2 3.68Å; M628-Y866 HydrophobicContact CG-CE2 4.32Å; M628-Y866 HydrophobicContact SD-CE2 4.11Å
629	Y	79.5	Confident	88.7	Confident	170 Å²	170	74 Å²	74	67%	0.667	35%	0.345	S	S	*	.			trans	-64.6	138.6	173.3	-172.4	-116.1	0	0	0	110.6	E631	Y629-E631 HydrophobicContact CD1-CG 3.8Å; Y629-E631 HydrophobicContact CE1-CB 4.44Å; Y629-E631 HydrophobicContact CE1-CG 3.83Å
630	T	84.3	Confident	89	Confident	17 Å²	17	70.9 Å²	70.9	10%	0.104	32%	0.322	C	S	.	.			trans	-112.5	102.1	177.8	-59	0	0	0	0	108.4	N610 R632 R847	N610-T630 HydrophobicContact CB-CG2 3.62Å; T630-R632 VanDerWaalsContact C-N 3.34Å; T630-R632 WeakPolarHBondContact CG2-O 3.24Å; T630-R847 VanDerWaalsContact CB-NH1 3.3Å; T630-R847 WeakPolarHBondContact OG1-CD 3.5Å; T630-R847 WeakPolarHBondContact OG1-CG 3.43Å; T630-R847 PolarHBondContact OG1-NH1 2.68Å
631	E	76.5	Confident	89.3	Confident	97 Å²	97	71.2 Å²	71.2	45%	0.453	32%	0.32	S	S	.	.			trans	-70.8	-31.9	179.6	-55.6	-161.7	173	0	0	112.5	Y629 S709	Y629-E631 HydrophobicContact CD1-CG 3.8Å; Y629-E631 HydrophobicContact CE1-CB 4.44Å; Y629-E631 HydrophobicContact CE1-CG 3.83Å; E631-S709 WeakPolarHBondContact OE1-CB 3.49Å; E631-S709 PolarHBondContact OE1-OG 3.24Å
632	R	83.9	Confident	89.5	Confident	60 Å²	60	65.7 Å²	65.7	23%	0.226	30%	0.299	C	S	.	.			trans	-149.3	160.3	-168.1	-59.7	176.7	176.6	-116.4	14.8	112	P390 L392 N610 T630	P390-R632 VanDerWaalsContact O-CZ 3.32Å; P390-R632 PolarHBondContact O-NH1 3.42Å; P390-R632 PolarHBondContact O-NH2 2.82Å; L392-R632 HydrophobicContact CD2-CB 3.92Å; N610-R632 PolarHBondContact ND2-O 2.94Å; T630-R632 VanDerWaalsContact C-N 3.34Å; T630-R632 WeakPolarHBondContact CG2-O 3.24Å
633	W	90	Very high	89.6	Confident	49 Å²	49	57.1 Å²	57.1	19%	0.186	27%	0.274	C	S	.	.			trans	-113.8	141.2	176.6	-70.4	89.8	0	0	0	110.6	L392 N610 D611 R612 Q615 E618	L392-W633 WeakPolarHBondContact CD2-O 3.46Å; N610-W633 HydrophobicContact CB-CD2 4.45Å; N610-W633 HydrophobicContact CB-CE3 4.04Å; N610-W633 HydrophobicContact CB-CZ3 4.34Å; D611-W633 VanDerWaalsContact O-CZ3 3.25Å; D611-W633 WeakPolarHBondContact O-CZ3 3.44Å; R612-W633 HydrophobicContact CB-CB 4.33Å; Q615-W633 HydrophobicContact CB-CD2 3.74Å; Q615-W633 HydrophobicContact CB-CE3 3.87Å; Q615-W633 HydrophobicContact CB-CG 4.16Å; Q615-W633 HydrophobicContact CB-CH2 4.37Å; Q615-W633 HydrophobicContact CB-CZ2 4.28Å; Q615-W633 HydrophobicContact CB-CZ3 4.18Å; Q615-W633 VanDerWaalsContact CD-CD1 3.45Å; Q615-W633 HydrophobicContact CG-CD2 3.84Å; Q615-W633 HydrophobicContact CG-CE3 4.46Å; Q615-W633 HydrophobicContact CG-CG 4Å; Q615-W633 HydrophobicContact CG-CZ2 4.15Å; E618-W633 HydrophobicContact CG-CH2 4.23Å; E618-W633 WeakPolarHBondContact OE1-CH2 3.34Å
634	I	90	Very high	89.9	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.015	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-113.9	140.2	-162.6	-51	166.5	0	0	0	111	L392 N610 R612 F636 V673 S842 T844	L392-I634 HydrophobicContact CD2-CG1 4.11Å; N610-I634 WeakPolarHBondContact ND2-CD1 3.37Å; N610-I634 PolarHBondContact O-N 2.86Å; N610-I634 WeakPolarHBondContact OD1-CD1 3.48Å; R612-I634 VanDerWaalsContact CB-O 3.29Å; R612-I634 WeakPolarHBondContact CB-O 3.31Å; R612-I634 PolarHBondContact N-O 3.12Å; I634-F636 HydrophobicContact CB-CD1 4.06Å; I634-F636 HydrophobicContact CB-CE1 3.77Å; I634-F636 HydrophobicContact CD1-CE1 4.08Å; I634-F636 HydrophobicContact CG2-CD1 3.75Å; I634-F636 HydrophobicContact CG2-CE1 3.86Å; I634-V673 HydrophobicContact CG2-CG1 3.74Å; I634-S842 WeakPolarHBondContact CD1-O 3.19Å; I634-S842 WeakPolarHBondContact CG1-O 3.33Å; I634-T844 VanDerWaalsContact CD1-CA 3.49Å
635	R	91.2	Very high	90	Very high	34 Å²	34	52.5 Å²	52.5	13%	0.128	26%	0.256	C	S	.	.			trans	-83.4	116.6	160.3	179.6	-173	64.6	-144.8	-7.4	108.4	F393 E394 D397 E637	F393-R635 HydrophobicContact CE1-CB 4.47Å; E394-R635 PolarHBondContact O-NH1 2.91Å; E394-R635 PolarHBondContact O-NH2 2.87Å; D397-R635 VanDerWaalsContact CG-CZ 3.46Å; D397-R635 IonicContact OD1-CZ 3.76Å; D397-R635 IonicContact OD1-NE 3.86Å; D397-R635 PolarHBondContact OD1-NE 3.01Å; D397-R635 IonicContact OD1-NH1 2.72Å; D397-R635 PolarHBondContact OD1-NH1 3.22Å; D397-R635 IonicContact OD1-NH2 3.98Å; D397-R635 PolarHBondContact OD1-NH2 2.65Å; D397-R635 VanDerWaalsContact OD1-NH2 3.1Å; D397-R635 IonicContact OD2-CZ 2.94Å; D397-R635 VanDerWaalsContact OD2-CZ 3.28Å; D397-R635 IonicContact OD2-NE 3.69Å; D397-R635 IonicContact OD2-NH1 3.71Å; D397-R635 PolarHBondContact OD2-NH1 3.01Å; R635-E637 HydrophobicContact CG-CG 4.42Å; R635-E637 IonicContact CZ-OE1 2.85Å; R635-E637 VanDerWaalsContact CZ-OE1 3.25Å; R635-E637 IonicContact NE-OE1 3.01Å; R635-E637 PolarHBondContact NE-OE1 2.99Å; R635-E637 IonicContact NH2-OE1 3.71Å; R635-E637 PolarHBondContact NH2-OE1 3.16Å
636	F	92.8	Very high	90.1	Very high	20 Å²	20	50.5 Å²	50.5	9%	0.088	25%	0.246	C	C	.	.			trans	-84	136	171.3	-56.3	-25.1	0	0	0	110.4	L609 D611 I634 F669 F671	L609-F636 HydrophobicContact CB-CE2 4.2Å; L609-F636 HydrophobicContact CB-CZ 3.79Å; L609-F636 HydrophobicContact CD1-CE2 4.05Å; L609-F636 HydrophobicContact CD1-CZ 3.92Å; D611-F636 HydrophobicContact CB-CD2 4.07Å; D611-F636 HydrophobicContact CB-CE2 3.54Å; D611-F636 HydrophobicContact CB-CZ 3.91Å; D611-F636 VanDerWaalsContact OD2-CD2 3.25Å; D611-F636 WeakPolarHBondContact OD2-CD2 3.45Å; I634-F636 HydrophobicContact CB-CD1 4.06Å; I634-F636 HydrophobicContact CB-CE1 3.77Å; I634-F636 HydrophobicContact CD1-CE1 4.08Å; I634-F636 HydrophobicContact CG2-CD1 3.75Å; I634-F636 HydrophobicContact CG2-CE1 3.86Å; F636-F669 HydrophobicContact CD2-CE1 4.48Å; F636-F669 HydrophobicContact CD2-CZ 4.3Å; F636-F669 HydrophobicContact CE2-CE1 4.43Å; F636-F671 HydrophobicContact CB-CB 4.37Å; F636-F671 HydrophobicContact CB-CD2 3.99Å; F636-F671 HydrophobicContact CB-CG 4.29Å; F636-F671 AromaticContact CD1-CD2 3.51Å; F636-F671 HydrophobicContact CD1-CD2 3.51Å; F636-F671 HydrophobicContact CD1-CE1 4.42Å; F636-F671 AromaticContact CD1-CE2 3.2Å; F636-F671 HydrophobicContact CD1-CE2 3.2Å; F636-F671 HydrophobicContact CD1-CG 4.24Å; F636-F671 AromaticContact CD1-CZ 3.7Å; F636-F671 HydrophobicContact CD1-CZ 3.7Å; F636-F671 HydrophobicContact CE1-CD2 4.16Å; F636-F671 HydrophobicContact CE1-CE1 4.23Å; F636-F671 AromaticContact CE1-CE2 3.43Å; F636-F671 HydrophobicContact CE1-CE2 3.43Å; F636-F671 VanDerWaalsContact CE1-CE2 3.43Å; F636-F671 AromaticContact CE1-CZ 3.44Å; F636-F671 HydrophobicContact CE1-CZ 3.44Å; F636-F671 VanDerWaalsContact CE1-CZ 3.44Å; F636-F671 AromaticContact CG-CD2 3.84Å; F636-F671 HydrophobicContact CG-CD2 3.84Å; F636-F671 AromaticContact CG-CE2 3.98Å; F636-F671 HydrophobicContact CG-CE2 3.98Å; F636-F671 HydrophobicContact CG-CG 4.2Å; F636-F671 HydrophobicContact CG-CZ 4.42Å; F636-F671 HydrophobicContact CZ-CE1 4.39Å; F636-F671 HydrophobicContact CZ-CE2 4.35Å; F636-F671 AromaticContact CZ-CZ 3.98Å; F636-F671 HydrophobicContact CZ-CZ 3.98Å
637	E	92.3	Very high	90.2	Very high	25 Å²	25	54.7 Å²	54.7	12%	0.117	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	156.6	175.6	-67.7	167.2	-115.8	0	0	109.2	L401 R635 C639 R672 R674	L401-E637 HydrophobicContact CD1-CB 3.89Å; R635-E637 HydrophobicContact CG-CG 4.42Å; R635-E637 IonicContact CZ-OE1 2.85Å; R635-E637 VanDerWaalsContact CZ-OE1 3.25Å; R635-E637 IonicContact NE-OE1 3.01Å; R635-E637 PolarHBondContact NE-OE1 2.99Å; R635-E637 IonicContact NH2-OE1 3.71Å; R635-E637 PolarHBondContact NH2-OE1 3.16Å; E637-C639 PolarHBondContact O-N 3.3Å; E637-R672 HydrophobicContact CB-CB 4.45Å; E637-R672 PolarHBondContact N-O 3.03Å; E637-R672 PolarHBondContact O-N 2.75Å; E637-R674 PolarHBondContact OE1-N 2.91Å; E637-R674 IonicContact OE1-NH1 2.68Å; E637-R674 IonicContact OE2-CZ 3.77Å; E637-R674 IonicContact OE2-NH1 2.67Å; E637-R674 PolarHBondContact OE2-NH1 3.38Å; E637-R674 IonicContact OE2-NH2 3.62Å; E637-R674 PolarHBondContact OE2-NH2 2.58Å
638	E	92.3	Very high	90.5	Very high	101 Å²	101	57.4 Å²	57.4	47%	0.472	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	42.9	54.6	179.9	-56.3	-169.9	147.6	0	0	114.7	L401 E640 R672	L401-E638 HydrophobicContact CD1-CG 4.26Å; E638-E640 PolarHBondContact O-N 2.75Å; E638-R672 HydrophobicContact CB-CB 4.28Å; E638-R672 HydrophobicContact CB-CG 3.74Å; E638-R672 HydrophobicContact CG-CG 4.31Å; E638-R672 WeakPolarHBondContact OE2-CG 3.44Å; E638-R672 IonicContact OE2-NE 3.4Å
639	C	94.5	Very high	91	Very high	43 Å²	43	54.1 Å²	54.1	29%	0.291	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	116.8	179	-70.6	0	0	0	0	112.2	E637 F641 F669	E637-C639 PolarHBondContact O-N 3.3Å; C639-F641 HydrophobicContact CB-CE2 4.09Å; C639-F641 HydrophobicContact CB-CZ 4.05Å; C639-F669 HydrophobicContact CB-CE2 3.93Å; C639-F669 HydrophobicContact CB-CZ 4.34Å
640	E	95.3	Very high	91.7	Very high	73 Å²	73	46.3 Å²	46.3	34%	0.341	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	144.7	172.9	-70.4	-177.6	-83.4	0	0	111.5	F549 K550 E638 F669 R670	F549-E640 HydrophobicContact CE1-CB 3.84Å; F549-E640 HydrophobicContact CZ-CB 3.89Å; K550-E640 WeakPolarHBondContact CE-OE2 3.21Å; K550-E640 IonicContact NZ-OE2 2.93Å; E638-E640 PolarHBondContact O-N 2.75Å; E640-F669 VanDerWaalsContact O-CD2 3.29Å; E640-F669 WeakPolarHBondContact O-CD2 3.25Å; E640-R670 HydrophobicContact CB-CG 3.84Å; E640-R670 PolarHBondContact N-O 2.77Å; E640-R670 PolarHBondContact O-N 2.87Å; E640-R670 IonicContact OE1-CZ 2.75Å; E640-R670 IonicContact OE1-NE 3.17Å; E640-R670 PolarHBondContact OE1-NE 3.28Å; E640-R670 IonicContact OE1-NH2 3.8Å; E640-R670 PolarHBondContact OE1-NH2 2.86Å; E640-R670 IonicContact OE2-CZ 3.85Å; E640-R670 IonicContact OE2-NE 3.91Å; E640-R670 IonicContact OE2-NH2 3.45Å; E640-R670 PolarHBondContact OE2-NH2 2.98Å
641	F	95.8	Very high	92.2	Very high	49 Å²	49	49.4 Å²	49.4	22%	0.215	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.9	-174.5	-54.5	-88.6	0	0	0	112	C639 V645 K647 Y650 F669	C639-F641 HydrophobicContact CB-CE2 4.09Å; C639-F641 HydrophobicContact CB-CZ 4.05Å; F641-V645 HydrophobicContact CB-CB 4.36Å; F641-V645 HydrophobicContact CD1-CB 4.45Å; F641-V645 HydrophobicContact CD1-CG1 4Å; F641-K647 HydrophobicContact CD2-CG 4.45Å; F641-K647 HydrophobicContact CE2-CG 4.46Å; F641-Y650 AromaticContact CE1-CD1 3.73Å; F641-Y650 HydrophobicContact CE1-CD1 3.73Å; F641-Y650 AromaticContact CE1-CD2 3.76Å; F641-Y650 HydrophobicContact CE1-CD2 3.76Å; F641-Y650 AromaticContact CE1-CE1 4Å; F641-Y650 HydrophobicContact CE1-CE1 4Å; F641-Y650 HydrophobicContact CE1-CE2 4.01Å; F641-Y650 AromaticContact CE1-CG 3.6Å; F641-Y650 HydrophobicContact CE1-CG 3.6Å; F641-Y650 AromaticContact CZ-CD1 3.42Å; F641-Y650 HydrophobicContact CZ-CD1 3.42Å; F641-Y650 VanDerWaalsContact CZ-CD1 3.42Å; F641-Y650 HydrophobicContact CZ-CD2 4.27Å; F641-Y650 AromaticContact CZ-CE1 3.51Å; F641-Y650 HydrophobicContact CZ-CE1 3.51Å; F641-Y650 HydrophobicContact CZ-CE2 4.34Å; F641-Y650 AromaticContact CZ-CG 3.81Å; F641-Y650 HydrophobicContact CZ-CG 3.81Å; F641-Y650 AromaticContact CZ-CZ 3.97Å; F641-F669 AromaticContact CD1-CD2 3.55Å; F641-F669 HydrophobicContact CD1-CD2 3.55Å; F641-F669 AromaticContact CD1-CE2 3.99Å; F641-F669 HydrophobicContact CD1-CE2 3.99Å; F641-F669 AromaticContact CE1-CD2 3.42Å; F641-F669 HydrophobicContact CE1-CD2 3.42Å; F641-F669 VanDerWaalsContact CE1-CD2 3.42Å; F641-F669 AromaticContact CE1-CE2 3.38Å; F641-F669 HydrophobicContact CE1-CE2 3.38Å; F641-F669 HydrophobicContact CE1-CZ 4.49Å; F641-F669 HydrophobicContact CG-CD2 4.36Å; F641-F669 HydrophobicContact CZ-CD2 4.14Å; F641-F669 AromaticContact CZ-CE2 3.7Å; F641-F669 HydrophobicContact CZ-CE2 3.7Å
642	H	95.4	Very high	92.9	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.019	25%	0.247	C	C	.	.			trans	-73.2	154.2	168.4	-175.5	-93.3	0	0	0	111.1	F549 L551 T644 V645 E667 V668	F549-H642 HydrophobicContact CD2-CB 4.37Å; F549-H642 HydrophobicContact CE2-CB 4.05Å; F549-H642 PolarHBondContact O-CD2 2.9Å; L551-H642 PolarHBondContact O-NE2 2.98Å; H642-T644 WeakPolarHBondContact ND1-CG2 3.47Å; H642-T644 PolarHBondContact ND1-N 3.49Å; H642-T644 PolarHBondContact ND1-OG1 2.85Å; H642-T644 PolarHBondContact O-N 3.42Å; H642-V645 PolarHBondContact O-N 3.3Å; H642-E667 WeakPolarHBondContact CB-O 3.32Å; H642-V668 WeakPolarHBondContact CB-O 3.5Å; H642-V668 PolarHBondContact N-O 2.82Å
643	S	92.7	Very high	93.3	Very high	44 Å²	44	53.3 Å²	53.3	31%	0.308	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-4.2	-177.3	64.5	0	0	0	0	116.7	L551 E552 A553 K554	L551-S643 PolarHBondContact O-OG 2.82Å; E552-S643 WeakPolarHBondContact CA-OG 3.36Å; A553-S643 PolarHBondContact N-OG 3.4Å; A553-S643 VanDerWaalsContact N-OG 3.14Å; K554-S643 WeakPolarHBondContact CE-O 3.25Å
644	T	92.6	Very high	93.5	Very high	17 Å²	17	52.3 Å²	52.3	10%	0.104	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-15.6	176.6	50.5	0	0	0	0	114.4	A553 H642 L658 L661	A553-T644 WeakPolarHBondContact O-CG2 3.22Å; H642-T644 WeakPolarHBondContact ND1-CG2 3.47Å; H642-T644 PolarHBondContact ND1-N 3.49Å; H642-T644 PolarHBondContact ND1-OG1 2.85Å; H642-T644 PolarHBondContact O-N 3.42Å; T644-L658 WeakPolarHBondContact O-CB 3.14Å; T644-L661 HydrophobicContact CG2-CD2 3.78Å; T644-L661 HydrophobicContact CG2-CG 4.03Å
645	V	95.1	Very high	93.7	Very high	18 Å²	18	52.7 Å²	52.7	11%	0.109	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-84.6	135.2	-177.1	-176.1	0	0	0	0	110	F641 H642 K647 I656 L658 V668	F641-V645 HydrophobicContact CB-CB 4.36Å; F641-V645 HydrophobicContact CD1-CB 4.45Å; F641-V645 HydrophobicContact CD1-CG1 4Å; H642-V645 PolarHBondContact O-N 3.3Å; V645-K647 PolarHBondContact O-N 3.04Å; V645-I656 HydrophobicContact CG1-CG2 3.9Å; V645-I656 HydrophobicContact CG2-CG2 4.07Å; V645-L658 HydrophobicContact CG2-CB 4.28Å; V645-V668 HydrophobicContact CG2-CB 4.23Å; V645-V668 VanDerWaalsContact CG2-O 3.29Å; V645-V668 WeakPolarHBondContact CG2-O 3.27Å
646	D	94.9	Very high	94	Very high	49 Å²	49	51.2 Å²	51.2	26%	0.262	25%	0.249	S	C	.	.			trans	-75.8	103.3	169.1	-178.5	-10	0	0	0	109.2	W604 E648 A649 Y650 R657	W604-D646 HydrophobicContact CZ3-CB 4.25Å; D646-E648 VanDerWaalsContact C-N 3.34Å; D646-E648 WeakPolarHBondContact OD1-CB 3.4Å; D646-E648 PolarHBondContact OD1-N 2.84Å; D646-A649 HydrophobicContact CB-CB 3.98Å; D646-A649 PolarHBondContact OD1-N 3.16Å; D646-Y650 PolarHBondContact O-N 2.8Å; D646-R657 HydrophobicContact CB-CB 4.45Å; D646-R657 PolarHBondContact N-O 2.76Å
647	K	94.1	Very high	94.1	Very high	110 Å²	110	52.6 Å²	52.6	48%	0.478	25%	0.253	S	S	.	.	H	α-helix	trans	-69.2	-31.5	178.5	-162.1	-166.7	175.6	-110.2	0	112.1	F641 V645 A649 Y650 D651	F641-K647 HydrophobicContact CD2-CG 4.45Å; F641-K647 HydrophobicContact CE2-CG 4.46Å; V645-K647 PolarHBondContact O-N 3.04Å; K647-A649 VanDerWaalsContact C-N 3.34Å; K647-Y650 PolarHBondContact O-N 3.41Å; K647-D651 WeakPolarHBondContact CE-OD2 3.42Å; K647-D651 IonicContact NZ-OD1 3.23Å; K647-D651 IonicContact NZ-OD2 2.71Å; K647-D651 PolarHBondContact NZ-OD2 3.08Å; K647-D651 WeakPolarHBondContact O-CB 3.43Å; K647-D651 PolarHBondContact O-N 2.81Å
648	E	95.1	Very high	94.3	Very high	152 Å²	152	51.4 Å²	51.4	71%	0.71	25%	0.248	S	C	*	.	H	α-helix	trans	-69.3	-36.8	-179.7	-62.3	-178.9	-165.8	0	0	110.9	D646 R652	D646-E648 VanDerWaalsContact C-N 3.34Å; D646-E648 WeakPolarHBondContact OD1-CB 3.4Å; D646-E648 PolarHBondContact OD1-N 2.84Å; E648-R652 WeakPolarHBondContact O-CB 3.23Å; E648-R652 PolarHBondContact O-N 2.65Å
649	A	92.9	Very high	94.4	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-40.4	169.3	0	0	0	0	0	112.7	D646 K647 D653 R657	D646-A649 HydrophobicContact CB-CB 3.98Å; D646-A649 PolarHBondContact OD1-N 3.16Å; K647-A649 VanDerWaalsContact C-N 3.34Å; A649-D653 WeakPolarHBondContact O-CB 3.4Å; A649-D653 PolarHBondContact O-N 2.64Å; A649-R657 HydrophobicContact CB-CB 3.82Å; A649-R657 HydrophobicContact CB-CG 4.43Å
650	Y	94.4	Very high	94.3	Very high	6 Å²	6	47.7 Å²	47.7	2%	0.024	23%	0.225	C	C	.	.	H	α-helix	trans	-65.9	-49.4	175.7	-175.7	-88.4	0	0	0	112.3	R613 F641 D646 K647 R652 Q654 V655 I656 F669	R613-Y650 PolarHBondContact NH2-OH 2.85Å; R613-Y650 VanDerWaalsContact NH2-OH 3.08Å; F641-Y650 AromaticContact CE1-CD1 3.73Å; F641-Y650 HydrophobicContact CE1-CD1 3.73Å; F641-Y650 AromaticContact CE1-CD2 3.76Å; F641-Y650 HydrophobicContact CE1-CD2 3.76Å; F641-Y650 AromaticContact CE1-CE1 4Å; F641-Y650 HydrophobicContact CE1-CE1 4Å; F641-Y650 HydrophobicContact CE1-CE2 4.01Å; F641-Y650 AromaticContact CE1-CG 3.6Å; F641-Y650 HydrophobicContact CE1-CG 3.6Å; F641-Y650 AromaticContact CZ-CD1 3.42Å; F641-Y650 HydrophobicContact CZ-CD1 3.42Å; F641-Y650 VanDerWaalsContact CZ-CD1 3.42Å; F641-Y650 HydrophobicContact CZ-CD2 4.27Å; F641-Y650 AromaticContact CZ-CE1 3.51Å; F641-Y650 HydrophobicContact CZ-CE1 3.51Å; F641-Y650 HydrophobicContact CZ-CE2 4.34Å; F641-Y650 AromaticContact CZ-CG 3.81Å; F641-Y650 HydrophobicContact CZ-CG 3.81Å; F641-Y650 AromaticContact CZ-CZ 3.97Å; D646-Y650 PolarHBondContact O-N 2.8Å; K647-Y650 PolarHBondContact O-N 3.41Å; Y650-R652 PolarHBondContact O-N 3.04Å; Y650-Q654 VanDerWaalsContact CE1-OE1 3.29Å; Y650-Q654 VanDerWaalsContact O-CA 3.25Å; Y650-Q654 WeakPolarHBondContact O-CA 3.36Å; Y650-Q654 PolarHBondContact O-N 2.74Å; Y650-Q654 PolarHBondContact O-NE2 2.87Å; Y650-Q654 PolarHBondContact O-OE1 2.9Å; Y650-V655 WeakPolarHBondContact CA-O 3.15Å; Y650-I656 HydrophobicContact CD2-CG1 4.16Å; Y650-I656 HydrophobicContact CE2-CG1 4.21Å; Y650-F669 HydrophobicContact CE2-CE2 4.33Å; Y650-F669 HydrophobicContact CE2-CZ 4.17Å
651	D	93.6	Very high	94.2	Very high	82 Å²	82	45.2 Å²	45.2	44%	0.439	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-30.9	-177.8	-74.4	-16.5	0	0	0	111.9	K647 Q654	K647-D651 WeakPolarHBondContact CE-OD2 3.42Å; K647-D651 IonicContact NZ-OD1 3.23Å; K647-D651 IonicContact NZ-OD2 2.71Å; K647-D651 PolarHBondContact NZ-OD2 3.08Å; K647-D651 WeakPolarHBondContact O-CB 3.43Å; K647-D651 PolarHBondContact O-N 2.81Å; D651-Q654 PolarHBondContact O-NE2 2.88Å
652	R	92.9	Very high	94	Very high	167 Å²	167	46 Å²	46	63%	0.63	22%	0.221	S	C	*	.	H	α-helix	trans	-82.1	-55.9	174.7	-175.7	-176.9	58	-119.2	-12.7	113.5	E648 Y650	E648-R652 WeakPolarHBondContact O-CB 3.23Å; E648-R652 PolarHBondContact O-N 2.65Å; Y650-R652 PolarHBondContact O-N 3.04Å
653	D	92.1	Very high	93.8	Very high	72 Å²	72	46.9 Å²	46.9	39%	0.385	23%	0.229	S	C	.	.	H	α-helix	trans	-104.5	-8.9	-162.8	-51.6	-55.9	0	0	0	113.6	A649 V655	A649-D653 WeakPolarHBondContact O-CB 3.4Å; A649-D653 PolarHBondContact O-N 2.64Å; D653-V655 HydrophobicContact CB-CG2 3.9Å; D653-V655 WeakPolarHBondContact O-CG2 3.29Å; D653-V655 PolarHBondContact O-N 2.65Å
654	Q	94.3	Very high	93.8	Very high	28 Å²	28	45 Å²	45	13%	0.131	22%	0.216	C	C	.	.	S	Bend	trans	54.1	39.4	-171.5	-50.1	-51.9	-41.9	0	0	113	R613 R614 Y650 D651	R613-Q654 HydrophobicContact CB-CG 4.29Å; R613-Q654 VanDerWaalsContact NH1-OE1 3.14Å; R614-Q654 HydrophobicContact CB-CB 4.27Å; R614-Q654 HydrophobicContact CG-CB 4.5Å; Y650-Q654 VanDerWaalsContact CE1-OE1 3.29Å; Y650-Q654 VanDerWaalsContact O-CA 3.25Å; Y650-Q654 WeakPolarHBondContact O-CA 3.36Å; Y650-Q654 PolarHBondContact O-N 2.74Å; Y650-Q654 PolarHBondContact O-NE2 2.87Å; Y650-Q654 PolarHBondContact O-OE1 2.9Å; D651-Q654 PolarHBondContact O-NE2 2.88Å
655	V	94.4	Very high	93.9	Very high	11 Å²	11	47 Å²	47	7%	0.067	22%	0.223	C	C	.	.			trans	-119.6	135.9	176.2	-166.9	0	0	0	0	109.3	E606 R614 Y650 D653 R657	E606-V655 HydrophobicContact CB-CG1 3.81Å; E606-V655 HydrophobicContact CG-CG1 4.2Å; R614-V655 VanDerWaalsContact CZ-CG2 3.49Å; Y650-V655 WeakPolarHBondContact CA-O 3.15Å; D653-V655 HydrophobicContact CB-CG2 3.9Å; D653-V655 WeakPolarHBondContact O-CG2 3.29Å; D653-V655 PolarHBondContact O-N 2.65Å; V655-R657 PolarHBondContact O-N 3.3Å
656	I	96.4	Very high	93.8	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	88.6	173.6	-52.5	163.3	0	0	0	107.1	E606 I607 L609 V645 Y650 L658 F669	E606-I656 WeakPolarHBondContact CA-O 3.45Å; I607-I656 HydrophobicContact CB-CB 4.25Å; I607-I656 PolarHBondContact N-O 3.03Å; I607-I656 PolarHBondContact O-N 2.9Å; L609-I656 HydrophobicContact CD1-CD1 3.85Å; L609-I656 HydrophobicContact CG-CD1 4.17Å; V645-I656 HydrophobicContact CG1-CG2 3.9Å; V645-I656 HydrophobicContact CG2-CG2 4.07Å; Y650-I656 HydrophobicContact CD2-CG1 4.16Å; Y650-I656 HydrophobicContact CE2-CG1 4.21Å; I656-L658 HydrophobicContact CG2-CD2 4.11Å; I656-F669 HydrophobicContact CD1-CB 3.9Å; I656-F669 HydrophobicContact CD1-CD1 3.38Å; I656-F669 HydrophobicContact CD1-CE1 4.03Å; I656-F669 HydrophobicContact CD1-CG 3.78Å; I656-F669 HydrophobicContact CG1-CB 4.49Å; I656-F669 HydrophobicContact CG1-CD1 4.2Å; I656-F669 HydrophobicContact CG1-CG 4.29Å; I656-F669 HydrophobicContact CG2-CB 4.43Å
657	R	96.1	Very high	93.8	Very high	49 Å²	49	44.9 Å²	44.9	19%	0.185	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.8	175.1	-175.2	174.1	-177.9	121.6	5	109.6	W604 V605 E606 D646 A649 V655 D852	W604-R657 HydrophobicContact CD2-CG 4.24Å; W604-R657 HydrophobicContact CE3-CG 3.58Å; W604-R657 HydrophobicContact CZ3-CG 4.04Å; V605-R657 WeakPolarHBondContact O-CA 3.45Å; E606-R657 HydrophobicContact CG-CB 3.99Å; E606-R657 HydrophobicContact CG-CG 3.84Å; E606-R657 WeakPolarHBondContact OE1-CD 3.5Å; E606-R657 IonicContact OE1-CZ 2.62Å; E606-R657 IonicContact OE1-NE 2.69Å; E606-R657 IonicContact OE1-NH1 2.69Å; E606-R657 PolarHBondContact OE1-NH1 2.73Å; D646-R657 HydrophobicContact CB-CB 4.45Å; D646-R657 PolarHBondContact N-O 2.76Å; A649-R657 HydrophobicContact CB-CB 3.82Å; A649-R657 HydrophobicContact CB-CG 4.43Å; V655-R657 PolarHBondContact O-N 3.3Å; R657-D852 IonicContact CZ-OD2 2.79Å; R657-D852 IonicContact NH1-OD2 3.17Å; R657-D852 IonicContact NH2-OD2 2.8Å; R657-D852 PolarHBondContact NH2-OD2 3.23Å
658	L	95.7	Very high	93.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	161.4	178.2	69.5	149.8	0	0	0	112.8	V605 I607 T644 V645 I656 P660 V668	V605-L658 PolarHBondContact N-O 3.05Å; V605-L658 PolarHBondContact O-N 3.19Å; I607-L658 HydrophobicContact CD1-CD2 4.2Å; T644-L658 WeakPolarHBondContact O-CB 3.14Å; V645-L658 HydrophobicContact CG2-CB 4.28Å; I656-L658 HydrophobicContact CG2-CD2 4.11Å; L658-P660 HydrophobicContact CD1-CB 4.21Å; L658-V668 HydrophobicContact CD1-CB 4.34Å; L658-V668 HydrophobicContact CD1-CG1 3.7Å
659	K	94.1	Very high	94	Very high	61 Å²	61	32.5 Å²	32.5	27%	0.265	16%	0.155	S	C	.	.			trans	-98.5	108.9	156.8	-63.8	-154.8	175.3	-152.5	0	107.7	M602 W604	M602-K659 PolarHBondContact O-NZ 2.99Å; W604-K659 HydrophobicContact CD2-CD 4.43Å; W604-K659 HydrophobicContact CD2-CG 3.83Å; W604-K659 HydrophobicContact CE3-CG 3.68Å; W604-K659 HydrophobicContact CG-CG 4.47Å; W604-K659 HydrophobicContact CH2-CG 4.28Å; W604-K659 HydrophobicContact CZ2-CG 4.4Å; W604-K659 HydrophobicContact CZ3-CG 3.92Å
660	P	93.5	Very high	94.2	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.032	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-66.5	153.8	-175.3	29.6	-36.7	0	0	0	111.3	R555 A597 V599 V605 L658	R555-P660 WeakPolarHBondContact CD-O 3.23Å; A597-P660 HydrophobicContact CB-CB 3.65Å; A597-P660 HydrophobicContact CB-CG 3.53Å; V599-P660 HydrophobicContact CG2-CG 4.21Å; V605-P660 HydrophobicContact CG2-CG 3.81Å; L658-P660 HydrophobicContact CD1-CB 4.21Å
661	L	93	Very high	94.2	Very high	20 Å²	20	32.6 Å²	32.6	11%	0.105	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-74	139.6	171.7	-61.4	-169.1	0	0	0	110.3	P463 A553 R555 T644 A663 C664 V666	P463-L661 HydrophobicContact CB-CD1 3.7Å; P463-L661 HydrophobicContact CG-CD1 4Å; A553-L661 HydrophobicContact CB-CD1 3.68Å; A553-L661 HydrophobicContact CB-CD2 4.48Å; R555-L661 HydrophobicContact CB-CD2 4.44Å; T644-L661 HydrophobicContact CG2-CD2 3.78Å; T644-L661 HydrophobicContact CG2-CG 4.03Å; L661-A663 PolarHBondContact O-N 2.73Å; L661-C664 HydrophobicContact CB-CB 3.78Å; L661-V666 HydrophobicContact CD1-CG2 4.19Å
662	D	91.5	Very high	94.3	Very high	66 Å²	66	29.3 Å²	29.3	35%	0.353	14%	0.137	S	C	.	.	B	Isolated β-bridge	trans	-64	123.6	-175.9	-164.6	53.4	0	0	0	111.3	R555 Y561 C664	R555-D662 HydrophobicContact CG-CB 4.42Å; R555-D662 IonicContact CZ-OD1 2.69Å; R555-D662 IonicContact NE-OD1 2.78Å; R555-D662 IonicContact NH2-OD1 2.86Å; R555-D662 PolarHBondContact NH2-OD1 2.99Å; Y561-D662 WeakPolarHBondContact CE2-OD1 3.49Å; Y561-D662 PolarHBondContact OH-OD1 3.4Å; Y561-D662 PolarHBondContact OH-OD2 2.74Å; D662-C664 PolarHBondContact O-N 2.9Å; D662-C664 VanDerWaalsContact O-N 3.08Å
663	A	91.1	Very high	94.2	Very high	22 Å²	22	21.8 Å²	21.8	18%	0.182	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	33.5	178.7	0	0	0	0	0	115.1	Y491 A597 F598 L661	Y491-A663 WeakPolarHBondContact CD2-O 3.49Å; Y491-A663 WeakPolarHBondContact CE2-O 3.32Å; A597-A663 PolarHBondContact O-N 2.75Å; A597-A663 VanDerWaalsContact O-N 3.09Å; F598-A663 HydrophobicContact CD1-CB 3.95Å; F598-A663 HydrophobicContact CE1-CB 3.7Å; L661-A663 PolarHBondContact O-N 2.73Å
664	C	92.1	Very high	94.1	Very high	6 Å²	6	19.6 Å²	19.6	4%	0.041	10%	0.096	C	C	.	.			trans	-127.3	129.2	-172.8	-160.9	0	0	0	0	111.7	P463 L596 L661 D662 V666	P463-C664 PolarHBondContact O-SG 2.99Å; L596-C664 VanDerWaalsContact CD1-C 3.43Å; L661-C664 HydrophobicContact CB-CB 3.78Å; D662-C664 PolarHBondContact O-N 2.9Å; D662-C664 VanDerWaalsContact O-N 3.08Å; C664-V666 HydrophobicContact CB-CG2 4.08Å; C664-V666 WeakPolarHBondContact SG-CG2 3.17Å
665	F	93.8	Very high	93.7	Very high	57 Å²	57	18.6 Å²	18.6	25%	0.25	9%	0.091	C	C	.	.			trans	-92.7	104	178.6	178.9	-95.1	0	0	0	109.6	H569 Y571 F594 C595 L596	H569-F665 HydrophobicContact CB-CE2 4.14Å; H569-F665 HydrophobicContact CB-CZ 4.25Å; H569-F665 AromaticContact CE1-CE2 3.95Å; H569-F665 AromaticContact CG-CE2 3.76Å; H569-F665 AromaticContact ND1-CE2 3.64Å; H569-F665 AromaticContact ND1-CZ 3.82Å; Y571-F665 HydrophobicContact CE2-CZ 4.09Å; F594-F665 HydrophobicContact CB-CD2 4.39Å; F594-F665 HydrophobicContact CB-CE1 4Å; F594-F665 HydrophobicContact CB-CE2 3.68Å; F594-F665 HydrophobicContact CB-CZ 3.44Å; F594-F665 VanDerWaalsContact CB-CZ 3.44Å; F594-F665 AromaticContact CD1-CD1 3.82Å; F594-F665 HydrophobicContact CD1-CD1 3.82Å; F594-F665 AromaticContact CD1-CE1 3.22Å; F594-F665 HydrophobicContact CD1-CE1 3.22Å; F594-F665 HydrophobicContact CD1-CE2 4.46Å; F594-F665 AromaticContact CD1-CZ 3.59Å; F594-F665 HydrophobicContact CD1-CZ 3.59Å; F594-F665 HydrophobicContact CD2-CZ 4.47Å; F594-F665 HydrophobicContact CE1-CD1 4.44Å; F594-F665 AromaticContact CE1-CE1 3.78Å; F594-F665 HydrophobicContact CE1-CE1 3.78Å; F594-F665 HydrophobicContact CE1-CZ 4.42Å; F594-F665 AromaticContact CG-CE1 3.78Å; F594-F665 HydrophobicContact CG-CE1 3.78Å; F594-F665 HydrophobicContact CG-CE2 4.35Å; F594-F665 AromaticContact CG-CZ 3.61Å; F594-F665 HydrophobicContact CG-CZ 3.61Å; C595-F665 WeakPolarHBondContact O-CA 3.34Å; L596-F665 HydrophobicContact CB-CB 4.16Å; L596-F665 HydrophobicContact CB-CD2 3.86Å; L596-F665 HydrophobicContact CD1-CB 4.28Å; L596-F665 HydrophobicContact CD2-CB 4.45Å; L596-F665 HydrophobicContact CD2-CD2 4.42Å
666	V	93.4	Very high	93.2	Very high	14 Å²	14	18.7 Å²	18.7	9%	0.085	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.2	-168.6	-176.8	0	0	0	0	110.7	P463 F594 C595 L661 C664 V668	P463-V666 HydrophobicContact CB-CG2 4.39Å; F594-V666 CarbonylContact C-O 3.58Å; F594-V666 WeakPolarHBondContact CA-O 3.32Å; C595-V666 PolarHBondContact N-O 2.99Å; C595-V666 PolarHBondContact O-N 2.69Å; L661-V666 HydrophobicContact CD1-CG2 4.19Å; C664-V666 HydrophobicContact CB-CG2 4.08Å; C664-V666 WeakPolarHBondContact SG-CG2 3.17Å; V666-V668 PolarHBondContact O-N 3.34Å
667	E	95.8	Very high	92.3	Very high	9 Å²	9	24.3 Å²	24.3	4%	0.042	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	114.6	168.9	-172.9	174.3	-176.9	0	0	108.5	F549 R592 I593 F594 H642 R670	F549-E667 HydrophobicContact CD2-CB 3.82Å; F549-E667 HydrophobicContact CD2-CG 3.59Å; F549-E667 WeakPolarHBondContact CD2-O 3.46Å; F549-E667 HydrophobicContact CE2-CG 4.05Å; F549-E667 HydrophobicContact CG-CG 4.45Å; R592-E667 HydrophobicContact CB-CG 4.47Å; R592-E667 VanDerWaalsContact CG-OE1 3.3Å; R592-E667 WeakPolarHBondContact CG-OE1 3.5Å; R592-E667 IonicContact CZ-OE1 3.15Å; R592-E667 IonicContact CZ-OE2 2.75Å; R592-E667 VanDerWaalsContact NE-CD 3.28Å; R592-E667 IonicContact NE-OE1 3.96Å; R592-E667 PolarHBondContact NE-OE1 2.86Å; R592-E667 IonicContact NE-OE2 2.83Å; R592-E667 PolarHBondContact NE-OE2 3.44Å; R592-E667 IonicContact NH2-OE1 2.71Å; R592-E667 IonicContact NH2-OE2 3.35Å; R592-E667 PolarHBondContact NH2-OE2 2.86Å; I593-E667 CarbonylContact O-C 3.53Å; F594-E667 HydrophobicContact CD1-CB 3.84Å; F594-E667 VanDerWaalsContact CD1-N 3.34Å; F594-E667 HydrophobicContact CD2-CB 4.35Å; F594-E667 HydrophobicContact CD2-CG 4.38Å; F594-E667 HydrophobicContact CE1-CB 3.65Å; F594-E667 HydrophobicContact CE1-CG 4.41Å; F594-E667 HydrophobicContact CE2-CB 4.18Å; F594-E667 HydrophobicContact CE2-CG 4.08Å; F594-E667 HydrophobicContact CG-CB 4.2Å; F594-E667 HydrophobicContact CZ-CB 3.83Å; F594-E667 HydrophobicContact CZ-CG 4.1Å; H642-E667 WeakPolarHBondContact CB-O 3.32Å; E667-R670 WeakPolarHBondContact OE1-CD 3.25Å
668	V	96.3	Very high	91.4	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-30	-173.3	-66.6	0	0	0	0	113.1	I593 C595 H642 V645 L658 V666	I593-V668 HydrophobicContact CB-CG2 4.46Å; I593-V668 HydrophobicContact CG2-CG2 4.13Å; I593-V668 WeakPolarHBondContact O-CG2 3.3Å; I593-V668 PolarHBondContact O-N 3.24Å; C595-V668 HydrophobicContact CB-CG1 3.73Å; C595-V668 HydrophobicContact CB-CG2 4.11Å; H642-V668 WeakPolarHBondContact CB-O 3.5Å; H642-V668 PolarHBondContact N-O 2.82Å; V645-V668 HydrophobicContact CG2-CB 4.23Å; V645-V668 VanDerWaalsContact CG2-O 3.29Å; V645-V668 WeakPolarHBondContact CG2-O 3.27Å; L658-V668 HydrophobicContact CD1-CB 4.34Å; L658-V668 HydrophobicContact CD1-CG1 3.7Å; V666-V668 PolarHBondContact O-N 3.34Å
669	F	97.1	Very high	90.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	140.6	-176.5	174.6	-118.9	0	0	0	109.6	I593 L609 F636 C639 E640 F641 Y650 I656 F671	I593-F669 HydrophobicContact CB-CB 4.33Å; I593-F669 HydrophobicContact CG1-CD1 4.01Å; I593-F669 PolarHBondContact N-O 2.99Å; I593-F669 PolarHBondContact O-N 3.34Å; L609-F669 HydrophobicContact CD1-CD1 4.08Å; L609-F669 HydrophobicContact CD1-CE1 3.84Å; F636-F669 HydrophobicContact CD2-CE1 4.48Å; F636-F669 HydrophobicContact CD2-CZ 4.3Å; F636-F669 HydrophobicContact CE2-CE1 4.43Å; C639-F669 HydrophobicContact CB-CE2 3.93Å; C639-F669 HydrophobicContact CB-CZ 4.34Å; E640-F669 VanDerWaalsContact O-CD2 3.29Å; E640-F669 WeakPolarHBondContact O-CD2 3.25Å; F641-F669 AromaticContact CD1-CD2 3.55Å; F641-F669 HydrophobicContact CD1-CD2 3.55Å; F641-F669 AromaticContact CD1-CE2 3.99Å; F641-F669 HydrophobicContact CD1-CE2 3.99Å; F641-F669 AromaticContact CE1-CD2 3.42Å; F641-F669 HydrophobicContact CE1-CD2 3.42Å; F641-F669 VanDerWaalsContact CE1-CD2 3.42Å; F641-F669 AromaticContact CE1-CE2 3.38Å; F641-F669 HydrophobicContact CE1-CE2 3.38Å; F641-F669 HydrophobicContact CE1-CZ 4.49Å; F641-F669 HydrophobicContact CG-CD2 4.36Å; F641-F669 HydrophobicContact CZ-CD2 4.14Å; F641-F669 AromaticContact CZ-CE2 3.7Å; F641-F669 HydrophobicContact CZ-CE2 3.7Å; Y650-F669 HydrophobicContact CE2-CE2 4.33Å; Y650-F669 HydrophobicContact CE2-CZ 4.17Å; I656-F669 HydrophobicContact CD1-CB 3.9Å; I656-F669 HydrophobicContact CD1-CD1 3.38Å; I656-F669 HydrophobicContact CD1-CE1 4.03Å; I656-F669 HydrophobicContact CD1-CG 3.78Å; I656-F669 HydrophobicContact CG1-CB 4.49Å; I656-F669 HydrophobicContact CG1-CD1 4.2Å; I656-F669 HydrophobicContact CG1-CG 4.29Å; I656-F669 HydrophobicContact CG2-CB 4.43Å; F669-F671 AromaticContact CD1-CD1 3.85Å; F669-F671 HydrophobicContact CD1-CD1 3.85Å; F669-F671 HydrophobicContact CD1-CE1 4.21Å; F669-F671 HydrophobicContact CE1-CB 4.46Å; F669-F671 AromaticContact CE1-CD1 3.24Å; F669-F671 HydrophobicContact CE1-CD1 3.24Å; F669-F671 AromaticContact CE1-CE1 3.68Å; F669-F671 HydrophobicContact CE1-CE1 3.68Å; F669-F671 HydrophobicContact CE1-CG 4.15Å; F669-F671 HydrophobicContact CZ-CB 4.15Å; F669-F671 AromaticContact CZ-CD1 3.78Å; F669-F671 HydrophobicContact CZ-CD1 3.78Å; F669-F671 HydrophobicContact CZ-CG 4.28Å
670	R	96	Very high	90.1	Very high	8 Å²	8	34.3 Å²	34.3	3%	0.03	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	149.3	173.7	67.6	-170	-164.3	-167.1	-1	111	D546 F549 V591 R592 E640 E667	D546-R670 IonicContact OD1-CZ 2.64Å; D546-R670 VanDerWaalsContact OD1-CZ 3.29Å; D546-R670 IonicContact OD1-NH1 3.8Å; D546-R670 PolarHBondContact OD1-NH1 2.78Å; D546-R670 IonicContact OD1-NH2 3.78Å; D546-R670 PolarHBondContact OD1-NH2 2.69Å; F549-R670 HydrophobicContact CE1-CG 4.19Å; F549-R670 VanDerWaalsContact CE1-CZ 3.48Å; F549-R670 HydrophobicContact CE2-CG 4.31Å; F549-R670 HydrophobicContact CZ-CG 3.87Å; V591-R670 CarbonylContact O-C 3.57Å; V591-R670 WeakPolarHBondContact O-CA 3.35Å; V591-R670 WeakPolarHBondContact O-CB 3.36Å; R592-R670 HydrophobicContact CG-CB 4.21Å; E640-R670 HydrophobicContact CB-CG 3.84Å; E640-R670 PolarHBondContact N-O 2.77Å; E640-R670 PolarHBondContact O-N 2.87Å; E640-R670 IonicContact OE1-CZ 2.75Å; E640-R670 IonicContact OE1-NE 3.17Å; E640-R670 PolarHBondContact OE1-NE 3.28Å; E640-R670 IonicContact OE1-NH2 3.8Å; E640-R670 PolarHBondContact OE1-NH2 2.86Å; E640-R670 IonicContact OE2-CZ 3.85Å; E640-R670 IonicContact OE2-NE 3.91Å; E640-R670 IonicContact OE2-NH2 3.45Å; E640-R670 PolarHBondContact OE2-NH2 2.98Å; E667-R670 WeakPolarHBondContact OE1-CD 3.25Å
671	F	95.9	Very high	89.9	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	171.3	-177	63.8	-86	0	0	0	111.1	V591 L609 F636 F669 V673 T844	V591-F671 HydrophobicContact CB-CD1 3.96Å; V591-F671 HydrophobicContact CB-CD2 4.17Å; V591-F671 HydrophobicContact CB-CE1 3.55Å; V591-F671 HydrophobicContact CB-CE2 3.75Å; V591-F671 HydrophobicContact CB-CG 4.28Å; V591-F671 HydrophobicContact CB-CZ 3.45Å; V591-F671 VanDerWaalsContact CB-CZ 3.45Å; V591-F671 HydrophobicContact CG1-CD1 4.29Å; V591-F671 HydrophobicContact CG1-CE1 3.5Å; V591-F671 VanDerWaalsContact CG1-CE1 3.5Å; V591-F671 HydrophobicContact CG1-CE2 4.33Å; V591-F671 HydrophobicContact CG1-CZ 3.54Å; V591-F671 HydrophobicContact CG2-CD2 4.31Å; V591-F671 HydrophobicContact CG2-CE1 4.32Å; V591-F671 HydrophobicContact CG2-CE2 3.66Å; V591-F671 HydrophobicContact CG2-CZ 3.69Å; V591-F671 PolarHBondContact N-O 3.4Å; V591-F671 PolarHBondContact O-N 2.75Å; L609-F671 HydrophobicContact CD1-CE1 4.08Å; F636-F671 HydrophobicContact CB-CB 4.37Å; F636-F671 HydrophobicContact CB-CD2 3.99Å; F636-F671 HydrophobicContact CB-CG 4.29Å; F636-F671 AromaticContact CD1-CD2 3.51Å; F636-F671 HydrophobicContact CD1-CD2 3.51Å; F636-F671 HydrophobicContact CD1-CE1 4.42Å; F636-F671 AromaticContact CD1-CE2 3.2Å; F636-F671 HydrophobicContact CD1-CE2 3.2Å; F636-F671 HydrophobicContact CD1-CG 4.24Å; F636-F671 AromaticContact CD1-CZ 3.7Å; F636-F671 HydrophobicContact CD1-CZ 3.7Å; F636-F671 HydrophobicContact CE1-CD2 4.16Å; F636-F671 HydrophobicContact CE1-CE1 4.23Å; F636-F671 AromaticContact CE1-CE2 3.43Å; F636-F671 HydrophobicContact CE1-CE2 3.43Å; F636-F671 VanDerWaalsContact CE1-CE2 3.43Å; F636-F671 AromaticContact CE1-CZ 3.44Å; F636-F671 HydrophobicContact CE1-CZ 3.44Å; F636-F671 VanDerWaalsContact CE1-CZ 3.44Å; F636-F671 AromaticContact CG-CD2 3.84Å; F636-F671 HydrophobicContact CG-CD2 3.84Å; F636-F671 AromaticContact CG-CE2 3.98Å; F636-F671 HydrophobicContact CG-CE2 3.98Å; F636-F671 HydrophobicContact CG-CG 4.2Å; F636-F671 HydrophobicContact CG-CZ 4.42Å; F636-F671 HydrophobicContact CZ-CE1 4.39Å; F636-F671 HydrophobicContact CZ-CE2 4.35Å; F636-F671 AromaticContact CZ-CZ 3.98Å; F636-F671 HydrophobicContact CZ-CZ 3.98Å; F669-F671 AromaticContact CD1-CD1 3.85Å; F669-F671 HydrophobicContact CD1-CD1 3.85Å; F669-F671 HydrophobicContact CD1-CE1 4.21Å; F669-F671 HydrophobicContact CE1-CB 4.46Å; F669-F671 AromaticContact CE1-CD1 3.24Å; F669-F671 HydrophobicContact CE1-CD1 3.24Å; F669-F671 AromaticContact CE1-CE1 3.68Å; F669-F671 HydrophobicContact CE1-CE1 3.68Å; F669-F671 HydrophobicContact CE1-CG 4.15Å; F669-F671 HydrophobicContact CZ-CB 4.15Å; F669-F671 AromaticContact CZ-CD1 3.78Å; F669-F671 HydrophobicContact CZ-CD1 3.78Å; F669-F671 HydrophobicContact CZ-CG 4.28Å; F671-V673 HydrophobicContact CD2-CG1 4.18Å; F671-V673 HydrophobicContact CE2-CG1 4.02Å; F671-T844 HydrophobicContact CZ-CG2 4.06Å; F671-T844 WeakPolarHBondContact CZ-OG1 3.45Å
672	R	94.7	Very high	89.7	Confident	13 Å²	13	33.8 Å²	33.8	5%	0.049	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	161.2	179.3	-54.1	-83.6	-84.2	119.7	-1	109.6	L401 E402 A589 E637 E638	L401-R672 HydrophobicContact CD1-CB 3.47Å; L401-R672 VanDerWaalsContact CD1-CB 3.47Å; L401-R672 HydrophobicContact CD1-CG 4.18Å; E402-R672 PolarHBondContact O-NH2 3.42Å; A589-R672 VanDerWaalsContact C-NH1 3.32Å; A589-R672 PolarHBondContact O-NH1 3.49Å; E637-R672 HydrophobicContact CB-CB 4.45Å; E637-R672 PolarHBondContact N-O 3.03Å; E637-R672 PolarHBondContact O-N 2.75Å; E638-R672 HydrophobicContact CB-CB 4.28Å; E638-R672 HydrophobicContact CB-CG 3.74Å; E638-R672 HydrophobicContact CG-CG 4.31Å; E638-R672 WeakPolarHBondContact OE2-CG 3.44Å; E638-R672 IonicContact OE2-NE 3.4Å
673	V	91.8	Very high	89.6	Confident	9 Å²	9	30.7 Å²	30.7	6%	0.055	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.9	167.8	-60.6	0	0	0	0	108	A589 I634 F671 P675	A589-V673 HydrophobicContact CB-CG2 3.6Å; A589-V673 PolarHBondContact O-N 3.31Å; I634-V673 HydrophobicContact CG2-CG1 3.74Å; F671-V673 HydrophobicContact CD2-CG1 4.18Å; F671-V673 HydrophobicContact CE2-CG1 4.02Å; V673-P675 VanDerWaalsContact O-CD 3.3Å; V673-P675 WeakPolarHBondContact O-CD 3.4Å
674	R	89.5	Confident	89.7	Confident	26 Å²	26	35.1 Å²	35.1	10%	0.098	16%	0.161	C	C	.	.			trans	-87.8	104.2	169	-162	-178.4	-61.6	83.2	12.8	109.4	F393 E394 D396 D397 E399 L401 E637	F393-R674 CarbonylContact C-O 3.57Å; F393-R674 WeakPolarHBondContact CA-O 3.07Å; F393-R674 VanDerWaalsContact CB-O 3.24Å; F393-R674 WeakPolarHBondContact CB-O 3.49Å; E394-R674 HydrophobicContact CB-CG 4.14Å; E394-R674 PolarHBondContact N-O 3.04Å; D396-R674 PolarHBondContact O-NH1 2.85Å; D397-R674 IonicContact OD1-CZ 3.87Å; D397-R674 IonicContact OD1-NH1 3.13Å; D397-R674 PolarHBondContact OD1-NH1 3.07Å; D397-R674 IonicContact OD1-NH2 2.68Å; E399-R674 PolarHBondContact O-NH2 3.39Å; L401-R674 HydrophobicContact CD2-CB 4.02Å; L401-R674 HydrophobicContact CD2-CG 4.12Å; E637-R674 PolarHBondContact OE1-N 2.91Å; E637-R674 IonicContact OE1-NH1 2.68Å; E637-R674 IonicContact OE2-CZ 3.77Å; E637-R674 IonicContact OE2-NH1 2.67Å; E637-R674 PolarHBondContact OE2-NH1 3.38Å; E637-R674 IonicContact OE2-NH2 3.62Å; E637-R674 PolarHBondContact OE2-NH2 2.58Å
675	P	86.2	Confident	89.7	Confident	6 Å²	6	35.5 Å²	35.5	4%	0.039	16%	0.163	C	C	.	.			trans	-68.5	160.4	177.6	-8.8	27	0	0	0	110.1	Y574 H587 A589 V673 V841	Y574-P675 HydrophobicContact CE2-CG 4.13Å; H587-P675 PolarHBondContact NE2-O 2.89Å; A589-P675 HydrophobicContact CB-CG 3.92Å; V673-P675 VanDerWaalsContact O-CD 3.3Å; V673-P675 WeakPolarHBondContact O-CD 3.4Å; P675-V841 HydrophobicContact CB-CG1 4.49Å; P675-V841 HydrophobicContact CG-CG1 4.18Å
676	P	83.8	Confident	89.8	Confident	13 Å²	13	34.8 Å²	34.8	8%	0.084	17%	0.165	C	C	.	.			trans	-72	134.7	-178.3	-6.6	21.5	0	0	0	110.5	P391 L392 H587 L678 R679	P391-P676 HydrophobicContact CB-CB 4.43Å; P391-P676 HydrophobicContact CB-CG 4.28Å; P391-P676 HydrophobicContact CG-CB 4.04Å; P391-P676 HydrophobicContact CG-CG 4.22Å; P391-P676 WeakPolarHBondContact O-CG 3.48Å; L392-P676 WeakPolarHBondContact O-CD 3.49Å; H587-P676 PolarHBondContact CE1-O 3.24Å; P676-L678 VanDerWaalsContact C-N 3.3Å; P676-L678 CarbonylContact O-C 3.57Å; P676-L678 PolarHBondContact O-N 2.92Å; P676-L678 VanDerWaalsContact O-N 3.12Å; P676-R679 VanDerWaalsContact O-CB 3.29Å; P676-R679 WeakPolarHBondContact O-CB 3.4Å; P676-R679 PolarHBondContact O-N 3.12Å
677	K	77.5	Confident	89.9	Confident	121 Å²	121	34.2 Å²	34.2	53%	0.526	16%	0.161	S	C	.	.	S	Bend	trans	-43.9	-49.3	-177.6	-75.5	173.2	175	141	0	113.9	E394 R679	E394-K677 VanDerWaalsContact CD-NZ 3.32Å; E394-K677 WeakPolarHBondContact OE1-CD 3.49Å; E394-K677 WeakPolarHBondContact OE1-CE 3.22Å; E394-K677 IonicContact OE1-NZ 3.31Å; E394-K677 PolarHBondContact OE1-NZ 3.36Å; E394-K677 WeakPolarHBondContact OE2-CE 3.46Å; E394-K677 IonicContact OE2-NZ 2.68Å; E394-K677 PolarHBondContact OE2-NZ 3.23Å; K677-R679 PolarHBondContact O-N 2.83Å
678	L	76.4	Confident	89.9	Confident	153 Å²	153	35 Å²	35	80%	0.801	17%	0.167	S	C	*	.	S	Bend	trans	-90.2	66.5	173.6	-167.6	67.2	0	0	0	111.6	L583 P676	L583-L678 HydrophobicContact CD2-CD1 4.4Å; P676-L678 VanDerWaalsContact C-N 3.3Å; P676-L678 CarbonylContact O-C 3.57Å; P676-L678 PolarHBondContact O-N 2.92Å; P676-L678 VanDerWaalsContact O-N 3.12Å
679	R	80.6	Confident	89.8	Confident	43 Å²	43	34.9 Å²	34.9	16%	0.162	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-90.2	126.5	174.6	178.5	159.3	-172.2	71.4	-0.7	111.3	P676 K677 L681 T840	P676-R679 VanDerWaalsContact O-CB 3.29Å; P676-R679 WeakPolarHBondContact O-CB 3.4Å; P676-R679 PolarHBondContact O-N 3.12Å; K677-R679 PolarHBondContact O-N 2.83Å; R679-L681 PolarHBondContact O-N 2.8Å; R679-T840 PolarHBondContact NH2-O 2.67Å
680	E	81.7	Confident	89.6	Confident	125 Å²	125	36.1 Å²	36.1	58%	0.584	17%	0.173	S	C	*	.	P	Polyproline II helix	trans	-64.7	130.3	167.5	-63.2	-153.1	100.4	0	0	111.5	R684	E680-R684 IonicContact OE1-CZ 3.81Å; E680-R684 IonicContact OE1-NH2 2.65Å; E680-R684 PolarHBondContact OE1-NH2 2.61Å
681	L	89.3	Confident	89.3	Confident	12 Å²	12	36.4 Å²	36.4	6%	0.063	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-83.4	134.9	173.2	-58.4	-179.4	0	0	0	109.8	Y574 V578 V584 R679 L683 A705 Y872	Y574-L681 HydrophobicContact CE1-CD2 4Å; V578-L681 HydrophobicContact CG1-CD1 4.13Å; V578-L681 HydrophobicContact CG2-CD1 3.71Å; V584-L681 HydrophobicContact CG2-CD1 4.11Å; V584-L681 HydrophobicContact CG2-CD2 3.72Å; V584-L681 HydrophobicContact CG2-CG 3.94Å; R679-L681 PolarHBondContact O-N 2.8Å; L681-L683 PolarHBondContact O-N 2.79Å; L681-A705 WeakPolarHBondContact O-CB 3.49Å; L681-Y872 HydrophobicContact CB-CE2 4.43Å; L681-Y872 HydrophobicContact CD1-CD2 4.48Å; L681-Y872 HydrophobicContact CD1-CE2 4.01Å; L681-Y872 HydrophobicContact CD2-CE1 4.1Å
682	P	88.7	Confident	88.9	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.013	18%	0.184	C	C	.	.	S	Bend	trans	-64.4	-25.7	176.7	26.6	-35.5	0	0	0	112.7	V704 A705 F707 F834 M836 Y870	P682-V704 WeakPolarHBondContact O-CA 3.23Å; P682-A705 PolarHBondContact O-N 2.91Å; P682-F707 HydrophobicContact CB-CB 4.18Å; P682-F707 HydrophobicContact CB-CD2 3.91Å; P682-F707 HydrophobicContact CB-CG 4.11Å; P682-F834 HydrophobicContact CG-CE2 4.15Å; P682-F834 HydrophobicContact CG-CZ 4.04Å; P682-M836 HydrophobicContact CB-CE 3.92Å; P682-M836 HydrophobicContact CB-SD 3.93Å; P682-M836 HydrophobicContact CG-CE 4.38Å; P682-M836 HydrophobicContact CG-SD 3.71Å; P682-Y870 HydrophobicContact CG-CE1 3.84Å
683	L	90.4	Very high	88.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	115	173.4	-161.5	71.2	0	0	0	108.8	L681 I685 V704 I720 L797 V832 F834 Y872	L681-L683 PolarHBondContact O-N 2.79Å; L683-I685 HydrophobicContact CD2-CD1 3.86Å; L683-I685 HydrophobicContact CD2-CG1 4.31Å; L683-I685 HydrophobicContact CG-CD1 3.87Å; L683-I685 HydrophobicContact CG-CG1 4.31Å; L683-V704 HydrophobicContact CD1-CG2 3.66Å; L683-I720 HydrophobicContact CD1-CD1 4.26Å; L683-I720 HydrophobicContact CD2-CD1 4.32Å; L683-I720 HydrophobicContact CD2-CG2 3.79Å; L683-L797 HydrophobicContact CD1-CD1 4.45Å; L683-V832 HydrophobicContact CD2-CG1 4.36Å; L683-F834 HydrophobicContact CB-CE1 3.88Å; L683-F834 HydrophobicContact CB-CE2 4.45Å; L683-F834 HydrophobicContact CB-CZ 3.79Å; L683-F834 HydrophobicContact CD2-CD1 3.86Å; L683-F834 HydrophobicContact CD2-CE1 3.9Å; L683-F834 HydrophobicContact CD2-CG 4.43Å; L683-F834 HydrophobicContact CD2-CZ 4.48Å; L683-Y872 HydrophobicContact CB-CE2 4.46Å; L683-Y872 WeakPolarHBondContact O-CE2 3.38Å
684	R	91.9	Very high	88.1	Confident	116 Å²	116	42.2 Å²	42.2	44%	0.438	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.3	172.4	-66	-178.7	-178	-174.2	1.2	108.3	E680 M703 A705	E680-R684 IonicContact OE1-CZ 3.81Å; E680-R684 IonicContact OE1-NH2 2.65Å; E680-R684 PolarHBondContact OE1-NH2 2.61Å; R684-M703 HydrophobicContact CB-CB 4.46Å; R684-M703 PolarHBondContact N-O 3.13Å; R684-M703 PolarHBondContact O-N 2.88Å; R684-A705 HydrophobicContact CG-CB 4.31Å
685	I	93.9	Very high	88.1	Confident	13 Å²	13	44.6 Å²	44.6	7%	0.067	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.6	179.1	-58	-60.5	0	0	0	108.7	L683 I700 E701 C702 I722 V832 V874	L683-I685 HydrophobicContact CD2-CD1 3.86Å; L683-I685 HydrophobicContact CD2-CG1 4.31Å; L683-I685 HydrophobicContact CG-CD1 3.87Å; L683-I685 HydrophobicContact CG-CG1 4.31Å; I685-I700 HydrophobicContact CG2-CG2 4.35Å; I685-E701 WeakPolarHBondContact CA-O 3.46Å; I685-C702 HydrophobicContact CD1-CB 3.78Å; I685-C702 VanDerWaalsContact CD1-SG 3.57Å; I685-I722 HydrophobicContact CD1-CD1 3.79Å; I685-I722 HydrophobicContact CD1-CG1 4.34Å; I685-V832 HydrophobicContact CG1-CG1 4.34Å; I685-V832 HydrophobicContact CG1-CG2 4.22Å; I685-V832 HydrophobicContact CG2-CG2 4.34Å; I685-V874 HydrophobicContact CB-CG2 4.41Å
686	S	94.5	Very high	88.4	Confident	42 Å²	42	44.4 Å²	44.4	29%	0.294	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.8	165.4	-176.4	0	0	0	0	109.1	I700 E701	S686-I700 CarbonylContact O-C 3.56Å; S686-I700 WeakPolarHBondContact O-CA 3.38Å; S686-E701 PolarHBondContact N-O 3.08Å; S686-E701 PolarHBondContact O-N 3.33Å
687	A	96.2	Very high	88.8	Confident	2 Å²	2	44 Å²	44	2%	0.017	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	122.4	-179	0	0	0	0	0	109.9	F724 I876 D877	A687-F724 HydrophobicContact CB-CD2 4.27Å; A687-F724 HydrophobicContact CB-CE2 4.22Å; A687-I876 HydrophobicContact CB-CG1 4.18Å; A687-I876 WeakPolarHBondContact O-CA 3.49Å; A687-D877 PolarHBondContact O-N 3.06Å
688	T	95.1	Very high	89.7	Confident	25 Å²	25	38.2 Å²	38.2	15%	0.153	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.7	-174.2	-48	0	0	0	0	109.9	I698 R699 D877 V879	T688-I698 WeakPolarHBondContact O-CA 3.43Å; T688-R699 PolarHBondContact N-O 3.46Å; T688-R699 PolarHBondContact O-N 2.91Å; T688-D877 CarbonylContact C-O 3.59Å; T688-D877 WeakPolarHBondContact CA-O 3.13Å; T688-D877 HydrophobicContact CG2-CB 4.37Å; T688-V879 HydrophobicContact CG2-CG2 3.71Å
689	M	94.1	Very high	90.5	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	110.9	168.2	-167.9	170.4	99.6	0	0	110.2	I691 I696 E697 I698 F724 W730 F826 D877 Y878 V879	M689-I691 HydrophobicContact CE-CD1 3.71Å; M689-I691 HydrophobicContact CE-CG1 3.9Å; M689-I696 HydrophobicContact CE-CG2 4.32Å; M689-I696 HydrophobicContact CG-CG2 3.77Å; M689-I696 HydrophobicContact SD-CG2 3.9Å; M689-E697 WeakPolarHBondContact CA-O 3.44Å; M689-I698 HydrophobicContact CB-CG1 4.42Å; M689-I698 HydrophobicContact CG-CG1 3.8Å; M689-I698 HydrophobicContact SD-CD1 4.32Å; M689-I698 HydrophobicContact SD-CG1 3.9Å; M689-F724 HydrophobicContact CB-CZ 4.22Å; M689-W730 HydrophobicContact CE-CH2 3.8Å; M689-W730 HydrophobicContact CE-CZ3 3.8Å; M689-W730 HydrophobicContact SD-CZ3 4.13Å; M689-F826 HydrophobicContact CE-CD1 4.09Å; M689-F826 HydrophobicContact CE-CE1 3.56Å; M689-F826 HydrophobicContact CE-CE2 4.24Å; M689-F826 HydrophobicContact CE-CZ 3.64Å; M689-D877 PolarHBondContact N-O 3.46Å; M689-Y878 HydrophobicContact CB-CD1 3.88Å; M689-Y878 HydrophobicContact CB-CE1 3.87Å; M689-Y878 HydrophobicContact CE-CD1 3.99Å; M689-Y878 HydrophobicContact CE-CE1 3.82Å; M689-Y878 HydrophobicContact CG-CE1 4.46Å; M689-Y878 HydrophobicContact SD-CE1 3.98Å; M689-V879 PolarHBondContact O-N 3.29Å
690	N	92.9	Very high	91.3	Very high	26 Å²	26	31 Å²	31	14%	0.139	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.6	175.3	-58.3	-32.6	0	0	0	109.3	I696 E697 V879 L884	N690-I696 WeakPolarHBondContact O-CA 3.3Å; N690-E697 HydrophobicContact CB-CB 4.26Å; N690-E697 PolarHBondContact N-O 3.43Å; N690-E697 PolarHBondContact ND2-OE2 2.76Å; N690-E697 PolarHBondContact O-N 3.14Å; N690-V879 CarbonylContact C-O 3.53Å; N690-V879 WeakPolarHBondContact CA-O 3.45Å; N690-L884 HydrophobicContact CB-CD2 3.63Å
691	I	90.6	Very high	91.9	Very high	14 Å²	14	26.9 Å²	26.9	7%	0.072	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120	176.7	-49.8	177.2	0	0	0	108.9	M689 M822 F826 V879 Q880 T881	M689-I691 HydrophobicContact CE-CD1 3.71Å; M689-I691 HydrophobicContact CE-CG1 3.9Å; I691-M822 HydrophobicContact CG2-CE 4.22Å; I691-F826 HydrophobicContact CD1-CE2 3.89Å; I691-F826 HydrophobicContact CD1-CZ 3.9Å; I691-V879 PolarHBondContact N-O 3.01Å; I691-Q880 WeakPolarHBondContact O-CA 3.41Å; I691-T881 PolarHBondContact O-N 3.03Å
692	M	86.8	Confident	92.1	Very high	42 Å²	42	26.3 Å²	26.3	21%	0.207	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	82	177.8	-176.4	-175.8	75.4	0	0	109.4	S694 K695 T881 L884	M692-S694 PolarHBondContact O-N 2.89Å; M692-K695 HydrophobicContact CE-CB 4.15Å; M692-K695 HydrophobicContact CE-CD 3.69Å; M692-K695 HydrophobicContact CE-CG 4.46Å; M692-K695 PolarHBondContact N-O 3.06Å; M692-K695 PolarHBondContact O-N 3.3Å; M692-T881 WeakPolarHBondContact CA-O 3.4Å; M692-T881 VanDerWaalsContact CB-O 3.31Å; M692-T881 WeakPolarHBondContact CB-O 3.28Å; M692-T881 VanDerWaalsContact CG-O 3.28Å; M692-T881 WeakPolarHBondContact CG-O 3.48Å; M692-L884 HydrophobicContact CB-CD1 4.23Å; M692-L884 HydrophobicContact CB-CD2 4.3Å; M692-L884 HydrophobicContact CB-CG 3.83Å; M692-L884 HydrophobicContact CE-CB 4.18Å; M692-L884 HydrophobicContact CE-CD1 3.86Å; M692-L884 HydrophobicContact CE-CG 3.85Å; M692-L884 HydrophobicContact CG-CG 4.46Å; M692-L884 HydrophobicContact SD-CB 4.14Å; M692-L884 HydrophobicContact SD-CD1 4.48Å; M692-L884 HydrophobicContact SD-CG 3.85Å; M692-L884 PolarHBondContact SD-N 2.7Å
693	G	84.1	Confident	92.1	Very high	61 Å²	61	27.9 Å²	27.9	63%	0.629	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	-118	-174	0	0	0	0	0	111.2	K695	G693-K695 VanDerWaalsContact C-N 3.32Å
694	S	86.2	Confident	91.9	Very high	43 Å²	43	28.4 Å²	28.4	30%	0.301	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-23.8	172.5	49.3	0	0	0	0	113.8	M692 E815 L816	M692-S694 PolarHBondContact O-N 2.89Å; S694-E815 PolarHBondContact OG-OE1 2.78Å; S694-L816 WeakPolarHBondContact CB-O 3.39Å; S694-L816 WeakPolarHBondContact O-CB 3.47Å; S694-L816 PolarHBondContact O-N 2.92Å
695	K	89.8	Confident	90.9	Very high	76 Å²	76	23.1 Å²	23.1	33%	0.33	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.3	-167.7	-68.2	174.8	178.3	174.7	0	111.8	M692 G693 E815 L884	M692-K695 HydrophobicContact CE-CB 4.15Å; M692-K695 HydrophobicContact CE-CD 3.69Å; M692-K695 HydrophobicContact CE-CG 4.46Å; M692-K695 PolarHBondContact N-O 3.06Å; M692-K695 PolarHBondContact O-N 3.3Å; G693-K695 VanDerWaalsContact C-N 3.32Å; K695-E815 WeakPolarHBondContact CE-OE1 3.31Å; K695-E815 WeakPolarHBondContact CE-OE2 3.29Å; K695-E815 HydrophobicContact CG-CB 4.12Å; K695-E815 HydrophobicContact CG-CG 3.89Å; K695-E815 IonicContact NZ-OE1 2.73Å; K695-E815 IonicContact NZ-OE2 2.82Å; K695-L884 HydrophobicContact CB-CD1 3.79Å
696	I	92.1	Very high	89.2	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130	-178.6	-61.4	-177.1	0	0	0	109.7	M689 N690 I698 W730 R813 F814 L816	M689-I696 HydrophobicContact CE-CG2 4.32Å; M689-I696 HydrophobicContact CG-CG2 3.77Å; M689-I696 HydrophobicContact SD-CG2 3.9Å; N690-I696 WeakPolarHBondContact O-CA 3.3Å; I696-I698 HydrophobicContact CG2-CG1 4.38Å; I696-W730 HydrophobicContact CD1-CE3 4.31Å; I696-W730 HydrophobicContact CD1-CH2 3.25Å; I696-W730 HydrophobicContact CD1-CZ2 3.73Å; I696-W730 HydrophobicContact CD1-CZ3 3.59Å; I696-R813 WeakPolarHBondContact O-CA 3.23Å; I696-F814 HydrophobicContact CB-CD1 4.49Å; I696-F814 HydrophobicContact CB-CD2 4.29Å; I696-F814 HydrophobicContact CB-CE1 4.12Å; I696-F814 HydrophobicContact CB-CE2 3.93Å; I696-F814 HydrophobicContact CB-CZ 3.83Å; I696-F814 HydrophobicContact CD1-CE2 3.85Å; I696-F814 HydrophobicContact CD1-CZ 4.1Å; I696-F814 HydrophobicContact CG1-CE2 4.33Å; I696-F814 HydrophobicContact CG2-CE1 3.81Å; I696-F814 HydrophobicContact CG2-CE2 4.23Å; I696-F814 HydrophobicContact CG2-CZ 3.62Å; I696-F814 PolarHBondContact N-O 2.93Å; I696-F814 PolarHBondContact O-N 3.23Å; I696-L816 HydrophobicContact CD1-CD1 3.77Å; I696-L816 HydrophobicContact CD1-CD2 4.48Å; I696-L816 HydrophobicContact CD1-CG 4.02Å
697	E	93.1	Very high	87.3	Confident	5 Å²	5	24 Å²	24	2%	0.023	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.2	168.1	174	177.5	-134	0	0	109.8	M689 N690 C812 R813 L884	M689-E697 WeakPolarHBondContact CA-O 3.44Å; N690-E697 HydrophobicContact CB-CB 4.26Å; N690-E697 PolarHBondContact N-O 3.43Å; N690-E697 PolarHBondContact ND2-OE2 2.76Å; N690-E697 PolarHBondContact O-N 3.14Å; E697-C812 CarbonylContact C-O 3.54Å; E697-C812 WeakPolarHBondContact CA-O 3.3Å; E697-R813 HydrophobicContact CB-CG 4.14Å; E697-R813 HydrophobicContact CG-CG 3.98Å; E697-R813 IonicContact OE1-CZ 3.04Å; E697-R813 IonicContact OE1-NE 2.74Å; E697-R813 PolarHBondContact OE1-NE 2.99Å; E697-R813 IonicContact OE1-NH2 2.65Å; E697-R813 PolarHBondContact OE1-NH2 3.42Å; E697-R813 IonicContact OE2-NH2 3.1Å; E697-L884 HydrophobicContact CB-CD2 4.16Å
698	I	95	Very high	85.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.4	166.5	-61.8	163.3	0	0	0	107.8	T688 M689 I696 I700 F724 I726 L790 F810 K811 C812 F814	T688-I698 WeakPolarHBondContact O-CA 3.43Å; M689-I698 HydrophobicContact CB-CG1 4.42Å; M689-I698 HydrophobicContact CG-CG1 3.8Å; M689-I698 HydrophobicContact SD-CD1 4.32Å; M689-I698 HydrophobicContact SD-CG1 3.9Å; I696-I698 HydrophobicContact CG2-CG1 4.38Å; I698-I700 HydrophobicContact CG2-CD1 4.45Å; I698-I700 HydrophobicContact CG2-CG1 4.2Å; I698-F724 HydrophobicContact CD1-CD1 4.01Å; I698-F724 HydrophobicContact CD1-CE1 3.64Å; I698-F724 HydrophobicContact CD1-CZ 4.37Å; I698-F724 HydrophobicContact CG1-CE1 3.89Å; I698-F724 HydrophobicContact CG1-CZ 4.12Å; I698-F724 HydrophobicContact CG2-CD1 3.96Å; I698-F724 HydrophobicContact CG2-CD2 3.91Å; I698-F724 HydrophobicContact CG2-CE1 3.83Å; I698-F724 HydrophobicContact CG2-CE2 3.75Å; I698-F724 HydrophobicContact CG2-CG 4.02Å; I698-F724 HydrophobicContact CG2-CZ 3.72Å; I698-I726 HydrophobicContact CD1-CD1 3.62Å; I698-L790 HydrophobicContact CD1-CD1 4.2Å; I698-F810 HydrophobicContact CG2-CE1 4.16Å; I698-K811 WeakPolarHBondContact O-CA 3.46Å; I698-C812 HydrophobicContact CB-CB 4.18Å; I698-C812 PolarHBondContact N-O 3.3Å; I698-C812 PolarHBondContact O-N 2.93Å; I698-F814 HydrophobicContact CD1-CE1 4.06Å
699	R	94.7	Very high	82.7	Confident	42 Å²	42	27.4 Å²	27.4	16%	0.158	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.1	179.1	-176.8	178.2	175.9	164.6	-9.8	108.4	T688 E701 L809	T688-R699 PolarHBondContact N-O 3.46Å; T688-R699 PolarHBondContact O-N 2.91Å; R699-E701 HydrophobicContact CG-CG 4.45Å; R699-E701 IonicContact CZ-OE1 2.7Å; R699-E701 IonicContact NE-OE1 3.64Å; R699-E701 PolarHBondContact NE-OE1 3.41Å; R699-E701 IonicContact NH2-OE1 2.77Å; R699-E701 PolarHBondContact NH2-OE1 2.79Å; R699-L809 HydrophobicContact CG-CD1 3.9Å
700	I	96.1	Very high	80.5	Confident	3 Å²	3	36 Å²	36	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.2	176	-50	171.3	0	0	0	108.6	I685 S686 I698 I722 F724 W792 F810	I685-I700 HydrophobicContact CG2-CG2 4.35Å; S686-I700 CarbonylContact O-C 3.56Å; S686-I700 WeakPolarHBondContact O-CA 3.38Å; I698-I700 HydrophobicContact CG2-CD1 4.45Å; I698-I700 HydrophobicContact CG2-CG1 4.2Å; I700-I722 HydrophobicContact CD1-CG2 4.4Å; I700-I722 HydrophobicContact CG2-CG2 4.15Å; I700-F724 HydrophobicContact CD1-CB 3.7Å; I700-F724 HydrophobicContact CD1-CD2 3.83Å; I700-F724 HydrophobicContact CD1-CG 4.05Å; I700-F724 HydrophobicContact CG1-CD2 4.08Å; I700-W792 HydrophobicContact CB-CE3 4.49Å; I700-W792 HydrophobicContact CB-CZ3 4.35Å; I700-W792 HydrophobicContact CG2-CE3 4.26Å; I700-W792 HydrophobicContact CG2-CZ3 4.12Å; I700-F810 HydrophobicContact CB-CB 4.21Å; I700-F810 HydrophobicContact CB-CD1 4.15Å; I700-F810 HydrophobicContact CD1-CD1 3.66Å; I700-F810 HydrophobicContact CD1-CE1 4.05Å; I700-F810 HydrophobicContact CD1-CG 4.33Å; I700-F810 HydrophobicContact CG1-CD1 3.83Å; I700-F810 HydrophobicContact CG1-CE1 4.47Å; I700-F810 PolarHBondContact N-O 2.75Å; I700-F810 PolarHBondContact O-N 2.97Å
701	E	94.4	Very high	78.3	Confident	37 Å²	37	42.7 Å²	42.7	17%	0.173	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.8	179.9	-44.9	-149.7	147.2	0	0	109.8	I685 S686 R699 T807 H808 L809	I685-E701 WeakPolarHBondContact CA-O 3.46Å; S686-E701 PolarHBondContact N-O 3.08Å; S686-E701 PolarHBondContact O-N 3.33Å; R699-E701 HydrophobicContact CG-CG 4.45Å; R699-E701 IonicContact CZ-OE1 2.7Å; R699-E701 IonicContact NE-OE1 3.64Å; R699-E701 PolarHBondContact NE-OE1 3.41Å; R699-E701 IonicContact NH2-OE1 2.77Å; R699-E701 PolarHBondContact NH2-OE1 2.79Å; E701-T807 HydrophobicContact CB-CG2 3.97Å; E701-H808 WeakPolarHBondContact CA-O 3.28Å; E701-L809 HydrophobicContact CG-CD1 3.75Å
702	C	93.1	Very high	76.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	110.3	-175.5	179	0	0	0	0	109.4	I685 I722 W792 H808	I685-C702 HydrophobicContact CD1-CB 3.78Å; I685-C702 VanDerWaalsContact CD1-SG 3.57Å; C702-I722 HydrophobicContact CB-CD1 4.22Å; C702-W792 HydrophobicContact CB-CH2 3.74Å; C702-W792 HydrophobicContact CB-CZ3 3.77Å; C702-H808 HydrophobicContact CB-CB 4.46Å; C702-H808 PolarHBondContact N-O 3.06Å; C702-H808 PolarHBondContact O-N 2.75Å
703	M	89.3	Confident	75.2	Confident	35 Å²	35	50.9 Å²	50.9	17%	0.172	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.6	-179.8	178.2	-164.9	-71.8	0	0	109.2	R684 A705 Y805 T807	R684-M703 HydrophobicContact CB-CB 4.46Å; R684-M703 PolarHBondContact N-O 3.13Å; R684-M703 PolarHBondContact O-N 2.88Å; M703-A705 PolarHBondContact O-N 3.05Å; M703-Y805 HydrophobicContact SD-CD1 4.33Å; M703-T807 VanDerWaalsContact CE-OG1 3.26Å; M703-T807 WeakPolarHBondContact CE-OG1 3.15Å
704	V	85.2	Confident	74.4	Confident	12 Å²	12	50.6 Å²	50.6	7%	0.073	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	113.7	162.6	170.2	0	0	0	0	107.8	P682 L683 L797	P682-V704 WeakPolarHBondContact O-CA 3.23Å; L683-V704 HydrophobicContact CD1-CG2 3.66Å; V704-L797 HydrophobicContact CG2-CB 3.44Å; V704-L797 VanDerWaalsContact CG2-CB 3.44Å; V704-L797 HydrophobicContact CG2-CD1 4.21Å; V704-L797 HydrophobicContact CG2-CG 4.47Å
705	A	72.4	Confident	74.1	Confident	5 Å²	5	49.1 Å²	49.1	4%	0.041	24%	0.237	C	C	.	.			trans	-63.6	147.1	166.3	0	0	0	0	0	108.5	L681 P682 R684 M703 F707	L681-A705 WeakPolarHBondContact O-CB 3.49Å; P682-A705 PolarHBondContact O-N 2.91Å; R684-A705 HydrophobicContact CG-CB 4.31Å; M703-A705 PolarHBondContact O-N 3.05Å; A705-F707 PolarHBondContact O-N 3.35Å
706	G	57.3	Low	74	Confident	22 Å²	22	46.1 Å²	46.1	23%	0.227	23%	0.225	C	C	.	.			trans	-65.7	70.6	-176.4	0	0	0	0	0	114.1	C708	G706-C708 PolarHBondContact O-N 3.34Å
707	F	55.1	Low	73.9	Confident	50 Å²	50	46 Å²	46	22%	0.219	23%	0.225	C	C	.	.			trans	-76.9	65.5	178.3	-152.9	-85.5	0	0	0	110.2	P682 A705 T840	P682-F707 HydrophobicContact CB-CB 4.18Å; P682-F707 HydrophobicContact CB-CD2 3.91Å; P682-F707 HydrophobicContact CB-CG 4.11Å; A705-F707 PolarHBondContact O-N 3.35Å; F707-T840 HydrophobicContact CD1-CG2 4.31Å; F707-T840 HydrophobicContact CE1-CG2 3.68Å; F707-T840 HydrophobicContact CZ-CG2 4.29Å
708	C	49	Very low	73.9	Confident	78 Å²	78	47.3 Å²	47.3	53%	0.527	23%	0.231	S	C	.	.			trans	-90.2	112.8	176.7	-63.6	0	0	0	0	108.9	G706 R710	G706-C708 PolarHBondContact O-N 3.34Å; C708-R710 PolarHBondContact O-N 2.86Å
709	S	46.1	Very low	73.8	Confident	22 Å²	22	50.7 Å²	50.7	15%	0.154	25%	0.248	C	C	.	.			trans	-58.5	138.2	152.8	160.6	0	0	0	0	107.2	E631 K711 A712	E631-S709 WeakPolarHBondContact OE1-CB 3.49Å; E631-S709 PolarHBondContact OE1-OG 3.24Å; S709-K711 PolarHBondContact O-N 2.85Å; S709-K711 PolarHBondContact OG-N 3.29Å; S709-A712 PolarHBondContact OG-N 2.87Å
710	R	47.1	Very low	73.9	Confident	181 Å²	181	48.8 Å²	48.8	68%	0.683	24%	0.241	S	C	*	.	S	Bend	trans	-62.2	-11.9	-177.7	-67.8	-168.3	-74	168.4	-1	113.6	D385 C708	D385-R710 IonicContact OD1-NH1 3.28Å; D385-R710 IonicContact OD2-CZ 2.86Å; D385-R710 IonicContact OD2-NH1 3.75Å; D385-R710 PolarHBondContact OD2-NH1 2.64Å; C708-R710 PolarHBondContact O-N 2.86Å
711	K	46.2	Very low	73.8	Confident	167 Å²	167	49.7 Å²	49.7	73%	0.726	25%	0.246	S	C	*	.	S	Bend	trans	-138.3	-1.1	-178.8	-61.5	-173.1	179.5	-179.2	0	115.2	S709	S709-K711 PolarHBondContact O-N 2.85Å; S709-K711 PolarHBondContact OG-N 3.29Å
712	A	51	Low	74	Confident	56 Å²	56	48 Å²	48	46%	0.463	24%	0.238	S	C	.	.	S	Bend	trans	-117.2	143	172.7	0	0	0	0	0	111.2	S709	S709-A712 PolarHBondContact OG-N 2.87Å
713	R	61.1	Low	74.1	Confident	173 Å²	173	48.5 Å²	48.5	65%	0.653	24%	0.239	S	C	*	.			trans	-50.2	143	178.8	-69.2	-175.7	177.1	-165.7	3.4	110.8	E284 V715	E284-R713 VanDerWaalsContact CB-NH1 3.32Å; E284-R713 VanDerWaalsContact O-CZ 3.29Å; E284-R713 PolarHBondContact O-NE 2.69Å; E284-R713 PolarHBondContact O-NH2 3.2Å; E284-R713 IonicContact OE2-CZ 3.51Å; E284-R713 IonicContact OE2-NH1 2.97Å; E284-R713 PolarHBondContact OE2-NH1 3.36Å; E284-R713 IonicContact OE2-NH2 2.79Å; R713-V715 PolarHBondContact O-N 2.91Å
714	Q	68	Low	74.5	Confident	55 Å²	55	46.9 Å²	46.9	26%	0.257	23%	0.231	S	C	.	.			trans	-43.8	123.1	-179.7	-173.8	178.8	2.9	0	0	111.6	P798	Q714-P798 HydrophobicContact CG-CG 4.39Å
715	V	79.9	Confident	74.9	Confident	11 Å²	11	46.9 Å²	46.9	7%	0.067	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-76.8	122.4	-172.1	-173.5	0	0	0	0	108.8	R713 M836 P837 I838 T840	R713-V715 PolarHBondContact O-N 2.91Å; V715-M836 HydrophobicContact CB-CE 3.97Å; V715-M836 HydrophobicContact CG1-CB 4.36Å; V715-M836 HydrophobicContact CG1-CE 3.73Å; V715-P837 HydrophobicContact CG1-CG 4.12Å; V715-I838 HydrophobicContact CG1-CD1 4.37Å; V715-I838 HydrophobicContact CG1-CG1 3.87Å; V715-I838 HydrophobicContact CG2-CD1 3.82Å; V715-I838 HydrophobicContact CG2-CG1 4.25Å; V715-T840 HydrophobicContact CG1-CG2 4.26Å
716	P	87.4	Confident	75.9	Confident	13 Å²	13	46.9 Å²	46.9	8%	0.084	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-73.9	144	-178.9	31.7	-36	0	0	0	111.5	E718 R796 L797 P837	P716-E718 HydrophobicContact CB-CG 3.98Å; P716-E718 HydrophobicContact CG-CG 4.09Å; P716-R796 HydrophobicContact CB-CG 3.98Å; P716-L797 CarbonylContact C-O 3.59Å; P716-L797 WeakPolarHBondContact CA-O 3.42Å; P716-P837 HydrophobicContact CG-CG 3.97Å; P716-P837 WeakPolarHBondContact O-CD 3.47Å
717	C	91	Very high	77.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.6	156.2	-62.3	0	0	0	0	107.6	I720 R796 L797 F834 T835	C717-I720 HydrophobicContact CB-CD1 3.8Å; C717-I720 HydrophobicContact CB-CG1 4.07Å; C717-R796 CarbonylContact O-C 3.55Å; C717-R796 VanDerWaalsContact O-CA 3.31Å; C717-R796 WeakPolarHBondContact O-CA 3.46Å; C717-L797 PolarHBondContact N-O 2.79Å; C717-L797 PolarHBondContact O-N 2.84Å; C717-F834 HydrophobicContact CB-CD2 3.82Å; C717-F834 HydrophobicContact CB-CE2 4.2Å; C717-F834 VanDerWaalsContact SG-CE2 3.59Å; C717-T835 WeakPolarHBondContact CA-O 3.22Å
718	E	92.4	Very high	78.9	Confident	32 Å²	32	46.9 Å²	46.9	15%	0.15	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	153.5	-177.1	-59.2	-169.9	137	0	0	110.6	P716 I720 P795 R796 T835	P716-E718 HydrophobicContact CB-CG 3.98Å; P716-E718 HydrophobicContact CG-CG 4.09Å; E718-I720 VanDerWaalsContact C-N 3.35Å; E718-I720 PolarHBondContact O-N 3.49Å; E718-P795 WeakPolarHBondContact CA-O 3.37Å; E718-R796 HydrophobicContact CG-CB 4.45Å; E718-R796 HydrophobicContact CG-CG 4.14Å; E718-R796 WeakPolarHBondContact OE1-CD 3.48Å; E718-R796 IonicContact OE1-CZ 2.77Å; E718-R796 IonicContact OE1-NE 2.66Å; E718-R796 IonicContact OE1-NH1 3.81Å; E718-R796 PolarHBondContact OE1-NH1 2.96Å; E718-T835 PolarHBondContact N-O 3.07Å; E718-T835 PolarHBondContact O-N 2.79Å; E718-T835 PolarHBondContact O-OG1 3.13Å; E718-T835 VanDerWaalsContact O-OG1 3.13Å
719	D	93.2	Very high	80.8	Confident	70 Å²	70	45.3 Å²	45.3	37%	0.374	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.5	41.2	-177.9	-61.4	-31.2	0	0	0	114.2	Y269 Q721 P795	Y269-D719 VanDerWaalsContact CE1-OD2 3.3Å; Y269-D719 WeakPolarHBondContact CE1-OD2 3.36Å; Y269-D719 PolarHBondContact OH-OD1 2.69Å; Y269-D719 PolarHBondContact OH-OD2 2.95Å; D719-Q721 PolarHBondContact O-N 2.97Å; D719-P795 PolarHBondContact N-O 2.78Å
720	I	95.5	Very high	82.9	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.1	-177.7	-49.6	170.9	0	0	0	110.2	L683 C717 E718 I722 R793 I794 L797 E833 F834	L683-I720 HydrophobicContact CD1-CD1 4.26Å; L683-I720 HydrophobicContact CD2-CD1 4.32Å; L683-I720 HydrophobicContact CD2-CG2 3.79Å; C717-I720 HydrophobicContact CB-CD1 3.8Å; C717-I720 HydrophobicContact CB-CG1 4.07Å; E718-I720 VanDerWaalsContact C-N 3.35Å; E718-I720 PolarHBondContact O-N 3.49Å; I720-I722 HydrophobicContact CG2-CG1 4.43Å; I720-R793 CarbonylContact O-C 3.6Å; I720-R793 VanDerWaalsContact O-CA 3.27Å; I720-R793 WeakPolarHBondContact O-CA 3.44Å; I720-I794 HydrophobicContact CB-CB 4.17Å; I720-I794 WeakPolarHBondContact CB-O 3.1Å; I720-I794 HydrophobicContact CD1-CB 4.39Å; I720-I794 PolarHBondContact N-O 2.89Å; I720-I794 PolarHBondContact O-N 3.09Å; I720-L797 HydrophobicContact CD1-CB 3.94Å; I720-L797 HydrophobicContact CD1-CD1 3.81Å; I720-L797 HydrophobicContact CD1-CG 3.86Å; I720-E833 CarbonylContact C-O 3.51Å; I720-E833 WeakPolarHBondContact CA-O 3.36Å; I720-F834 HydrophobicContact CB-CB 4.19Å; I720-F834 HydrophobicContact CG1-CB 3.82Å; I720-F834 HydrophobicContact CG2-CB 4.41Å
721	Q	95.9	Very high	84.9	Confident	23 Å²	23	36 Å²	36	11%	0.107	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	117.3	172.9	-174.5	178.8	-61.1	0	0	110.7	D719 R723 Y787 V791 W792 R793 V832 E833	D719-Q721 PolarHBondContact O-N 2.97Å; Q721-R723 HydrophobicContact CG-CG 4.3Å; Q721-R723 VanDerWaalsContact NE2-NH1 3.18Å; Q721-Y787 VanDerWaalsContact NE2-CZ 3.3Å; Q721-Y787 PolarHBondContact NE2-OH 2.79Å; Q721-V791 VanDerWaalsContact CD-CG1 3.47Å; Q721-V791 HydrophobicContact CG-CG1 3.41Å; Q721-V791 VanDerWaalsContact CG-CG1 3.41Å; Q721-W792 CarbonylContact C-O 3.56Å; Q721-W792 WeakPolarHBondContact CA-O 3.48Å; Q721-R793 HydrophobicContact CB-CG 4.28Å; Q721-R793 HydrophobicContact CG-CG 3.97Å; Q721-R793 VanDerWaalsContact OE1-CZ 3.23Å; Q721-V832 WeakPolarHBondContact O-CA 3.45Å; Q721-E833 PolarHBondContact N-O 2.8Å; Q721-E833 PolarHBondContact O-N 3.28Å
722	I	97.5	Very high	86.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131	173.8	-60.8	156.8	0	0	0	108.5	I685 I700 C702 I720 V791 W792 V832	I685-I722 HydrophobicContact CD1-CD1 3.79Å; I685-I722 HydrophobicContact CD1-CG1 4.34Å; I700-I722 HydrophobicContact CD1-CG2 4.4Å; I700-I722 HydrophobicContact CG2-CG2 4.15Å; C702-I722 HydrophobicContact CB-CD1 4.22Å; I720-I722 HydrophobicContact CG2-CG1 4.43Å; I722-V791 CarbonylContact O-C 3.47Å; I722-V791 WeakPolarHBondContact O-CA 3.35Å; I722-W792 HydrophobicContact CD1-CD2 4.35Å; I722-W792 HydrophobicContact CD1-CE3 3.57Å; I722-W792 HydrophobicContact CD1-CZ3 3.89Å; I722-W792 PolarHBondContact N-O 2.58Å; I722-W792 PolarHBondContact O-N 3.04Å; I722-V832 HydrophobicContact CG1-CG1 3.81Å; I722-V832 HydrophobicContact CG1-CG2 4.14Å; I722-V832 HydrophobicContact CG2-CG2 4.25Å
723	R	96.1	Very high	88.6	Confident	11 Å²	11	33 Å²	33	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	103.5	-177.5	-59.3	-169.7	-79.8	-97.5	11.3	110.5	Q721 Y787 L790 V791 C830 E831 E833	Q721-R723 HydrophobicContact CG-CG 4.3Å; Q721-R723 VanDerWaalsContact NE2-NH1 3.18Å; R723-Y787 VanDerWaalsContact CD-CE1 3.42Å; R723-L790 WeakPolarHBondContact CA-O 3.42Å; R723-V791 HydrophobicContact CG-CG1 4.36Å; R723-V791 HydrophobicContact CG-CG2 4.27Å; R723-C830 WeakPolarHBondContact O-CA 3.45Å; R723-C830 WeakPolarHBondContact O-CB 3.42Å; R723-E831 HydrophobicContact CB-CB 4.26Å; R723-E831 IonicContact CZ-OE2 3.22Å; R723-E831 PolarHBondContact N-O 3.08Å; R723-E831 IonicContact NE-OE2 2.74Å; R723-E831 PolarHBondContact NE-OE2 3.09Å; R723-E831 IonicContact NH2-OE2 2.77Å; R723-E831 PolarHBondContact NH2-OE2 3.24Å; R723-E831 PolarHBondContact O-N 3.34Å; R723-E831 VanDerWaalsContact O-N 3.08Å; R723-E833 IonicContact CZ-OE1 3.25Å; R723-E833 IonicContact CZ-OE2 3.16Å; R723-E833 IonicContact NH1-OE1 2.92Å; R723-E833 PolarHBondContact NH1-OE1 2.66Å; R723-E833 IonicContact NH1-OE2 2.89Å; R723-E833 PolarHBondContact NH1-OE2 3.14Å; R723-E833 VanDerWaalsContact NH2-CD 3.29Å; R723-E833 IonicContact NH2-OE1 2.78Å; R723-E833 PolarHBondContact NH2-OE1 3.03Å; R723-E833 IonicContact NH2-OE2 3.09Å
724	F	96.7	Very high	90	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.3	175.8	-170.3	-77.9	0	0	0	110.3	A687 M689 I698 I700 I726 S789 L790 C830 I876	A687-F724 HydrophobicContact CB-CD2 4.27Å; A687-F724 HydrophobicContact CB-CE2 4.22Å; M689-F724 HydrophobicContact CB-CZ 4.22Å; I698-F724 HydrophobicContact CD1-CD1 4.01Å; I698-F724 HydrophobicContact CD1-CE1 3.64Å; I698-F724 HydrophobicContact CD1-CZ 4.37Å; I698-F724 HydrophobicContact CG1-CE1 3.89Å; I698-F724 HydrophobicContact CG1-CZ 4.12Å; I698-F724 HydrophobicContact CG2-CD1 3.96Å; I698-F724 HydrophobicContact CG2-CD2 3.91Å; I698-F724 HydrophobicContact CG2-CE1 3.83Å; I698-F724 HydrophobicContact CG2-CE2 3.75Å; I698-F724 HydrophobicContact CG2-CG 4.02Å; I698-F724 HydrophobicContact CG2-CZ 3.72Å; I700-F724 HydrophobicContact CD1-CB 3.7Å; I700-F724 HydrophobicContact CD1-CD2 3.83Å; I700-F724 HydrophobicContact CD1-CG 4.05Å; I700-F724 HydrophobicContact CG1-CD2 4.08Å; F724-I726 HydrophobicContact CD1-CD1 4.21Å; F724-I726 HydrophobicContact CE1-CD1 4.46Å; F724-S789 CarbonylContact O-C 3.57Å; F724-S789 WeakPolarHBondContact O-CA 3.3Å; F724-S789 WeakPolarHBondContact O-CB 3.35Å; F724-L790 PolarHBondContact N-O 3.05Å; F724-L790 PolarHBondContact O-N 3.4Å; F724-C830 HydrophobicContact CD2-CB 4.44Å; F724-I876 HydrophobicContact CD2-CD1 4.13Å; F724-I876 HydrophobicContact CD2-CG1 4.42Å; F724-I876 HydrophobicContact CE2-CB 4.49Å; F724-I876 HydrophobicContact CE2-CD1 3.76Å; F724-I876 HydrophobicContact CE2-CG1 3.94Å; F724-I876 HydrophobicContact CE2-CG2 3.71Å; F724-I876 HydrophobicContact CZ-CD1 4.02Å; F724-I876 HydrophobicContact CZ-CG2 3.88Å
725	P	94.7	Very high	90.8	Very high	13 Å²	13	26.7 Å²	26.7	8%	0.084	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	144	-176	28.5	-35.4	0	0	0	112.2	I827 I876	P725-I827 HydrophobicContact CB-CB 4.06Å; P725-I827 HydrophobicContact CB-CD1 3.98Å; P725-I827 HydrophobicContact CB-CG2 4.17Å; P725-I827 HydrophobicContact CG-CB 3.91Å; P725-I827 HydrophobicContact CG-CG2 3.9Å; P725-I876 HydrophobicContact CG-CD1 3.82Å
726	I	92.2	Very high	90.9	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	15%	0.147	C	C	.	.			trans	-120.6	128.7	176.1	-65.1	-63.8	0	0	0	109.8	I698 F724 W730 F734 Y783 R788 L790	I698-I726 HydrophobicContact CD1-CD1 3.62Å; F724-I726 HydrophobicContact CD1-CD1 4.21Å; F724-I726 HydrophobicContact CE1-CD1 4.46Å; I726-W730 HydrophobicContact CG2-CB 4.08Å; I726-F734 HydrophobicContact CD1-CE2 4.17Å; I726-F734 HydrophobicContact CD1-CZ 4.25Å; I726-F734 HydrophobicContact CG1-CE2 4.3Å; I726-F734 HydrophobicContact CG2-CD2 4.06Å; I726-F734 HydrophobicContact CG2-CE2 3.81Å; I726-Y783 HydrophobicContact CB-CE2 4.25Å; I726-Y783 HydrophobicContact CG1-CD2 4.49Å; I726-R788 PolarHBondContact N-O 3.35Å; I726-L790 HydrophobicContact CD1-CD1 3.9Å; I726-L790 HydrophobicContact CD1-CD2 4.42Å; I726-L790 HydrophobicContact CD1-CG 3.83Å; I726-L790 HydrophobicContact CG1-CD1 4.28Å; I726-L790 HydrophobicContact CG1-CD2 3.97Å; I726-L790 HydrophobicContact CG1-CG 3.65Å
727	P	91.4	Very high	90.5	Very high	11 Å²	11	36.8 Å²	36.8	7%	0.071	18%	0.177	C	C	.	.			trans	-52.6	142.3	174	-28.3	36	0	0	0	113.1	A729 W730 P823 F826	P727-A729 PolarHBondContact O-N 3.49Å; P727-W730 HydrophobicContact CB-CD2 4.15Å; P727-W730 HydrophobicContact CB-CE3 4.26Å; P727-W730 HydrophobicContact CB-CG 4.48Å; P727-W730 HydrophobicContact CG-CD2 4.1Å; P727-W730 HydrophobicContact CG-CE3 3.73Å; P727-W730 HydrophobicContact CG-CH2 4.21Å; P727-W730 HydrophobicContact CG-CZ3 3.79Å; P727-W730 PolarHBondContact O-N 3.35Å; P727-P823 HydrophobicContact CB-CB 4.3Å; P727-P823 HydrophobicContact CB-CG 3.91Å; P727-P823 HydrophobicContact CG-CG 3.82Å; P727-F826 HydrophobicContact CG-CD1 3.94Å; P727-F826 HydrophobicContact CG-CE1 4Å
728	E	85.4	Confident	89.8	Confident	61 Å²	61	42.9 Å²	42.9	29%	0.285	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-59.1	-36.6	-173.4	-174.7	134.9	-126.2	0	0	112.6	W730 I731 R788	E728-W730 PolarHBondContact O-N 3.41Å; E728-I731 HydrophobicContact CB-CD1 4.2Å; E728-I731 HydrophobicContact CG-CD1 4.04Å; E728-I731 WeakPolarHBondContact O-CB 3.45Å; E728-I731 WeakPolarHBondContact O-CG1 3.34Å; E728-I731 PolarHBondContact O-N 3.2Å; E728-R788 VanDerWaalsContact CD-NH2 3.31Å; E728-R788 IonicContact OE1-CZ 3.27Å; E728-R788 IonicContact OE1-NE 3.16Å; E728-R788 IonicContact OE1-NH2 3.15Å; E728-R788 PolarHBondContact OE1-NH2 3.15Å; E728-R788 IonicContact OE2-CZ 2.64Å; E728-R788 IonicContact OE2-NH2 3.24Å; E728-R788 PolarHBondContact OE2-NH2 2.65Å
729	A	87.6	Confident	88.6	Confident	45 Å²	45	50.5 Å²	50.5	37%	0.372	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-56.6	-29.6	175.2	0	0	0	0	0	114.2	P727 Y732 M821	P727-A729 PolarHBondContact O-N 3.49Å; A729-Y732 VanDerWaalsContact O-CD1 3.3Å; A729-Y732 WeakPolarHBondContact O-CD1 3.44Å; A729-Y732 WeakPolarHBondContact O-CE1 3.43Å; A729-M821 HydrophobicContact CB-CB 4.49Å
730	W	90.5	Very high	87	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-100.3	-2.1	-174.2	-52.7	-17.5	0	0	0	113.3	M689 I696 I726 P727 E728 Y732 L733 F734 F814 L816 M821 M822 P823 F826	M689-W730 HydrophobicContact CE-CH2 3.8Å; M689-W730 HydrophobicContact CE-CZ3 3.8Å; M689-W730 HydrophobicContact SD-CZ3 4.13Å; I696-W730 HydrophobicContact CD1-CE3 4.31Å; I696-W730 HydrophobicContact CD1-CH2 3.25Å; I696-W730 HydrophobicContact CD1-CZ2 3.73Å; I696-W730 HydrophobicContact CD1-CZ3 3.59Å; I726-W730 HydrophobicContact CG2-CB 4.08Å; P727-W730 HydrophobicContact CB-CD2 4.15Å; P727-W730 HydrophobicContact CB-CE3 4.26Å; P727-W730 HydrophobicContact CB-CG 4.48Å; P727-W730 HydrophobicContact CG-CD2 4.1Å; P727-W730 HydrophobicContact CG-CE3 3.73Å; P727-W730 HydrophobicContact CG-CH2 4.21Å; P727-W730 HydrophobicContact CG-CZ3 3.79Å; P727-W730 PolarHBondContact O-N 3.35Å; E728-W730 PolarHBondContact O-N 3.41Å; W730-Y732 PolarHBondContact O-N 3.43Å; W730-Y732 VanDerWaalsContact O-N 3.13Å; W730-L733 HydrophobicContact CB-CD1 4.29Å; W730-L733 WeakPolarHBondContact O-CB 3.23Å; W730-L733 PolarHBondContact O-N 2.96Å; W730-L733 VanDerWaalsContact O-N 3.13Å; W730-F734 WeakPolarHBondContact O-CD2 3.34Å; W730-F814 HydrophobicContact CD2-CE2 4.23Å; W730-F814 HydrophobicContact CD2-CZ 4.47Å; W730-F814 AromaticContact CE3-CE2 3.94Å; W730-F814 HydrophobicContact CE3-CE2 3.94Å; W730-F814 AromaticContact CE3-CZ 3.75Å; W730-F814 HydrophobicContact CE3-CZ 3.75Å; W730-F814 HydrophobicContact CZ3-CE2 4.43Å; W730-F814 HydrophobicContact CZ3-CZ 4.1Å; W730-L816 HydrophobicContact CD2-CD2 4.33Å; W730-L816 HydrophobicContact CG-CD2 4.26Å; W730-L816 HydrophobicContact CZ2-CD1 3.86Å; W730-M821 PolarHBondContact NE1-O 3.01Å; W730-M822 HydrophobicContact CH2-SD 4.04Å; W730-M822 HydrophobicContact CZ2-CE 4.46Å; W730-M822 HydrophobicContact CZ2-SD 3.68Å; W730-P823 HydrophobicContact CZ2-CG 4.39Å; W730-F826 AromaticContact CH2-CE1 3.5Å; W730-F826 HydrophobicContact CH2-CE1 3.5Å; W730-F826 VanDerWaalsContact CH2-CE1 3.5Å; W730-F826 AromaticContact CH2-CZ 3.95Å; W730-F826 HydrophobicContact CH2-CZ 3.95Å; W730-F826 HydrophobicContact CZ2-CE1 4.23Å; W730-F826 HydrophobicContact CZ3-CE1 4.07Å
731	I	88.8	Confident	85.7	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.041	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-56	-33.8	-177.3	-71.5	175.5	0	0	0	112.1	E728 L733 F734 R735 Y783	E728-I731 HydrophobicContact CB-CD1 4.2Å; E728-I731 HydrophobicContact CG-CD1 4.04Å; E728-I731 WeakPolarHBondContact O-CB 3.45Å; E728-I731 WeakPolarHBondContact O-CG1 3.34Å; E728-I731 PolarHBondContact O-N 3.2Å; I731-L733 VanDerWaalsContact C-N 3.3Å; I731-L733 PolarHBondContact O-N 3.39Å; I731-F734 PolarHBondContact O-N 3.02Å; I731-F734 VanDerWaalsContact O-N 3.15Å; I731-R735 HydrophobicContact CG2-CG 4.48Å; I731-Y783 WeakPolarHBondContact CD1-OH 3.39Å; I731-Y783 HydrophobicContact CG1-CE2 4.21Å; I731-Y783 VanDerWaalsContact CG1-OH 3.3Å; I731-Y783 WeakPolarHBondContact CG1-OH 3.41Å; I731-Y783 HydrophobicContact CG2-CE1 3.8Å
732	Y	87.7	Confident	84.5	Confident	118 Å²	118	65.8 Å²	65.8	46%	0.463	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-65.7	-31.2	-177.4	81	-87.4	0	0	0	112.8	A729 W730 F734 R735 D820	A729-Y732 VanDerWaalsContact O-CD1 3.3Å; A729-Y732 WeakPolarHBondContact O-CD1 3.44Å; A729-Y732 WeakPolarHBondContact O-CE1 3.43Å; W730-Y732 PolarHBondContact O-N 3.43Å; W730-Y732 VanDerWaalsContact O-N 3.13Å; Y732-F734 PolarHBondContact O-N 3.19Å; Y732-F734 VanDerWaalsContact O-N 3.14Å; Y732-R735 PolarHBondContact O-N 2.68Å; Y732-D820 WeakPolarHBondContact CE1-OD1 3.39Å; Y732-D820 VanDerWaalsContact OH-CG 3.22Å; Y732-D820 PolarHBondContact OH-OD1 2.82Å; Y732-D820 PolarHBondContact OH-OD2 3.32Å
733	L	88.4	Confident	83.5	Confident	42 Å²	42	66.5 Å²	66.5	22%	0.22	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-61.2	-22.6	175.6	-62.2	173.6	0	0	0	112.6	W730 I731 L773 F814 L816	W730-L733 HydrophobicContact CB-CD1 4.29Å; W730-L733 WeakPolarHBondContact O-CB 3.23Å; W730-L733 PolarHBondContact O-N 2.96Å; W730-L733 VanDerWaalsContact O-N 3.13Å; I731-L733 VanDerWaalsContact C-N 3.3Å; I731-L733 PolarHBondContact O-N 3.39Å; L733-L773 VanDerWaalsContact O-CD2 3.29Å; L733-L773 WeakPolarHBondContact O-CD2 3.39Å; L733-F814 HydrophobicContact CD1-CD2 3.64Å; L733-F814 HydrophobicContact CD1-CE2 4.01Å; L733-F814 HydrophobicContact CD1-CG 4.4Å; L733-L816 HydrophobicContact CD1-CD2 4.1Å
734	F	90	Very high	82.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-103.5	5.8	179.2	-56.6	-80.8	0	0	0	113.6	I726 W730 I731 Y732 S744 V745 L773 M774 Y783 L790 F814	I726-F734 HydrophobicContact CD1-CE2 4.17Å; I726-F734 HydrophobicContact CD1-CZ 4.25Å; I726-F734 HydrophobicContact CG1-CE2 4.3Å; I726-F734 HydrophobicContact CG2-CD2 4.06Å; I726-F734 HydrophobicContact CG2-CE2 3.81Å; W730-F734 WeakPolarHBondContact O-CD2 3.34Å; I731-F734 PolarHBondContact O-N 3.02Å; I731-F734 VanDerWaalsContact O-N 3.15Å; Y732-F734 PolarHBondContact O-N 3.19Å; Y732-F734 VanDerWaalsContact O-N 3.14Å; F734-S744 WeakPolarHBondContact O-CA 3.38Å; F734-V745 PolarHBondContact O-N 2.71Å; F734-L773 HydrophobicContact CD1-CD2 3.53Å; F734-L773 HydrophobicContact CD1-CG 4.42Å; F734-L773 HydrophobicContact CE1-CD2 3.7Å; F734-L773 HydrophobicContact CE1-CG 4.11Å; F734-L773 HydrophobicContact CG-CD2 4.38Å; F734-M774 HydrophobicContact CD1-SD 3.92Å; F734-M774 HydrophobicContact CE1-CG 4.31Å; F734-M774 HydrophobicContact CE1-SD 4.18Å; F734-Y783 HydrophobicContact CB-CD1 4.36Å; F734-Y783 HydrophobicContact CB-CD2 4.32Å; F734-Y783 HydrophobicContact CB-CG 3.83Å; F734-L790 HydrophobicContact CD1-CD2 3.55Å; F734-L790 HydrophobicContact CD2-CD2 4.46Å; F734-L790 HydrophobicContact CE1-CD1 4Å; F734-L790 HydrophobicContact CE1-CD2 3.67Å; F734-L790 HydrophobicContact CE1-CG 4.47Å; F734-L790 HydrophobicContact CG-CD2 3.98Å; F734-L790 HydrophobicContact CZ-CD1 4.25Å; F734-L790 HydrophobicContact CZ-CD2 4.19Å; F734-F814 HydrophobicContact CZ-CD1 4.13Å; F734-F814 AromaticContact CZ-CE1 3.89Å; F734-F814 HydrophobicContact CZ-CE1 3.89Å; F734-F814 HydrophobicContact CZ-CZ 4.4Å
735	R	85.1	Confident	82.3	Confident	94 Å²	94	69 Å²	69	36%	0.355	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.9	172.1	-68.2	-177.9	-179.5	-167.8	0.6	109.8	I731 Y732 G743 H785	I731-R735 HydrophobicContact CG2-CG 4.48Å; Y732-R735 PolarHBondContact O-N 2.68Å; R735-G743 WeakPolarHBondContact CA-O 3.41Å; R735-H785 PolarHBondContact NH2-CD2 3.23Å; R735-H785 VanDerWaalsContact NH2-CD2 3.31Å; R735-H785 PolarHBondContact NH2-CE1 3.41Å; R735-H785 PolarHBondContact NH2-ND1 3.16Å; R735-H785 PolarHBondContact NH2-NE2 3.22Å
736	E	82.3	Confident	82	Confident	84 Å²	84	72.9 Å²	72.9	39%	0.393	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.7	179.5	-179	-173.7	-122.3	0	0	107.7	R738 Y742 G743 V745	E736-R738 HydrophobicContact CG-CG 4.47Å; E736-R738 IonicContact OE2-CZ 3.85Å; E736-R738 IonicContact OE2-NE 2.64Å; E736-R738 PolarHBondContact OE2-NE 3.16Å; E736-R738 IonicContact OE2-NH2 3.42Å; E736-R738 PolarHBondContact OE2-NH2 3.04Å; E736-Y742 CarbonylContact O-C 3.54Å; E736-Y742 WeakPolarHBondContact O-CA 3.29Å; E736-G743 PolarHBondContact N-O 2.84Å; E736-G743 PolarHBondContact O-N 2.84Å; E736-V745 HydrophobicContact CB-CG2 4.41Å
737	E	77.6	Confident	81.9	Confident	152 Å²	152	73.6 Å²	73.6	71%	0.71	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	137.6	174.2	-172.2	166.8	-150.7	0	0	110.3	Y742	E737-Y742 HydrophobicContact CB-CD1 4.27Å; E737-Y742 HydrophobicContact CB-CE1 4Å; E737-Y742 HydrophobicContact CG-CE1 4.15Å
738	R	76	Confident	81.6	Confident	128 Å²	128	77.8 Å²	77.8	48%	0.483	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	161.5	-179.2	-59.1	-179.5	173.2	-159.6	-4.9	109	E736 W740 G741	E736-R738 HydrophobicContact CG-CG 4.47Å; E736-R738 IonicContact OE2-CZ 3.85Å; E736-R738 IonicContact OE2-NE 2.64Å; E736-R738 PolarHBondContact OE2-NE 3.16Å; E736-R738 IonicContact OE2-NH2 3.42Å; E736-R738 PolarHBondContact OE2-NH2 3.04Å; R738-W740 PolarHBondContact O-N 2.71Å; R738-G741 WeakPolarHBondContact CA-O 3.45Å; R738-G741 WeakPolarHBondContact CB-O 3.31Å; R738-G741 PolarHBondContact N-O 2.92Å; R738-G741 PolarHBondContact O-N 3.4Å; R738-G741 VanDerWaalsContact O-O 3.07Å
739	Y	68.8	Low	81.4	Confident	193 Å²	193	79.3 Å²	79.3	76%	0.757	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-12.8	178.8	-64	-73.8	0	0	0	115.9
740	W	58.7	Low	80.4	Confident	252 Å²	252	81 Å²	81	96%	0.955	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.1	38.6	176.7	-154.6	-94.3	0	0	0	112.7	R738	R738-W740 PolarHBondContact O-N 2.71Å
741	G	67.4	Low	78.9	Confident	24 Å²	24	91.2 Å²	91.2	25%	0.247	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.7	-154.5	178	0	0	0	0	0	113.6	R738	R738-G741 WeakPolarHBondContact CA-O 3.45Å; R738-G741 WeakPolarHBondContact CB-O 3.31Å; R738-G741 PolarHBondContact N-O 2.92Å; R738-G741 PolarHBondContact O-N 3.4Å; R738-G741 VanDerWaalsContact O-O 3.07Å
742	Y	71.7	Confident	77.1	Confident	139 Å²	139	95.8 Å²	95.8	55%	0.545	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120	-171.3	-63.4	-76.8	0	0	0	113.1	E736 E737	E736-Y742 CarbonylContact O-C 3.54Å; E736-Y742 WeakPolarHBondContact O-CA 3.29Å; E737-Y742 HydrophobicContact CB-CD1 4.27Å; E737-Y742 HydrophobicContact CB-CE1 4Å; E737-Y742 HydrophobicContact CG-CE1 4.15Å
743	G	76.6	Confident	75.2	Confident	15 Å²	15	94.2 Å²	94.2	16%	0.155	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	179.4	162.5	0	0	0	0	0	112.4	R735 E736	R735-G743 WeakPolarHBondContact CA-O 3.41Å; E736-G743 PolarHBondContact N-O 2.84Å; E736-G743 PolarHBondContact O-N 2.84Å
744	S	84	Confident	72.8	Confident	33 Å²	33	101.1 Å²	101.1	23%	0.231	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144	170.3	-48.2	0	0	0	0	109.4	F734 H746 Y783	F734-S744 WeakPolarHBondContact O-CA 3.38Å; S744-H746 PolarHBondContact O-CE1 3.23Å; S744-H746 VanDerWaalsContact O-CE1 3.3Å; S744-H746 PolarHBondContact O-N 2.82Å; S744-H746 PolarHBondContact O-ND1 3.48Å; S744-Y783 VanDerWaalsContact CB-O 3.26Å; S744-Y783 WeakPolarHBondContact CB-O 3.42Å; S744-Y783 PolarHBondContact OG-O 2.61Å
745	V	84	Confident	70.7	Confident	31 Å²	31	105.5 Å²	105.5	19%	0.188	50%	0.503	C	S	.	.			trans	-63.1	135.9	172.9	-179.8	0	0	0	0	109.3	F734 E736 L773 K782	F734-V745 PolarHBondContact O-N 2.71Å; E736-V745 HydrophobicContact CB-CG2 4.41Å; V745-L773 HydrophobicContact CB-CD2 4.03Å; V745-L773 HydrophobicContact CG1-CB 4.27Å; V745-L773 HydrophobicContact CG1-CD2 3.78Å; V745-L773 HydrophobicContact CG2-CD2 4.08Å; V745-K782 WeakPolarHBondContact O-CA 3.36Å; V745-K782 WeakPolarHBondContact O-CB 3.31Å
746	H	88.4	Confident	68.9	Low	96 Å²	96	109.8 Å²	109.8	44%	0.444	52%	0.524	S	S	.	.	B	Isolated β-bridge	trans	-109.3	141.2	178.3	-69.8	61.3	0	0	0	110	S744	S744-H746 PolarHBondContact O-CE1 3.23Å; S744-H746 VanDerWaalsContact O-CE1 3.3Å; S744-H746 PolarHBondContact O-N 2.82Å; S744-H746 PolarHBondContact O-ND1 3.48Å
747	A	89.1	Confident	67	Low	19 Å²	19	110.3 Å²	110.3	16%	0.157	53%	0.53	C	S	.	.			trans	-69	138.7	178.2	0	0	0	0	0	112.2	L749 M774 V776 A781	A747-L749 PolarHBondContact O-N 2.8Å; A747-M774 WeakPolarHBondContact CA-O 3.49Å; A747-M774 HydrophobicContact CB-CB 3.64Å; A747-V776 HydrophobicContact CB-CG1 4.05Å; A747-V776 HydrophobicContact CB-CG2 4.07Å; A747-A781 HydrophobicContact CB-CB 3.92Å; A747-A781 WeakPolarHBondContact CB-O 3.39Å; A747-A781 PolarHBondContact N-O 2.79Å
748	K	85.4	Confident	66	Low	99 Å²	99	109.6 Å²	109.6	43%	0.43	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	119.8	169.4	-69	-176.5	-168.4	173	0	108.8	R750 D770 S772 M774 E775 V776	K748-R750 PolarHBondContact O-N 3.15Å; K748-D770 IonicContact NZ-OD2 2.67Å; K748-D770 PolarHBondContact NZ-OD2 2.9Å; K748-S772 WeakPolarHBondContact CD-OG 3.34Å; K748-S772 VanDerWaalsContact CG-OG 3.3Å; K748-S772 WeakPolarHBondContact CG-OG 3.34Å; K748-M774 PolarHBondContact N-O 2.89Å; K748-E775 WeakPolarHBondContact O-CA 3.48Å; K748-V776 PolarHBondContact O-N 2.84Å; K748-V776 VanDerWaalsContact O-N 3.16Å
749	L	81.3	Confident	64.5	Low	93 Å²	93	112.8 Å²	112.8	49%	0.487	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	113.8	171.6	176.7	66.3	0	0	0	109.6	A747 R751 V776	A747-L749 PolarHBondContact O-N 2.8Å; L749-R751 PolarHBondContact O-N 2.97Å; L749-V776 HydrophobicContact CB-CG2 4.25Å; L749-V776 HydrophobicContact CD1-CG2 4.01Å
750	R	67.4	Low	63.7	Low	81 Å²	81	107.1 Å²	107.1	31%	0.306	52%	0.524	S	S	.	.			trans	-72.7	120.1	175.8	-76.9	-166.9	167.5	-158.6	1.5	109.8	K748 P752 E775 V776	K748-R750 PolarHBondContact O-N 3.15Å; R750-P752 WeakPolarHBondContact O-CD 3.38Å; R750-E775 IonicContact CZ-OE1 3.65Å; R750-E775 IonicContact CZ-OE2 3.1Å; R750-E775 IonicContact NE-OE1 2.69Å; R750-E775 PolarHBondContact NE-OE1 3.31Å; R750-E775 IonicContact NE-OE2 3.32Å; R750-E775 PolarHBondContact NE-OE2 3.21Å; R750-E775 VanDerWaalsContact NE-OE2 3.09Å; R750-E775 IonicContact NH2-OE1 3.76Å; R750-E775 PolarHBondContact NH2-OE1 3.08Å; R750-E775 IonicContact NH2-OE2 3.53Å; R750-E775 PolarHBondContact NH2-OE2 3.43Å; R750-V776 PolarHBondContact N-O 2.8Å
751	R	58.4	Low	63.5	Low	215 Å²	215	104.2 Å²	104.2	81%	0.811	51%	0.513	S	S	*	.			trans	-88.2	111.9	174.2	-65.5	-178.5	-177.5	170.6	1.1	109.4	L749	L749-R751 PolarHBondContact O-N 2.97Å
752	P	50.7	Low	62.8	Low	104 Å²	104	110.1 Å²	110.1	68%	0.675	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	152.7	172.2	26.5	-33.8	0	0	0	111	R750 K754	R750-P752 WeakPolarHBondContact O-CD 3.38Å; P752-K754 PolarHBondContact O-N 2.86Å
753	G	47.1	Very low	61.9	Low	84 Å²	84	109 Å²	109	87%	0.866	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	-2.5	165.1	0	0	0	0	0	118.7
754	K	39.7	Very low	60.4	Low	188 Å²	188	111.3 Å²	111.3	82%	0.817	56%	0.563	S	S	*	*			trans	-115.8	75.2	174.9	-100.4	177.3	178.5	171.9	0	113.7	P752 K756	P752-K754 PolarHBondContact O-N 2.86Å; K754-K756 PolarHBondContact O-N 2.85Å; K754-K756 VanDerWaalsContact O-N 3.09Å
755	V	44.3	Very low	58.3	Low	91 Å²	91	116.2 Å²	116.2	55%	0.552	58%	0.584	S	S	*	*			trans	-63.2	105.2	161.7	-177.6	0	0	0	0	108.1	N757	V755-N757 PolarHBondContact O-N 3.46Å
756	K	46.9	Very low	56.2	Low	184 Å²	184	121 Å²	121	80%	0.8	61%	0.613	S	S	*	*	S	Bend	trans	-60.1	128	161.1	-79.8	-176.6	172.4	-176.7	0	107.2	K754	K754-K756 PolarHBondContact O-N 2.85Å; K754-K756 VanDerWaalsContact O-N 3.09Å
757	N	42.7	Very low	53.9	Low	95 Å²	95	124 Å²	124	51%	0.508	63%	0.627	S	S	.	*			trans	57.1	103.5	170	-51.3	-21.9	0	0	0	116.4	V755 R759 D760	V755-N757 PolarHBondContact O-N 3.46Å; N757-R759 PolarHBondContact O-N 2.93Å; N757-D760 HydrophobicContact CB-CB 4.17Å; N757-D760 VanDerWaalsContact CB-CG 3.45Å; N757-D760 VanDerWaalsContact CB-OD2 3.22Å; N757-D760 WeakPolarHBondContact CB-OD2 3.26Å; N757-D760 PolarHBondContact ND2-OD2 2.93Å; N757-D760 PolarHBondContact O-N 2.75Å
758	I	56.8	Low	51.7	Low	138 Å²	138	128.5 Å²	128.5	71%	0.708	66%	0.655	S	S	*	*	H	α-helix	trans	-57.1	-30.2	161.1	-76.1	171.4	0	0	0	111.4	D760 R761 L762	I758-D760 VanDerWaalsContact C-N 3.31Å; I758-D760 PolarHBondContact O-N 2.91Å; I758-R761 PolarHBondContact O-N 3.24Å; I758-L762 PolarHBondContact O-N 2.82Å
759	R	44.1	Very low	49.8	Very low	194 Å²	194	130.1 Å²	130.1	73%	0.732	67%	0.667	S	S	*	*	H	α-helix	trans	-53.4	-44.6	174.4	-85.4	-172.7	176.1	166	-0.4	112.9	N757 R761 L762 M763	N757-R759 PolarHBondContact O-N 2.93Å; R759-R761 VanDerWaalsContact C-N 3.3Å; R759-R761 PolarHBondContact O-N 2.76Å; R759-L762 CarbonylContact O-C 3.56Å; R759-L762 PolarHBondContact O-N 3.35Å; R759-M763 HydrophobicContact CB-SD 4.36Å; R759-M763 WeakPolarHBondContact O-CB 3.37Å; R759-M763 WeakPolarHBondContact O-CG 3.45Å; R759-M763 PolarHBondContact O-N 3.23Å
760	D	53.1	Low	48.3	Very low	74 Å²	74	131.4 Å²	131.4	40%	0.396	68%	0.675	S	S	.	*	H	α-helix	trans	-71.7	-32.1	-171.8	-55.6	-8.6	0	0	0	110.3	N757 I758	N757-D760 HydrophobicContact CB-CB 4.17Å; N757-D760 VanDerWaalsContact CB-CG 3.45Å; N757-D760 VanDerWaalsContact CB-OD2 3.22Å; N757-D760 WeakPolarHBondContact CB-OD2 3.26Å; N757-D760 PolarHBondContact ND2-OD2 2.93Å; N757-D760 PolarHBondContact O-N 2.75Å; I758-D760 VanDerWaalsContact C-N 3.31Å; I758-D760 PolarHBondContact O-N 2.91Å
761	R	53.8	Low	48	Very low	191 Å²	191	133.3 Å²	133.3	72%	0.721	70%	0.7	S	S	*	*	H	α-helix	trans	-70.4	-31.8	168.5	-172.4	177.3	-68.5	-151.1	-1.8	113.1	I758 R759	I758-R761 PolarHBondContact O-N 3.24Å; R759-R761 VanDerWaalsContact C-N 3.3Å; R759-R761 PolarHBondContact O-N 2.76Å
762	L	54	Low	48.6	Very low	149 Å²	149	123.9 Å²	123.9	78%	0.78	67%	0.668	S	S	*	*	H	α-helix	trans	-84.1	-27.4	-178.3	-140.9	84.6	0	0	0	113.6	I758 R759 G764	I758-L762 PolarHBondContact O-N 2.82Å; R759-L762 CarbonylContact O-C 3.56Å; R759-L762 PolarHBondContact O-N 3.35Å; L762-G764 VanDerWaalsContact C-N 3.34Å
763	M	52	Low	50.3	Low	115 Å²	115	120.8 Å²	120.8	57%	0.567	65%	0.645	S	S	*	*	S	Bend	trans	-85.7	0.5	-175.3	-75.8	176.1	55	0	0	114.2	R759 M765	R759-M763 HydrophobicContact CB-SD 4.36Å; R759-M763 WeakPolarHBondContact O-CB 3.37Å; R759-M763 WeakPolarHBondContact O-CG 3.45Å; R759-M763 PolarHBondContact O-N 3.23Å; M763-M765 HydrophobicContact CE-CE 4.45Å; M763-M765 HydrophobicContact CE-SD 4.3Å; M763-M765 PolarHBondContact O-N 2.71Å
764	G	45.4	Very low	52.5	Low	63 Å²	63	116.8 Å²	116.8	65%	0.649	60%	0.604	S	S	*	*			trans	66.3	5.3	179.2	0	0	0	0	0	114.9	L762 V766	L762-G764 VanDerWaalsContact C-N 3.34Å; G764-V766 VanDerWaalsContact C-N 3.27Å; G764-V766 PolarHBondContact O-N 3.01Å
765	M	39.4	Very low	54.9	Low	137 Å²	137	109.3 Å²	109.3	68%	0.675	57%	0.572	S	S	*	*			trans	-76.6	81.6	175.6	-72.2	-170.2	172.8	0	0	109.8	M763 Q767	M763-M765 HydrophobicContact CE-CE 4.45Å; M763-M765 HydrophobicContact CE-SD 4.3Å; M763-M765 PolarHBondContact O-N 2.71Å; M765-Q767 PolarHBondContact O-N 2.73Å
766	V	41.3	Very low	57.2	Low	131 Å²	131	105.1 Å²	105.1	79%	0.794	55%	0.546	S	S	*	.			trans	-66.5	83.9	163.9	-174.9	0	0	0	0	107.9	G764	G764-V766 VanDerWaalsContact C-N 3.27Å; G764-V766 PolarHBondContact O-N 3.01Å
767	Q	39.2	Very low	59.2	Low	159 Å²	159	97.6 Å²	97.6	74%	0.743	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-55.2	130.3	148.6	-71.9	-175.2	-9.3	0	0	106.1	M765 L769	M765-Q767 PolarHBondContact O-N 2.73Å; Q767-L769 PolarHBondContact O-N 2.8Å
768	P	43.2	Very low	61.5	Low	113 Å²	113	93.6 Å²	93.6	73%	0.734	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-56	131.3	172.2	25.4	-32.9	0	0	0	107.3	D770	P768-D770 PolarHBondContact O-N 3.25Å
769	L	46.1	Very low	63.1	Low	133 Å²	133	88.2 Å²	88.2	70%	0.696	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-56	120.1	168.8	-94.3	73.7	0	0	0	106.6	Q767 S771	Q767-L769 PolarHBondContact O-N 2.8Å; L769-S771 PolarHBondContact O-N 2.99Å
770	D	49.1	Very low	65.5	Low	121 Å²	121	82.2 Å²	82.2	65%	0.647	46%	0.459	S	S	*	.			trans	-37.3	103.3	167.8	-100.5	12.6	0	0	0	108.7	K748 P768 S772	K748-D770 IonicContact NZ-OD2 2.67Å; K748-D770 PolarHBondContact NZ-OD2 2.9Å; P768-D770 PolarHBondContact O-N 3.25Å; D770-S772 PolarHBondContact O-N 2.95Å
771	S	60	Low	67.5	Low	120 Å²	120	78.8 Å²	78.8	84%	0.839	44%	0.441	S	S	*	.			trans	-76.9	74.8	-173.7	57.4	0	0	0	0	108.8	L769 L773	L769-S771 PolarHBondContact O-N 2.99Å; S771-L773 PolarHBondContact O-N 3.34Å
772	S	72.2	Confident	69.4	Low	18 Å²	18	71.4 Å²	71.4	13%	0.126	41%	0.414	C	S	.	.			trans	-59.1	122.2	-176.9	-167.3	0	0	0	0	109.3	K748 D770 M774	K748-S772 WeakPolarHBondContact CD-OG 3.34Å; K748-S772 VanDerWaalsContact CG-OG 3.3Å; K748-S772 WeakPolarHBondContact CG-OG 3.34Å; D770-S772 PolarHBondContact O-N 2.95Å; S772-M774 PolarHBondContact O-N 2.96Å; S772-M774 PolarHBondContact OG-O 3.45Å
773	L	86.5	Confident	71.2	Confident	38 Å²	38	64.4 Å²	64.4	20%	0.199	38%	0.377	C	S	.	.	S	Bend	trans	-48.1	-39.5	178.5	-170.9	79	0	0	0	111.4	L733 F734 V745 S771 C812 R813 F814	L733-L773 VanDerWaalsContact O-CD2 3.29Å; L733-L773 WeakPolarHBondContact O-CD2 3.39Å; F734-L773 HydrophobicContact CD1-CD2 3.53Å; F734-L773 HydrophobicContact CD1-CG 4.42Å; F734-L773 HydrophobicContact CE1-CD2 3.7Å; F734-L773 HydrophobicContact CE1-CG 4.11Å; F734-L773 HydrophobicContact CG-CD2 4.38Å; V745-L773 HydrophobicContact CB-CD2 4.03Å; V745-L773 HydrophobicContact CG1-CB 4.27Å; V745-L773 HydrophobicContact CG1-CD2 3.78Å; V745-L773 HydrophobicContact CG2-CD2 4.08Å; S771-L773 PolarHBondContact O-N 3.34Å; L773-C812 CarbonylContact O-C 3.43Å; L773-C812 WeakPolarHBondContact O-CA 3.4Å; L773-C812 PolarHBondContact O-SG 3.12Å; L773-R813 PolarHBondContact O-N 3.18Å; L773-F814 HydrophobicContact CD1-CB 3.75Å
774	M	92.1	Very high	73	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.3	178.4	-58.8	167.1	67	0	0	110.5	F734 A747 K748 S772 A781 L790 F810 K811 C812	F734-M774 HydrophobicContact CD1-SD 3.92Å; F734-M774 HydrophobicContact CE1-CG 4.31Å; F734-M774 HydrophobicContact CE1-SD 4.18Å; A747-M774 WeakPolarHBondContact CA-O 3.49Å; A747-M774 HydrophobicContact CB-CB 3.64Å; K748-M774 PolarHBondContact N-O 2.89Å; S772-M774 PolarHBondContact O-N 2.96Å; S772-M774 PolarHBondContact OG-O 3.45Å; M774-A781 HydrophobicContact CE-CB 4.13Å; M774-L790 HydrophobicContact CE-CB 4.25Å; M774-L790 HydrophobicContact CE-CD1 4.27Å; M774-L790 HydrophobicContact CE-CD2 3.93Å; M774-L790 HydrophobicContact CE-CG 4.36Å; M774-L790 HydrophobicContact SD-CD2 4.08Å; M774-F810 HydrophobicContact CB-CE2 4.43Å; M774-F810 HydrophobicContact CE-CE2 3.67Å; M774-F810 HydrophobicContact CE-CZ 3.89Å; M774-F810 HydrophobicContact CG-CZ 4.46Å; M774-K811 CarbonylContact C-O 3.51Å; M774-K811 WeakPolarHBondContact CA-O 3.29Å; M774-C812 HydrophobicContact CG-CB 4.11Å
775	E	92	Very high	75	Confident	32 Å²	32	59.5 Å²	59.5	15%	0.15	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	141.4	178.1	-60.7	-166.7	122	0	0	110.8	K748 R750 K811	K748-E775 WeakPolarHBondContact O-CA 3.48Å; R750-E775 IonicContact CZ-OE1 3.65Å; R750-E775 IonicContact CZ-OE2 3.1Å; R750-E775 IonicContact NE-OE1 2.69Å; R750-E775 PolarHBondContact NE-OE1 3.31Å; R750-E775 IonicContact NE-OE2 3.32Å; R750-E775 PolarHBondContact NE-OE2 3.21Å; R750-E775 VanDerWaalsContact NE-OE2 3.09Å; R750-E775 IonicContact NH2-OE1 3.76Å; R750-E775 PolarHBondContact NH2-OE1 3.08Å; R750-E775 IonicContact NH2-OE2 3.53Å; R750-E775 PolarHBondContact NH2-OE2 3.43Å; E775-K811 PolarHBondContact N-O 2.95Å; E775-K811 PolarHBondContact O-N 3.25Å
776	V	92.4	Very high	77.2	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.9	176.4	-74.7	0	0	0	0	112.2	A747 K748 L749 R750 A781 W792 F810	A747-V776 HydrophobicContact CB-CG1 4.05Å; A747-V776 HydrophobicContact CB-CG2 4.07Å; K748-V776 PolarHBondContact O-N 2.84Å; K748-V776 VanDerWaalsContact O-N 3.16Å; L749-V776 HydrophobicContact CB-CG2 4.25Å; L749-V776 HydrophobicContact CD1-CG2 4.01Å; R750-V776 PolarHBondContact N-O 2.8Å; V776-A781 HydrophobicContact CG1-CB 3.66Å; V776-W792 HydrophobicContact CG1-CG 4.38Å; V776-F810 HydrophobicContact CG1-CB 4.34Å; V776-F810 HydrophobicContact CG1-CD2 3.62Å; V776-F810 HydrophobicContact CG1-CE2 4.46Å; V776-F810 HydrophobicContact CG1-CG 4.46Å
777	A	88.2	Confident	79.4	Confident	26 Å²	26	50.1 Å²	50.1	22%	0.215	28%	0.281	C	S	.	.	S	Bend	trans	-75.4	-28.9	168.8	0	0	0	0	0	113.2	L809 T893	A777-L809 WeakPolarHBondContact CB-O 3.46Å; A777-L809 PolarHBondContact N-O 3.31Å; A777-T893 HydrophobicContact CB-CG2 3.9Å
778	I	90	Very high	81.8	Confident	11 Å²	11	46 Å²	46	6%	0.056	26%	0.259	C	S	.	.	S	Bend	trans	-157.5	153.8	-175.6	-173	163.2	0	0	0	110.4	W792 I794 L797 E799 H808	I778-W792 HydrophobicContact CG2-CZ2 4.08Å; I778-W792 PolarHBondContact O-NE1 3.3Å; I778-I794 HydrophobicContact CD1-CG2 4.11Å; I778-I794 HydrophobicContact CG1-CG2 4.03Å; I778-I794 HydrophobicContact CG2-CD1 4.09Å; I778-I794 HydrophobicContact CG2-CG1 4.3Å; I778-I794 HydrophobicContact CG2-CG2 4.01Å; I778-L797 HydrophobicContact CD1-CD2 3.89Å; I778-E799 VanDerWaalsContact CD1-CD 3.44Å; I778-E799 HydrophobicContact CD1-CG 3.81Å; I778-E799 WeakPolarHBondContact CD1-OE1 3.11Å; I778-H808 HydrophobicContact CG2-CB 3.91Å
779	G	91.3	Very high	84.2	Confident	26 Å²	26	41.1 Å²	41.1	27%	0.268	23%	0.228	S	C	.	.	S	Bend	trans	76.4	-159.2	175.4	0	0	0	0	0	114.3	R793	G779-R793 CarbonylContact C-O 3.55Å; G779-R793 VanDerWaalsContact CA-O 3.22Å; G779-R793 WeakPolarHBondContact CA-O 3.45Å
780	D	93.9	Very high	86.5	Confident	68 Å²	68	35 Å²	35	36%	0.364	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.5	172.8	85.5	-82.6	0	0	0	111.2	K782 R793	D780-K782 IonicContact OD2-NZ 3.94Å; D780-K782 PolarHBondContact OD2-NZ 3.33Å; D780-R793 PolarHBondContact N-O 3.12Å; D780-R793 PolarHBondContact O-N 3.49Å
781	A	95.6	Very high	88.7	Confident	2 Å²	2	29.2 Å²	29.2	2%	0.017	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.6	171	0	0	0	0	0	111.2	A747 M774 V776 V791 W792 F810	A747-A781 HydrophobicContact CB-CB 3.92Å; A747-A781 WeakPolarHBondContact CB-O 3.39Å; A747-A781 PolarHBondContact N-O 2.79Å; M774-A781 HydrophobicContact CE-CB 4.13Å; V776-A781 HydrophobicContact CG1-CB 3.66Å; A781-V791 VanDerWaalsContact CA-O 3.31Å; A781-V791 WeakPolarHBondContact CA-O 3.43Å; A781-W792 HydrophobicContact CB-CB 3.93Å; A781-W792 HydrophobicContact CB-CG 4.17Å; A781-F810 HydrophobicContact CB-CD2 3.79Å; A781-F810 HydrophobicContact CB-CE2 3.67Å
782	K	93.4	Very high	90.5	Very high	36 Å²	36	23.6 Å²	23.6	16%	0.157	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	159.4	178.4	51.6	175.5	165	-81.6	0	109.7	V745 D780 E784 V791	V745-K782 WeakPolarHBondContact O-CA 3.36Å; V745-K782 WeakPolarHBondContact O-CB 3.31Å; D780-K782 IonicContact OD2-NZ 3.94Å; D780-K782 PolarHBondContact OD2-NZ 3.33Å; K782-E784 HydrophobicContact CD-CG 4.34Å; K782-E784 WeakPolarHBondContact CE-OE1 3.35Å; K782-E784 HydrophobicContact CG-CG 4.18Å; K782-V791 PolarHBondContact N-O 2.76Å; K782-V791 PolarHBondContact O-N 2.88Å
783	Y	92.6	Very high	91.7	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	137.4	164.9	179.7	-100.5	0	0	0	110.4	I726 I731 F734 S744 H785 S789 L790	I726-Y783 HydrophobicContact CB-CE2 4.25Å; I726-Y783 HydrophobicContact CG1-CD2 4.49Å; I731-Y783 WeakPolarHBondContact CD1-OH 3.39Å; I731-Y783 HydrophobicContact CG1-CE2 4.21Å; I731-Y783 VanDerWaalsContact CG1-OH 3.3Å; I731-Y783 WeakPolarHBondContact CG1-OH 3.41Å; I731-Y783 HydrophobicContact CG2-CE1 3.8Å; F734-Y783 HydrophobicContact CB-CD1 4.36Å; F734-Y783 HydrophobicContact CB-CD2 4.32Å; F734-Y783 HydrophobicContact CB-CG 3.83Å; S744-Y783 VanDerWaalsContact CB-O 3.26Å; S744-Y783 WeakPolarHBondContact CB-O 3.42Å; S744-Y783 PolarHBondContact OG-O 2.61Å; Y783-H785 VanDerWaalsContact CE1-CA 3.4Å; Y783-H785 HydrophobicContact CE1-CB 3.65Å; Y783-H785 AromaticContact CE1-ND1 3.88Å; Y783-H785 AromaticContact CZ-ND1 3.86Å; Y783-H785 PolarHBondContact OH-ND1 2.77Å; Y783-S789 WeakPolarHBondContact CA-O 3.47Å; Y783-S789 WeakPolarHBondContact CD2-O 3.37Å; Y783-L790 HydrophobicContact CD2-CD2 4.04Å; Y783-L790 HydrophobicContact CG-CD2 4.45Å
784	E	89.7	Confident	92.1	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.037	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	109.7	169.2	-65	-156.4	132.5	0	0	110.4	K480 K782 V786 Y787 R788 S789 V791 R793	K480-E784 IonicContact NZ-OE1 3.85Å; K480-E784 PolarHBondContact NZ-OE1 3.13Å; K782-E784 HydrophobicContact CD-CG 4.34Å; K782-E784 WeakPolarHBondContact CE-OE1 3.35Å; K782-E784 HydrophobicContact CG-CG 4.18Å; E784-V786 PolarHBondContact O-N 3.17Å; E784-V786 VanDerWaalsContact O-N 3.12Å; E784-Y787 HydrophobicContact CB-CD2 4.16Å; E784-Y787 PolarHBondContact O-N 2.87Å; E784-R788 PolarHBondContact O-N 3.24Å; E784-S789 PolarHBondContact N-O 3.21Å; E784-V791 HydrophobicContact CB-CG2 3.92Å; E784-V791 HydrophobicContact CG-CB 4.36Å; E784-V791 HydrophobicContact CG-CG2 4.17Å; E784-R793 VanDerWaalsContact CD-NH1 3.31Å; E784-R793 IonicContact OE1-NH1 3.64Å; E784-R793 PolarHBondContact OE1-NH1 2.95Å; E784-R793 IonicContact OE2-CZ 3.69Å; E784-R793 VanDerWaalsContact OE2-CZ 3.31Å; E784-R793 IonicContact OE2-NH1 2.63Å; E784-R793 PolarHBondContact OE2-NH1 2.77Å; E784-R793 IonicContact OE2-NH2 3.84Å; E784-R793 PolarHBondContact OE2-NH2 3.03Å
785	H	86.3	Confident	92	Very high	68 Å²	68	27.8 Å²	27.8	32%	0.315	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-57.8	-33.2	-169.3	-169	40.9	0	0	0	114.5	R735 Y783 Y787 R788	R735-H785 PolarHBondContact NH2-CD2 3.23Å; R735-H785 VanDerWaalsContact NH2-CD2 3.31Å; R735-H785 PolarHBondContact NH2-CE1 3.41Å; R735-H785 PolarHBondContact NH2-ND1 3.16Å; R735-H785 PolarHBondContact NH2-NE2 3.22Å; Y783-H785 VanDerWaalsContact CE1-CA 3.4Å; Y783-H785 HydrophobicContact CE1-CB 3.65Å; Y783-H785 AromaticContact CE1-ND1 3.88Å; Y783-H785 AromaticContact CZ-ND1 3.86Å; Y783-H785 PolarHBondContact OH-ND1 2.77Å; H785-Y787 VanDerWaalsContact C-N 3.26Å; H785-Y787 PolarHBondContact O-N 3.21Å; H785-R788 WeakPolarHBondContact O-CG 3.34Å; H785-R788 PolarHBondContact O-N 3Å
786	V	86.3	Confident	91.9	Very high	26 Å²	26	31 Å²	31	16%	0.158	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-63.4	-29.2	177.3	71.4	0	0	0	0	113.2	L472 K480 E784	L472-V786 HydrophobicContact CD1-CG1 3.84Å; L472-V786 HydrophobicContact CD2-CG1 3.64Å; L472-V786 HydrophobicContact CD2-CG2 4.25Å; L472-V786 HydrophobicContact CG-CG1 4.41Å; K480-V786 HydrophobicContact CB-CB 4.16Å; K480-V786 HydrophobicContact CB-CG1 4.16Å; K480-V786 HydrophobicContact CB-CG2 4.49Å; K480-V786 WeakPolarHBondContact O-CG2 3.18Å; E784-V786 PolarHBondContact O-N 3.17Å; E784-V786 VanDerWaalsContact O-N 3.12Å
787	Y	88.5	Confident	91.7	Very high	44 Å²	44	31 Å²	31	17%	0.173	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-94.1	-2.8	172.3	-69.5	-71.7	0	0	0	112.7	L472 H482 Q721 R723 E784 H785 S789 V791	L472-Y787 HydrophobicContact CD1-CE2 3.89Å; H482-Y787 AromaticContact CE1-CD1 3.91Å; H482-Y787 AromaticContact CE1-CE1 3.49Å; H482-Y787 VanDerWaalsContact CE1-CE1 3.49Å; H482-Y787 WeakPolarHBondContact CE1-CE1 3.39Å; H482-Y787 AromaticContact CE1-CZ 3.78Å; Q721-Y787 VanDerWaalsContact NE2-CZ 3.3Å; Q721-Y787 PolarHBondContact NE2-OH 2.79Å; R723-Y787 VanDerWaalsContact CD-CE1 3.42Å; E784-Y787 HydrophobicContact CB-CD2 4.16Å; E784-Y787 PolarHBondContact O-N 2.87Å; H785-Y787 VanDerWaalsContact C-N 3.26Å; H785-Y787 PolarHBondContact O-N 3.21Å; Y787-S789 WeakPolarHBondContact O-CB 3.35Å; Y787-S789 PolarHBondContact O-N 3.26Å; Y787-S789 PolarHBondContact O-OG 2.82Å; Y787-V791 HydrophobicContact CD2-CG2 3.85Å; Y787-V791 HydrophobicContact CG-CG2 4.31Å
788	R	88.1	Confident	91.5	Very high	74 Å²	74	30.9 Å²	30.9	28%	0.279	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.1	32.6	-168	-69.6	177.7	156.9	173.1	-13.3	114	I726 E728 E784 H785 H921 Y924	I726-R788 PolarHBondContact N-O 3.35Å; E728-R788 VanDerWaalsContact CD-NH2 3.31Å; E728-R788 IonicContact OE1-CZ 3.27Å; E728-R788 IonicContact OE1-NE 3.16Å; E728-R788 IonicContact OE1-NH2 3.15Å; E728-R788 PolarHBondContact OE1-NH2 3.15Å; E728-R788 IonicContact OE2-CZ 2.64Å; E728-R788 IonicContact OE2-NH2 3.24Å; E728-R788 PolarHBondContact OE2-NH2 2.65Å; E784-R788 PolarHBondContact O-N 3.24Å; H785-R788 WeakPolarHBondContact O-CG 3.34Å; H785-R788 PolarHBondContact O-N 3Å; R788-H921 PolarHBondContact NH1-O 3.32Å; R788-Y924 PolarHBondContact NH2-O 3.11Å
789	S	93.7	Very high	90.8	Very high	10 Å²	10	34.5 Å²	34.5	7%	0.07	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155	-166.4	-66.3	0	0	0	0	112.8	F724 Y783 E784 Y787	F724-S789 CarbonylContact O-C 3.57Å; F724-S789 WeakPolarHBondContact O-CA 3.3Å; F724-S789 WeakPolarHBondContact O-CB 3.35Å; Y783-S789 WeakPolarHBondContact CA-O 3.47Å; Y783-S789 WeakPolarHBondContact CD2-O 3.37Å; E784-S789 PolarHBondContact N-O 3.21Å; Y787-S789 WeakPolarHBondContact O-CB 3.35Å; Y787-S789 PolarHBondContact O-N 3.26Å; Y787-S789 PolarHBondContact O-OG 2.82Å
790	L	95.3	Very high	89.8	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	120.7	155.4	-52.1	-176.7	0	0	0	107.7	I698 R723 F724 I726 F734 M774 Y783 F810 C812	I698-L790 HydrophobicContact CD1-CD1 4.2Å; R723-L790 WeakPolarHBondContact CA-O 3.42Å; F724-L790 PolarHBondContact N-O 3.05Å; F724-L790 PolarHBondContact O-N 3.4Å; I726-L790 HydrophobicContact CD1-CD1 3.9Å; I726-L790 HydrophobicContact CD1-CD2 4.42Å; I726-L790 HydrophobicContact CD1-CG 3.83Å; I726-L790 HydrophobicContact CG1-CD1 4.28Å; I726-L790 HydrophobicContact CG1-CD2 3.97Å; I726-L790 HydrophobicContact CG1-CG 3.65Å; F734-L790 HydrophobicContact CD1-CD2 3.55Å; F734-L790 HydrophobicContact CD2-CD2 4.46Å; F734-L790 HydrophobicContact CE1-CD1 4Å; F734-L790 HydrophobicContact CE1-CD2 3.67Å; F734-L790 HydrophobicContact CE1-CG 4.47Å; F734-L790 HydrophobicContact CG-CD2 3.98Å; F734-L790 HydrophobicContact CZ-CD1 4.25Å; F734-L790 HydrophobicContact CZ-CD2 4.19Å; M774-L790 HydrophobicContact CE-CB 4.25Å; M774-L790 HydrophobicContact CE-CD1 4.27Å; M774-L790 HydrophobicContact CE-CD2 3.93Å; M774-L790 HydrophobicContact CE-CG 4.36Å; M774-L790 HydrophobicContact SD-CD2 4.08Å; Y783-L790 HydrophobicContact CD2-CD2 4.04Å; Y783-L790 HydrophobicContact CG-CD2 4.45Å; L790-F810 HydrophobicContact CB-CZ 4.37Å; L790-F810 HydrophobicContact CD1-CE1 4.26Å; L790-F810 HydrophobicContact CD1-CZ 3.77Å; L790-C812 HydrophobicContact CD1-CB 4.1Å
791	V	95.6	Very high	88.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.5	-176.8	-173.6	0	0	0	0	108.6	Q721 I722 R723 A781 K782 E784 Y787 R793	Q721-V791 VanDerWaalsContact CD-CG1 3.47Å; Q721-V791 HydrophobicContact CG-CG1 3.41Å; Q721-V791 VanDerWaalsContact CG-CG1 3.41Å; I722-V791 CarbonylContact O-C 3.47Å; I722-V791 WeakPolarHBondContact O-CA 3.35Å; R723-V791 HydrophobicContact CG-CG1 4.36Å; R723-V791 HydrophobicContact CG-CG2 4.27Å; A781-V791 VanDerWaalsContact CA-O 3.31Å; A781-V791 WeakPolarHBondContact CA-O 3.43Å; K782-V791 PolarHBondContact N-O 2.76Å; K782-V791 PolarHBondContact O-N 2.88Å; E784-V791 HydrophobicContact CB-CG2 3.92Å; E784-V791 HydrophobicContact CG-CB 4.36Å; E784-V791 HydrophobicContact CG-CG2 4.17Å; Y787-V791 HydrophobicContact CD2-CG2 3.85Å; Y787-V791 HydrophobicContact CG-CG2 4.31Å; V791-R793 HydrophobicContact CG1-CG 4.23Å
792	W	97.3	Very high	87	Confident	3 Å²	3	44.5 Å²	44.5	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.2	174.6	-179.6	24.7	0	0	0	109.2	I700 C702 Q721 I722 V776 I778 A781 I794 H808 F810	I700-W792 HydrophobicContact CB-CE3 4.49Å; I700-W792 HydrophobicContact CB-CZ3 4.35Å; I700-W792 HydrophobicContact CG2-CE3 4.26Å; I700-W792 HydrophobicContact CG2-CZ3 4.12Å; C702-W792 HydrophobicContact CB-CH2 3.74Å; C702-W792 HydrophobicContact CB-CZ3 3.77Å; Q721-W792 CarbonylContact C-O 3.56Å; Q721-W792 WeakPolarHBondContact CA-O 3.48Å; I722-W792 HydrophobicContact CD1-CD2 4.35Å; I722-W792 HydrophobicContact CD1-CE3 3.57Å; I722-W792 HydrophobicContact CD1-CZ3 3.89Å; I722-W792 PolarHBondContact N-O 2.58Å; I722-W792 PolarHBondContact O-N 3.04Å; V776-W792 HydrophobicContact CG1-CG 4.38Å; I778-W792 HydrophobicContact CG2-CZ2 4.08Å; I778-W792 PolarHBondContact O-NE1 3.3Å; A781-W792 HydrophobicContact CB-CB 3.93Å; A781-W792 HydrophobicContact CB-CG 4.17Å; W792-I794 HydrophobicContact CD2-CD1 4.25Å; W792-I794 HydrophobicContact CD2-CG1 4.39Å; W792-I794 HydrophobicContact CH2-CD1 4.06Å; W792-I794 HydrophobicContact CZ2-CD1 3.59Å; W792-I794 HydrophobicContact CZ2-CG1 4.2Å; W792-H808 HydrophobicContact CH2-CB 4.16Å; W792-H808 HydrophobicContact CZ2-CB 4.34Å; W792-F810 HydrophobicContact CB-CD2 4.4Å; W792-F810 HydrophobicContact CD2-CB 3.77Å; W792-F810 HydrophobicContact CD2-CG 4.47Å; W792-F810 HydrophobicContact CE3-CB 3.49Å; W792-F810 VanDerWaalsContact CE3-CB 3.49Å; W792-F810 HydrophobicContact CE3-CG 4.34Å; W792-F810 HydrophobicContact CG-CB 4.47Å; W792-F810 HydrophobicContact CG-CD2 4.36Å; W792-F810 HydrophobicContact CH2-CB 4.05Å; W792-F810 HydrophobicContact CZ2-CB 4.29Å; W792-F810 HydrophobicContact CZ3-CB 3.64Å
793	R	96.3	Very high	85.6	Confident	53 Å²	53	50.5 Å²	50.5	20%	0.2	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.2	-179.4	-68.6	-177.8	176.2	104.1	-0.2	110.9	I720 Q721 G779 D780 E784 V791	I720-R793 CarbonylContact O-C 3.6Å; I720-R793 VanDerWaalsContact O-CA 3.27Å; I720-R793 WeakPolarHBondContact O-CA 3.44Å; Q721-R793 HydrophobicContact CB-CG 4.28Å; Q721-R793 HydrophobicContact CG-CG 3.97Å; Q721-R793 VanDerWaalsContact OE1-CZ 3.23Å; G779-R793 CarbonylContact C-O 3.55Å; G779-R793 VanDerWaalsContact CA-O 3.22Å; G779-R793 WeakPolarHBondContact CA-O 3.45Å; D780-R793 PolarHBondContact N-O 3.12Å; D780-R793 PolarHBondContact O-N 3.49Å; E784-R793 VanDerWaalsContact CD-NH1 3.31Å; E784-R793 IonicContact OE1-NH1 3.64Å; E784-R793 PolarHBondContact OE1-NH1 2.95Å; E784-R793 IonicContact OE2-CZ 3.69Å; E784-R793 VanDerWaalsContact OE2-CZ 3.31Å; E784-R793 IonicContact OE2-NH1 2.63Å; E784-R793 PolarHBondContact OE2-NH1 2.77Å; E784-R793 IonicContact OE2-NH2 3.84Å; E784-R793 PolarHBondContact OE2-NH2 3.03Å; V791-R793 HydrophobicContact CG1-CG 4.23Å
794	I	94.7	Very high	84.4	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	112.3	178.2	-44.8	173.5	0	0	0	107.2	I720 I778 W792 R796 L797	I720-I794 HydrophobicContact CB-CB 4.17Å; I720-I794 WeakPolarHBondContact CB-O 3.1Å; I720-I794 HydrophobicContact CD1-CB 4.39Å; I720-I794 PolarHBondContact N-O 2.89Å; I720-I794 PolarHBondContact O-N 3.09Å; I778-I794 HydrophobicContact CD1-CG2 4.11Å; I778-I794 HydrophobicContact CG1-CG2 4.03Å; I778-I794 HydrophobicContact CG2-CD1 4.09Å; I778-I794 HydrophobicContact CG2-CG1 4.3Å; I778-I794 HydrophobicContact CG2-CG2 4.01Å; W792-I794 HydrophobicContact CD2-CD1 4.25Å; W792-I794 HydrophobicContact CD2-CG1 4.39Å; W792-I794 HydrophobicContact CH2-CD1 4.06Å; W792-I794 HydrophobicContact CZ2-CD1 3.59Å; W792-I794 HydrophobicContact CZ2-CG1 4.2Å; I794-R796 VanDerWaalsContact C-N 3.26Å; I794-R796 PolarHBondContact O-N 2.77Å; I794-L797 HydrophobicContact CD1-CD1 3.98Å; I794-L797 HydrophobicContact CG2-CD1 4.19Å; I794-L797 HydrophobicContact CG2-CD2 3.96Å; I794-L797 HydrophobicContact CG2-CG 3.75Å
795	P	92	Very high	83.5	Confident	89 Å²	89	59.2 Å²	59.2	58%	0.578	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59	-36.1	-172.7	-27.2	35.1	0	0	0	113.9	E718 D719	E718-P795 WeakPolarHBondContact CA-O 3.37Å; D719-P795 PolarHBondContact N-O 2.78Å
796	R	89.6	Confident	83.3	Confident	100 Å²	100	59.5 Å²	59.5	38%	0.377	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	140.1	-178.2	178.6	168.7	172.2	143.8	-5.3	111.5	P716 C717 E718 I794	P716-R796 HydrophobicContact CB-CG 3.98Å; C717-R796 CarbonylContact O-C 3.55Å; C717-R796 VanDerWaalsContact O-CA 3.31Å; C717-R796 WeakPolarHBondContact O-CA 3.46Å; E718-R796 HydrophobicContact CG-CB 4.45Å; E718-R796 HydrophobicContact CG-CG 4.14Å; E718-R796 WeakPolarHBondContact OE1-CD 3.48Å; E718-R796 IonicContact OE1-CZ 2.77Å; E718-R796 IonicContact OE1-NE 2.66Å; E718-R796 IonicContact OE1-NH1 3.81Å; E718-R796 PolarHBondContact OE1-NH1 2.96Å; I794-R796 VanDerWaalsContact C-N 3.26Å; I794-R796 PolarHBondContact O-N 2.77Å
797	L	87.7	Confident	83.4	Confident	1 Å²	1	59 Å²	59	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143	163.9	-68	176.7	0	0	0	110.8	L683 V704 P716 C717 I720 I778 I794	L683-L797 HydrophobicContact CD1-CD1 4.45Å; V704-L797 HydrophobicContact CG2-CB 3.44Å; V704-L797 VanDerWaalsContact CG2-CB 3.44Å; V704-L797 HydrophobicContact CG2-CD1 4.21Å; V704-L797 HydrophobicContact CG2-CG 4.47Å; P716-L797 CarbonylContact C-O 3.59Å; P716-L797 WeakPolarHBondContact CA-O 3.42Å; C717-L797 PolarHBondContact N-O 2.79Å; C717-L797 PolarHBondContact O-N 2.84Å; I720-L797 HydrophobicContact CD1-CB 3.94Å; I720-L797 HydrophobicContact CD1-CD1 3.81Å; I720-L797 HydrophobicContact CD1-CG 3.86Å; I778-L797 HydrophobicContact CD1-CD2 3.89Å; I794-L797 HydrophobicContact CD1-CD1 3.98Å; I794-L797 HydrophobicContact CG2-CD1 4.19Å; I794-L797 HydrophobicContact CG2-CD2 3.96Å; I794-L797 HydrophobicContact CG2-CG 3.75Å
798	P	82.8	Confident	83.5	Confident	23 Å²	23	57.3 Å²	57.3	15%	0.149	28%	0.283	C	S	.	.	S	Bend	cis	-69.1	156.3	-11.7	33.2	-37.7	0	0	0	111.4	Q714 H802	Q714-P798 HydrophobicContact CG-CG 4.39Å; P798-H802 HydrophobicContact CB-CB 4.27Å
799	E	76.3	Confident	83.7	Confident	87 Å²	87	53.9 Å²	53.9	41%	0.407	27%	0.27	S	S	.	.			trans	-74.9	160.1	163.7	-63.1	-164.7	144.8	0	0	110.3	I778 S801 H802	I778-E799 VanDerWaalsContact CD1-CD 3.44Å; I778-E799 HydrophobicContact CD1-CG 3.81Å; I778-E799 WeakPolarHBondContact CD1-OE1 3.11Å; E799-S801 PolarHBondContact O-N 2.81Å; E799-H802 PolarHBondContact O-N 3.35Å; E799-H802 VanDerWaalsContact O-N 3.12Å; E799-H802 IonicContact OE2-CE1 2.65Å; E799-H802 IonicContact OE2-NE2 3.59Å
800	K	70.1	Confident	83.8	Confident	165 Å²	165	53.5 Å²	53.5	72%	0.717	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-12.5	-177	-75.5	-164	171.3	-161.5	0	115	E284	E284-K800 IonicContact OE1-NZ 3.53Å; E284-K800 PolarHBondContact OE1-NZ 2.92Å; E284-K800 IonicContact OE2-NZ 3.59Å
801	S	63.3	Low	83.7	Confident	103 Å²	103	54.8 Å²	54.8	72%	0.72	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	22.9	-176.6	56.2	0	0	0	0	113.2	E799	E799-S801 PolarHBondContact O-N 2.81Å
802	H	68.6	Low	83.7	Confident	39 Å²	39	54.8 Å²	54.8	18%	0.181	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-103.3	136.6	176	-76	178	0	0	0	112.4	P798 E799 K806 H808	P798-H802 HydrophobicContact CB-CB 4.27Å; E799-H802 PolarHBondContact O-N 3.35Å; E799-H802 VanDerWaalsContact O-N 3.12Å; E799-H802 IonicContact OE2-CE1 2.65Å; E799-H802 IonicContact OE2-NE2 3.59Å; H802-K806 HydrophobicContact CB-CD 4.16Å; H802-K806 PolarHBondContact CD2-NZ 3.45Å; H802-K806 PolarHBondContact NE2-NZ 2.73Å; H802-H808 AromaticContact CE1-CE1 3.15Å; H802-H808 PolarHBondContact CE1-CE1 2.91Å; H802-H808 AromaticContact CE1-NE2 3.43Å; H802-H808 PolarHBondContact CE1-NE2 2.98Å; H802-H808 AromaticContact ND1-CE1 3.41Å; H802-H808 PolarHBondContact ND1-CE1 2.97Å; H802-H808 AromaticContact ND1-NE2 3.19Å; H802-H808 PolarHBondContact ND1-NE2 3.24Å; H802-H808 VanDerWaalsContact ND1-NE2 3.19Å; H802-H808 AromaticContact NE2-CE1 3.94Å
803	E	64	Low	83.4	Confident	162 Å²	162	59.3 Å²	59.3	76%	0.757	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-62.7	151.2	167.8	-69.1	158.6	-164.2	0	0	110.6	K806	E803-K806 WeakPolarHBondContact O-CB 3.24Å
804	A	65.8	Low	83.2	Confident	58 Å²	58	57.7 Å²	57.7	48%	0.479	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	149.6	174.8	0	0	0	0	0	110.9	K806	A804-K806 PolarHBondContact O-N 3.29Å
805	Y	72.1	Confident	83	Confident	133 Å²	133	62.5 Å²	62.5	52%	0.522	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	12.5	-179	-51.6	-90	0	0	0	115.7	M703 T807	M703-Y805 HydrophobicContact SD-CD1 4.33Å; Y805-T807 PolarHBondContact O-N 2.8Å; Y805-T807 VanDerWaalsContact O-N 3.12Å
806	K	82.3	Confident	82.9	Confident	75 Å²	75	59 Å²	59	33%	0.326	28%	0.283	S	S	.	.			trans	-59.4	115.1	174.8	-176.2	177.8	-177.5	-180	0	111.2	H802 E803 A804	H802-K806 HydrophobicContact CB-CD 4.16Å; H802-K806 PolarHBondContact CD2-NZ 3.45Å; H802-K806 PolarHBondContact NE2-NZ 2.73Å; E803-K806 WeakPolarHBondContact O-CB 3.24Å; A804-K806 PolarHBondContact O-N 3.29Å
807	T	87.5	Confident	82.8	Confident	15 Å²	15	57.7 Å²	57.7	9%	0.092	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.7	171.3	-52.9	0	0	0	0	110.4	E701 M703 Y805	E701-T807 HydrophobicContact CB-CG2 3.97Å; M703-T807 VanDerWaalsContact CE-OG1 3.26Å; M703-T807 WeakPolarHBondContact CE-OG1 3.15Å; Y805-T807 PolarHBondContact O-N 2.8Å; Y805-T807 VanDerWaalsContact O-N 3.12Å
808	H	90.7	Very high	82.7	Confident	9 Å²	9	63.1 Å²	63.1	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	145.3	168.9	-69	-65.1	0	0	0	110.4	E701 C702 I778 W792 H802	E701-H808 WeakPolarHBondContact CA-O 3.28Å; C702-H808 HydrophobicContact CB-CB 4.46Å; C702-H808 PolarHBondContact N-O 3.06Å; C702-H808 PolarHBondContact O-N 2.75Å; I778-H808 HydrophobicContact CG2-CB 3.91Å; W792-H808 HydrophobicContact CH2-CB 4.16Å; W792-H808 HydrophobicContact CZ2-CB 4.34Å; H802-H808 AromaticContact CE1-CE1 3.15Å; H802-H808 PolarHBondContact CE1-CE1 2.91Å; H802-H808 AromaticContact CE1-NE2 3.43Å; H802-H808 PolarHBondContact CE1-NE2 2.98Å; H802-H808 AromaticContact ND1-CE1 3.41Å; H802-H808 PolarHBondContact ND1-CE1 2.97Å; H802-H808 AromaticContact ND1-NE2 3.19Å; H802-H808 PolarHBondContact ND1-NE2 3.24Å; H802-H808 VanDerWaalsContact ND1-NE2 3.19Å; H802-H808 AromaticContact NE2-CE1 3.94Å
809	L	92.8	Very high	82.7	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.8	-170.3	-165.7	66.3	0	0	0	111.8	R699 E701 A777 K811 P892 T893	R699-L809 HydrophobicContact CG-CD1 3.9Å; E701-L809 HydrophobicContact CG-CD1 3.75Å; A777-L809 WeakPolarHBondContact CB-O 3.46Å; A777-L809 PolarHBondContact N-O 3.31Å; L809-K811 HydrophobicContact CD2-CD 3.82Å; L809-K811 HydrophobicContact CD2-CG 4.22Å; L809-K811 HydrophobicContact CG-CD 4.41Å; L809-K811 HydrophobicContact CG-CG 4.27Å; L809-P892 WeakPolarHBondContact CD2-O 3.07Å; L809-T893 HydrophobicContact CB-CG2 4.29Å
810	F	95.6	Very high	83.1	Confident	1 Å²	1	67.7 Å²	67.7	0%	0.004	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.7	159.9	164.7	-78.6	0	0	0	108.4	I698 I700 M774 V776 A781 L790 W792 C812	I698-F810 HydrophobicContact CG2-CE1 4.16Å; I700-F810 HydrophobicContact CB-CB 4.21Å; I700-F810 HydrophobicContact CB-CD1 4.15Å; I700-F810 HydrophobicContact CD1-CD1 3.66Å; I700-F810 HydrophobicContact CD1-CE1 4.05Å; I700-F810 HydrophobicContact CD1-CG 4.33Å; I700-F810 HydrophobicContact CG1-CD1 3.83Å; I700-F810 HydrophobicContact CG1-CE1 4.47Å; I700-F810 PolarHBondContact N-O 2.75Å; I700-F810 PolarHBondContact O-N 2.97Å; M774-F810 HydrophobicContact CB-CE2 4.43Å; M774-F810 HydrophobicContact CE-CE2 3.67Å; M774-F810 HydrophobicContact CE-CZ 3.89Å; M774-F810 HydrophobicContact CG-CZ 4.46Å; V776-F810 HydrophobicContact CG1-CB 4.34Å; V776-F810 HydrophobicContact CG1-CD2 3.62Å; V776-F810 HydrophobicContact CG1-CE2 4.46Å; V776-F810 HydrophobicContact CG1-CG 4.46Å; A781-F810 HydrophobicContact CB-CD2 3.79Å; A781-F810 HydrophobicContact CB-CE2 3.67Å; L790-F810 HydrophobicContact CB-CZ 4.37Å; L790-F810 HydrophobicContact CD1-CE1 4.26Å; L790-F810 HydrophobicContact CD1-CZ 3.77Å; W792-F810 HydrophobicContact CB-CD2 4.4Å; W792-F810 HydrophobicContact CD2-CB 3.77Å; W792-F810 HydrophobicContact CD2-CG 4.47Å; W792-F810 HydrophobicContact CE3-CB 3.49Å; W792-F810 VanDerWaalsContact CE3-CB 3.49Å; W792-F810 HydrophobicContact CE3-CG 4.34Å; W792-F810 HydrophobicContact CG-CB 4.47Å; W792-F810 HydrophobicContact CG-CD2 4.36Å; W792-F810 HydrophobicContact CH2-CB 4.05Å; W792-F810 HydrophobicContact CZ2-CB 4.29Å; W792-F810 HydrophobicContact CZ3-CB 3.64Å; F810-C812 HydrophobicContact CE1-CB 3.61Å; F810-C812 HydrophobicContact CZ-CB 3.6Å
811	K	93.7	Very high	83.7	Confident	30 Å²	30	65.5 Å²	65.5	13%	0.13	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137	174.2	-88.8	169.3	168.8	158.3	0	109.4	I698 M774 E775 L809 P892	I698-K811 WeakPolarHBondContact O-CA 3.46Å; M774-K811 CarbonylContact C-O 3.51Å; M774-K811 WeakPolarHBondContact CA-O 3.29Å; E775-K811 PolarHBondContact N-O 2.95Å; E775-K811 PolarHBondContact O-N 3.25Å; L809-K811 HydrophobicContact CD2-CD 3.82Å; L809-K811 HydrophobicContact CD2-CG 4.22Å; L809-K811 HydrophobicContact CG-CD 4.41Å; L809-K811 HydrophobicContact CG-CG 4.27Å; K811-P892 PolarHBondContact NZ-O 2.9Å
812	C	94.2	Very high	84.7	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.007	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.5	171	166.5	0	0	0	0	108.7	E697 I698 L773 M774 L790 F810	E697-C812 CarbonylContact C-O 3.54Å; E697-C812 WeakPolarHBondContact CA-O 3.3Å; I698-C812 HydrophobicContact CB-CB 4.18Å; I698-C812 PolarHBondContact N-O 3.3Å; I698-C812 PolarHBondContact O-N 2.93Å; L773-C812 CarbonylContact O-C 3.43Å; L773-C812 WeakPolarHBondContact O-CA 3.4Å; L773-C812 PolarHBondContact O-SG 3.12Å; M774-C812 HydrophobicContact CG-CB 4.11Å; L790-C812 HydrophobicContact CD1-CB 4.1Å; F810-C812 HydrophobicContact CE1-CB 3.61Å; F810-C812 HydrophobicContact CZ-CB 3.6Å
813	R	92.4	Very high	85.4	Confident	97 Å²	97	64.1 Å²	64.1	37%	0.366	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	124.9	-172	-71.8	177.8	170.8	-160.9	-10.7	109.7	I696 E697 L773 Q885	I696-R813 WeakPolarHBondContact O-CA 3.23Å; E697-R813 HydrophobicContact CB-CG 4.14Å; E697-R813 HydrophobicContact CG-CG 3.98Å; E697-R813 IonicContact OE1-CZ 3.04Å; E697-R813 IonicContact OE1-NE 2.74Å; E697-R813 PolarHBondContact OE1-NE 2.99Å; E697-R813 IonicContact OE1-NH2 2.65Å; E697-R813 PolarHBondContact OE1-NH2 3.42Å; E697-R813 IonicContact OE2-NH2 3.1Å; L773-R813 PolarHBondContact O-N 3.18Å; R813-Q885 PolarHBondContact NH2-O 2.77Å
814	F	91.7	Very high	86.3	Confident	19 Å²	19	64.3 Å²	64.3	8%	0.083	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	164.7	177.9	56.1	-81.8	0	0	0	111.6	I696 I698 W730 L733 F734 L773 L816	I696-F814 HydrophobicContact CB-CD1 4.49Å; I696-F814 HydrophobicContact CB-CD2 4.29Å; I696-F814 HydrophobicContact CB-CE1 4.12Å; I696-F814 HydrophobicContact CB-CE2 3.93Å; I696-F814 HydrophobicContact CB-CZ 3.83Å; I696-F814 HydrophobicContact CD1-CE2 3.85Å; I696-F814 HydrophobicContact CD1-CZ 4.1Å; I696-F814 HydrophobicContact CG1-CE2 4.33Å; I696-F814 HydrophobicContact CG2-CE1 3.81Å; I696-F814 HydrophobicContact CG2-CE2 4.23Å; I696-F814 HydrophobicContact CG2-CZ 3.62Å; I696-F814 PolarHBondContact N-O 2.93Å; I696-F814 PolarHBondContact O-N 3.23Å; I698-F814 HydrophobicContact CD1-CE1 4.06Å; W730-F814 HydrophobicContact CD2-CE2 4.23Å; W730-F814 HydrophobicContact CD2-CZ 4.47Å; W730-F814 AromaticContact CE3-CE2 3.94Å; W730-F814 HydrophobicContact CE3-CE2 3.94Å; W730-F814 AromaticContact CE3-CZ 3.75Å; W730-F814 HydrophobicContact CE3-CZ 3.75Å; W730-F814 HydrophobicContact CZ3-CE2 4.43Å; W730-F814 HydrophobicContact CZ3-CZ 4.1Å; L733-F814 HydrophobicContact CD1-CD2 3.64Å; L733-F814 HydrophobicContact CD1-CE2 4.01Å; L733-F814 HydrophobicContact CD1-CG 4.4Å; F734-F814 HydrophobicContact CZ-CD1 4.13Å; F734-F814 AromaticContact CZ-CE1 3.89Å; F734-F814 HydrophobicContact CZ-CE1 3.89Å; F734-F814 HydrophobicContact CZ-CZ 4.4Å; L773-F814 HydrophobicContact CD1-CB 3.75Å; F814-L816 HydrophobicContact CD2-CD2 3.98Å; F814-L816 HydrophobicContact CE2-CD2 3.82Å
815	E	90.2	Very high	87.2	Confident	103 Å²	103	62.4 Å²	62.4	48%	0.481	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124	175.7	-178.3	158.7	-156.2	0	0	109.1	S694 K695	S694-E815 PolarHBondContact OG-OE1 2.78Å; K695-E815 WeakPolarHBondContact CE-OE1 3.31Å; K695-E815 WeakPolarHBondContact CE-OE2 3.29Å; K695-E815 HydrophobicContact CG-CB 4.12Å; K695-E815 HydrophobicContact CG-CG 3.89Å; K695-E815 IonicContact NZ-OE1 2.73Å; K695-E815 IonicContact NZ-OE2 2.82Å
816	L	89.4	Confident	87.9	Confident	16 Å²	16	57.2 Å²	57.2	8%	0.084	29%	0.286	C	S	.	.			trans	-72.5	138.7	175.3	-64.8	-172.8	0	0	0	110.6	S694 I696 W730 L733 F814 D820 M822	S694-L816 WeakPolarHBondContact CB-O 3.39Å; S694-L816 WeakPolarHBondContact O-CB 3.47Å; S694-L816 PolarHBondContact O-N 2.92Å; I696-L816 HydrophobicContact CD1-CD1 3.77Å; I696-L816 HydrophobicContact CD1-CD2 4.48Å; I696-L816 HydrophobicContact CD1-CG 4.02Å; W730-L816 HydrophobicContact CD2-CD2 4.33Å; W730-L816 HydrophobicContact CG-CD2 4.26Å; W730-L816 HydrophobicContact CZ2-CD1 3.86Å; L733-L816 HydrophobicContact CD1-CD2 4.1Å; F814-L816 HydrophobicContact CD2-CD2 3.98Å; F814-L816 HydrophobicContact CE2-CD2 3.82Å; L816-D820 HydrophobicContact CB-CB 3.85Å; L816-D820 HydrophobicContact CD1-CB 4.36Å; L816-D820 HydrophobicContact CD2-CB 3.87Å; L816-D820 HydrophobicContact CG-CB 4.23Å; L816-M822 HydrophobicContact CD1-CE 3.89Å
817	T	87.8	Confident	88.3	Confident	73 Å²	73	56 Å²	56	45%	0.448	28%	0.283	S	S	.	.			trans	-78.8	171	171.6	74.6	0	0	0	0	111.1	F819 D820	T817-F819 PolarHBondContact O-N 3.1Å; T817-F819 VanDerWaalsContact O-N 3.1Å; T817-F819 PolarHBondContact OG1-N 2.69Å; T817-D820 WeakPolarHBondContact CA-OD2 3.47Å; T817-D820 VanDerWaalsContact CB-OD2 3.28Å; T817-D820 WeakPolarHBondContact CB-OD2 3.22Å; T817-D820 WeakPolarHBondContact CG2-OD2 3.35Å; T817-D820 PolarHBondContact N-OD2 2.78Å; T817-D820 PolarHBondContact O-N 3.32Å; T817-D820 PolarHBondContact OG1-N 2.89Å; T817-D820 PolarHBondContact OG1-OD2 3.08Å
818	S	84.7	Confident	88.5	Confident	114 Å²	114	57 Å²	57	80%	0.797	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-5.2	172	57.4	0	0	0	0	114.8
819	F	82.9	Confident	88.7	Confident	185 Å²	185	58.2 Å²	58.2	81%	0.811	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-10.9	176.3	-58.6	-77.5	0	0	0	112.6	T817 M821	T817-F819 PolarHBondContact O-N 3.1Å; T817-F819 VanDerWaalsContact O-N 3.1Å; T817-F819 PolarHBondContact OG1-N 2.69Å; F819-M821 PolarHBondContact O-N 2.81Å
820	D	86.3	Confident	88.8	Confident	22 Å²	22	58.1 Å²	58.1	12%	0.118	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-77.7	121.8	179.4	-74.8	-76.2	0	0	0	111	Y732 L816 T817	Y732-D820 WeakPolarHBondContact CE1-OD1 3.39Å; Y732-D820 VanDerWaalsContact OH-CG 3.22Å; Y732-D820 PolarHBondContact OH-OD1 2.82Å; Y732-D820 PolarHBondContact OH-OD2 3.32Å; L816-D820 HydrophobicContact CB-CB 3.85Å; L816-D820 HydrophobicContact CD1-CB 4.36Å; L816-D820 HydrophobicContact CD2-CB 3.87Å; L816-D820 HydrophobicContact CG-CB 4.23Å; T817-D820 WeakPolarHBondContact CA-OD2 3.47Å; T817-D820 VanDerWaalsContact CB-OD2 3.28Å; T817-D820 WeakPolarHBondContact CB-OD2 3.22Å; T817-D820 WeakPolarHBondContact CG2-OD2 3.35Å; T817-D820 PolarHBondContact N-OD2 2.78Å; T817-D820 PolarHBondContact O-N 3.32Å; T817-D820 PolarHBondContact OG1-N 2.89Å; T817-D820 PolarHBondContact OG1-OD2 3.08Å
821	M	82.1	Confident	88.8	Confident	119 Å²	119	61.7 Å²	61.7	59%	0.586	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-75.2	129.5	174	-64.4	-178.5	68.2	0	0	110.2	A729 W730 F819 I966	A729-M821 HydrophobicContact CB-CB 4.49Å; W730-M821 PolarHBondContact NE1-O 3.01Å; F819-M821 PolarHBondContact O-N 2.81Å; M821-I966 HydrophobicContact CE-CD1 3.88Å
822	M	84.4	Confident	89	Confident	85 Å²	85	60.3 Å²	60.3	42%	0.419	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-72	129.3	159.2	-167	65.9	63.1	0	0	107.6	I691 W730 L816 F826	I691-M822 HydrophobicContact CG2-CE 4.22Å; W730-M822 HydrophobicContact CH2-SD 4.04Å; W730-M822 HydrophobicContact CZ2-CE 4.46Å; W730-M822 HydrophobicContact CZ2-SD 3.68Å; L816-M822 HydrophobicContact CD1-CE 3.89Å; M822-F826 HydrophobicContact SD-CZ 3.77Å
823	P	83.9	Confident	89	Confident	28 Å²	28	63.3 Å²	63.3	18%	0.182	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-70.6	149.2	176	32.2	-37.3	0	0	0	110.9	P727 W730 A825 F826	P727-P823 HydrophobicContact CB-CB 4.3Å; P727-P823 HydrophobicContact CB-CG 3.91Å; P727-P823 HydrophobicContact CG-CG 3.82Å; W730-P823 HydrophobicContact CZ2-CG 4.39Å; P823-A825 PolarHBondContact O-N 2.91Å; P823-F826 HydrophobicContact CG-CD1 3.79Å; P823-F826 HydrophobicContact CG-CE1 3.33Å; P823-F826 HydrophobicContact CG-CZ 3.93Å
824	E	81.7	Confident	89.2	Confident	166 Å²	166	58.9 Å²	58.9	78%	0.776	31%	0.305	S	S	*	.	S	Bend	trans	-63.6	-28	177.7	-61.4	176.6	174.3	0	0	113	I912	E824-I912 HydrophobicContact CB-CD1 4.27Å
825	A	84.4	Confident	89.3	Confident	17 Å²	17	59.3 Å²	59.3	14%	0.14	31%	0.309	C	S	.	.	S	Bend	trans	-149.6	144.3	177.1	0	0	0	0	0	111.5	P823 A917	P823-A825 PolarHBondContact O-N 2.91Å; A825-A917 HydrophobicContact CB-CB 3.67Å
826	F	87.8	Confident	89.4	Confident	25 Å²	25	54.4 Å²	54.4	11%	0.11	29%	0.286	C	S	.	.			trans	-93.8	151.6	171.8	-61.1	-69.6	0	0	0	111.7	M689 I691 P727 W730 M822 P823 P828 Y878	M689-F826 HydrophobicContact CE-CD1 4.09Å; M689-F826 HydrophobicContact CE-CE1 3.56Å; M689-F826 HydrophobicContact CE-CE2 4.24Å; M689-F826 HydrophobicContact CE-CZ 3.64Å; I691-F826 HydrophobicContact CD1-CE2 3.89Å; I691-F826 HydrophobicContact CD1-CZ 3.9Å; P727-F826 HydrophobicContact CG-CD1 3.94Å; P727-F826 HydrophobicContact CG-CE1 4Å; W730-F826 AromaticContact CH2-CE1 3.5Å; W730-F826 HydrophobicContact CH2-CE1 3.5Å; W730-F826 VanDerWaalsContact CH2-CE1 3.5Å; W730-F826 AromaticContact CH2-CZ 3.95Å; W730-F826 HydrophobicContact CH2-CZ 3.95Å; W730-F826 HydrophobicContact CZ2-CE1 4.23Å; W730-F826 HydrophobicContact CZ3-CE1 4.07Å; M822-F826 HydrophobicContact SD-CZ 3.77Å; P823-F826 HydrophobicContact CG-CD1 3.79Å; P823-F826 HydrophobicContact CG-CE1 3.33Å; P823-F826 HydrophobicContact CG-CZ 3.93Å; F826-P828 WeakPolarHBondContact O-CD 3.14Å; F826-Y878 HydrophobicContact CB-CD1 4.22Å; F826-Y878 HydrophobicContact CB-CD2 4.37Å; F826-Y878 HydrophobicContact CB-CE1 3.65Å; F826-Y878 HydrophobicContact CB-CE2 3.8Å; F826-Y878 VanDerWaalsContact CB-CZ 3.43Å; F826-Y878 HydrophobicContact CD1-CE1 4.03Å; F826-Y878 AromaticContact CD2-CD1 3.74Å; F826-Y878 HydrophobicContact CD2-CD1 3.74Å; F826-Y878 AromaticContact CD2-CE1 3.9Å; F826-Y878 HydrophobicContact CD2-CE1 3.9Å; F826-Y878 HydrophobicContact CD2-CG 4.22Å; F826-Y878 HydrophobicContact CE2-CD1 4.29Å; F826-Y878 AromaticContact CG-CD1 3.93Å; F826-Y878 HydrophobicContact CG-CD1 3.93Å; F826-Y878 AromaticContact CG-CE1 3.58Å; F826-Y878 HydrophobicContact CG-CE1 3.58Å; F826-Y878 AromaticContact CG-CZ 3.93Å
827	I	89.8	Confident	89.5	Confident	50 Å²	50	56.1 Å²	56.1	26%	0.256	30%	0.299	S	S	.	.			trans	-70	116.6	170.6	-65.6	169.8	0	0	0	107.5	P725 T829 Y878	P725-I827 HydrophobicContact CB-CB 4.06Å; P725-I827 HydrophobicContact CB-CD1 3.98Å; P725-I827 HydrophobicContact CB-CG2 4.17Å; P725-I827 HydrophobicContact CG-CB 3.91Å; P725-I827 HydrophobicContact CG-CG2 3.9Å; I827-T829 PolarHBondContact O-N 2.68Å; I827-Y878 PolarHBondContact O-OH 3.35Å; I827-Y878 VanDerWaalsContact O-OH 3.06Å
828	P	92.2	Very high	89.5	Confident	34 Å²	34	56 Å²	56	22%	0.221	29%	0.294	C	S	.	.			trans	-74.6	1.3	-163.6	29.3	-37	0	0	0	115.2	F826 E875 I876 T914	F826-P828 WeakPolarHBondContact O-CD 3.14Å; P828-E875 WeakPolarHBondContact O-CA 3.42Å; P828-I876 PolarHBondContact O-N 3.02Å; P828-T914 HydrophobicContact CG-CG2 4.31Å
829	T	94.7	Very high	89.7	Confident	35 Å²	35	50.9 Å²	50.9	22%	0.215	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	139.5	-166.4	51.8	0	0	0	0	112.6	I827 T873 V874 E875	I827-T829 PolarHBondContact O-N 2.68Å; T829-T873 HydrophobicContact CG2-CG2 3.79Å; T829-V874 CarbonylContact C-O 3.56Å; T829-V874 WeakPolarHBondContact CA-O 3.21Å; T829-E875 HydrophobicContact CG2-CG 4.34Å
830	C	95.1	Very high	89.9	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	153.7	165.4	61.9	0	0	0	0	110.9	R723 F724 V874 I876	R723-C830 WeakPolarHBondContact O-CA 3.45Å; R723-C830 WeakPolarHBondContact O-CB 3.42Å; F724-C830 HydrophobicContact CD2-CB 4.44Å; C830-V874 PolarHBondContact N-O 2.98Å; C830-V874 PolarHBondContact O-N 3.32Å; C830-I876 HydrophobicContact CB-CD1 4.02Å; C830-I876 HydrophobicContact CB-CG1 4.06Å
831	E	95.7	Very high	89.9	Confident	76 Å²	76	41.3 Å²	41.3	36%	0.355	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	139.4	179.7	-59.4	178.9	161.3	0	0	110.3	R723 Y872	R723-E831 HydrophobicContact CB-CB 4.26Å; R723-E831 IonicContact CZ-OE2 3.22Å; R723-E831 PolarHBondContact N-O 3.08Å; R723-E831 IonicContact NE-OE2 2.74Å; R723-E831 PolarHBondContact NE-OE2 3.09Å; R723-E831 IonicContact NH2-OE2 2.77Å; R723-E831 PolarHBondContact NH2-OE2 3.24Å; R723-E831 PolarHBondContact O-N 3.34Å; R723-E831 VanDerWaalsContact O-N 3.08Å; E831-Y872 WeakPolarHBondContact CA-O 3.32Å
832	V	96.8	Very high	90.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130	178.1	-171.4	0	0	0	0	110.1	L683 I685 Q721 I722 F834 S871 Y872 V874	L683-V832 HydrophobicContact CD2-CG1 4.36Å; I685-V832 HydrophobicContact CG1-CG1 4.34Å; I685-V832 HydrophobicContact CG1-CG2 4.22Å; I685-V832 HydrophobicContact CG2-CG2 4.34Å; Q721-V832 WeakPolarHBondContact O-CA 3.45Å; I722-V832 HydrophobicContact CG1-CG1 3.81Å; I722-V832 HydrophobicContact CG1-CG2 4.14Å; I722-V832 HydrophobicContact CG2-CG2 4.25Å; V832-F834 HydrophobicContact CG1-CD1 4.39Å; V832-S871 CarbonylContact O-C 3.56Å; V832-S871 VanDerWaalsContact O-CA 3.31Å; V832-S871 WeakPolarHBondContact O-CA 3.19Å; V832-Y872 HydrophobicContact CB-CD2 4.41Å; V832-Y872 PolarHBondContact N-O 3.19Å; V832-Y872 PolarHBondContact O-N 2.86Å; V832-V874 HydrophobicContact CG2-CG2 3.97Å
833	E	95.8	Very high	90.5	Very high	64 Å²	64	33.3 Å²	33.3	30%	0.299	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.8	175.3	-75.5	167.7	-175.3	0	0	110.2	I720 Q721 R723 Y870	I720-E833 CarbonylContact C-O 3.51Å; I720-E833 WeakPolarHBondContact CA-O 3.36Å; Q721-E833 PolarHBondContact N-O 2.8Å; Q721-E833 PolarHBondContact O-N 3.28Å; R723-E833 IonicContact CZ-OE1 3.25Å; R723-E833 IonicContact CZ-OE2 3.16Å; R723-E833 IonicContact NH1-OE1 2.92Å; R723-E833 PolarHBondContact NH1-OE1 2.66Å; R723-E833 IonicContact NH1-OE2 2.89Å; R723-E833 PolarHBondContact NH1-OE2 3.14Å; R723-E833 VanDerWaalsContact NH2-CD 3.29Å; R723-E833 IonicContact NH2-OE1 2.78Å; R723-E833 PolarHBondContact NH2-OE1 3.03Å; R723-E833 IonicContact NH2-OE2 3.09Å; E833-Y870 WeakPolarHBondContact CA-O 3.38Å
834	F	95.5	Very high	91	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.022	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	175.3	170.3	63.1	-83.9	0	0	0	111.2	P682 L683 C717 I720 V832 M836 Y870 Y872	P682-F834 HydrophobicContact CG-CE2 4.15Å; P682-F834 HydrophobicContact CG-CZ 4.04Å; L683-F834 HydrophobicContact CB-CE1 3.88Å; L683-F834 HydrophobicContact CB-CE2 4.45Å; L683-F834 HydrophobicContact CB-CZ 3.79Å; L683-F834 HydrophobicContact CD2-CD1 3.86Å; L683-F834 HydrophobicContact CD2-CE1 3.9Å; L683-F834 HydrophobicContact CD2-CG 4.43Å; L683-F834 HydrophobicContact CD2-CZ 4.48Å; C717-F834 HydrophobicContact CB-CD2 3.82Å; C717-F834 HydrophobicContact CB-CE2 4.2Å; C717-F834 VanDerWaalsContact SG-CE2 3.59Å; I720-F834 HydrophobicContact CB-CB 4.19Å; I720-F834 HydrophobicContact CG1-CB 3.82Å; I720-F834 HydrophobicContact CG2-CB 4.41Å; V832-F834 HydrophobicContact CG1-CD1 4.39Å; F834-M836 HydrophobicContact CD2-CG 4.18Å; F834-M836 HydrophobicContact CE2-CG 4.02Å; F834-M836 HydrophobicContact CE2-SD 4.05Å; F834-Y870 HydrophobicContact CD2-CD2 4.04Å; F834-Y870 HydrophobicContact CD2-CG 4.1Å; F834-Y870 VanDerWaalsContact CE1-CB 3.45Å; F834-Y870 HydrophobicContact CE1-CD1 4.18Å; F834-Y870 AromaticContact CE1-CG 3.94Å; F834-Y870 HydrophobicContact CE1-CG 3.94Å; F834-Y870 AromaticContact CE2-CD1 3.99Å; F834-Y870 HydrophobicContact CE2-CD1 3.99Å; F834-Y870 AromaticContact CE2-CD2 3.52Å; F834-Y870 HydrophobicContact CE2-CD2 3.52Å; F834-Y870 HydrophobicContact CE2-CE1 4.5Å; F834-Y870 HydrophobicContact CE2-CE2 4.08Å; F834-Y870 AromaticContact CE2-CG 3.46Å; F834-Y870 HydrophobicContact CE2-CG 3.46Å; F834-Y870 VanDerWaalsContact CE2-CG 3.46Å; F834-Y870 VanDerWaalsContact CZ-CB 3.44Å; F834-Y870 AromaticContact CZ-CD1 3.53Å; F834-Y870 HydrophobicContact CZ-CD1 3.53Å; F834-Y870 AromaticContact CZ-CD2 3.94Å; F834-Y870 HydrophobicContact CZ-CD2 3.94Å; F834-Y870 HydrophobicContact CZ-CE1 4.2Å; F834-Y870 AromaticContact CZ-CG 3.37Å; F834-Y870 HydrophobicContact CZ-CG 3.37Å; F834-Y870 PolarHBondContact N-O 3.15Å; F834-Y870 VanDerWaalsContact N-O 3.15Å; F834-Y870 PolarHBondContact O-N 3.39Å; F834-Y872 HydrophobicContact CE1-CD2 4.24Å; F834-Y872 HydrophobicContact CE1-CE1 4.45Å; F834-Y872 AromaticContact CE1-CE2 3.61Å; F834-Y872 HydrophobicContact CE1-CE2 3.61Å; F834-Y872 AromaticContact CE1-CZ 3.72Å; F834-Y872 HydrophobicContact CZ-CE2 4.08Å; F834-Y872 AromaticContact CZ-CZ 3.84Å; F834-Y872 WeakPolarHBondContact CZ-OH 3.47Å
835	T	95	Very high	91.6	Very high	27 Å²	27	24.9 Å²	24.9	17%	0.166	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	161.9	175.5	65.5	0	0	0	0	112	C717 E718 L867 S868	C717-T835 WeakPolarHBondContact CA-O 3.22Å; E718-T835 PolarHBondContact N-O 3.07Å; E718-T835 PolarHBondContact O-N 2.79Å; E718-T835 PolarHBondContact O-OG1 3.13Å; E718-T835 VanDerWaalsContact O-OG1 3.13Å; T835-L867 HydrophobicContact CG2-CD1 4.39Å; T835-S868 CarbonylContact C-O 3.6Å; T835-S868 VanDerWaalsContact CA-O 3.23Å; T835-S868 WeakPolarHBondContact CA-O 3.3Å; T835-S868 WeakPolarHBondContact CB-O 3.16Å
836	M	92.2	Very high	92.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.8	170.3	-56.6	-177.2	80.7	0	0	109.8	P682 V715 F834 I838 T840 S868 Y870	P682-M836 HydrophobicContact CB-CE 3.92Å; P682-M836 HydrophobicContact CB-SD 3.93Å; P682-M836 HydrophobicContact CG-CE 4.38Å; P682-M836 HydrophobicContact CG-SD 3.71Å; V715-M836 HydrophobicContact CB-CE 3.97Å; V715-M836 HydrophobicContact CG1-CB 4.36Å; V715-M836 HydrophobicContact CG1-CE 3.73Å; F834-M836 HydrophobicContact CD2-CG 4.18Å; F834-M836 HydrophobicContact CE2-CG 4.02Å; F834-M836 HydrophobicContact CE2-SD 4.05Å; M836-I838 VanDerWaalsContact C-N 3.29Å; M836-I838 PolarHBondContact O-N 2.72Å; M836-T840 HydrophobicContact CB-CG2 4.34Å; M836-T840 HydrophobicContact CE-CG2 3.97Å; M836-T840 HydrophobicContact SD-CG2 3.9Å; M836-S868 PolarHBondContact N-O 3.13Å; M836-S868 PolarHBondContact O-N 2.96Å; M836-Y870 HydrophobicContact CB-CE2 4.42Å; M836-Y870 HydrophobicContact CG-CD2 4.14Å; M836-Y870 HydrophobicContact CG-CE2 3.81Å; M836-Y870 HydrophobicContact SD-CD2 4.22Å; M836-Y870 HydrophobicContact SD-CE2 3.44Å; M836-Y870 WeakPolarHBondContact SD-CE2 3.3Å
837	P	90.7	Very high	92.5	Very high	53 Å²	53	26.1 Å²	26.1	34%	0.344	14%	0.138	S	C	.	.	S	Bend	trans	-79	0.3	-170.5	30.9	-37.6	0	0	0	115.7	V715 P716	V715-P837 HydrophobicContact CG1-CG 4.12Å; P716-P837 HydrophobicContact CG-CG 3.97Å; P716-P837 WeakPolarHBondContact O-CD 3.47Å
838	I	88.1	Confident	92.7	Very high	70 Å²	70	24 Å²	24	36%	0.359	13%	0.127	S	C	.	.	S	Bend	trans	-135.3	162.1	174.2	63.5	161.6	0	0	0	110.1	V715 M836 T840 S868	V715-I838 HydrophobicContact CG1-CD1 4.37Å; V715-I838 HydrophobicContact CG1-CG1 3.87Å; V715-I838 HydrophobicContact CG2-CD1 3.82Å; V715-I838 HydrophobicContact CG2-CG1 4.25Å; M836-I838 VanDerWaalsContact C-N 3.29Å; M836-I838 PolarHBondContact O-N 2.72Å; I838-T840 HydrophobicContact CD1-CG2 4.19Å; I838-T840 HydrophobicContact CG1-CG2 3.76Å; I838-T840 PolarHBondContact O-N 2.99Å; I838-S868 PolarHBondContact O-OG 3.27Å
839	A	88.9	Confident	92.9	Very high	7 Å²	7	22.4 Å²	22.4	6%	0.058	12%	0.117	C	C	.	.			trans	-73.5	83.6	178.4	0	0	0	0	0	112.3	D572 N843 Y866 S868	D572-A839 HydrophobicContact CB-CB 3.83Å; A839-N843 WeakPolarHBondContact O-CA 3.26Å; A839-N843 PolarHBondContact O-N 2.71Å; A839-N843 VanDerWaalsContact O-N 3.16Å; A839-Y866 HydrophobicContact CB-CD1 4.08Å; A839-S868 WeakPolarHBondContact CA-OG 3.35Å
840	T	86.3	Confident	92.9	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-20.2	-170.6	44.1	0	0	0	0	115.7	D572 R679 F707 V715 M836 I838 N843 S868 Y870	D572-T840 PolarHBondContact OD2-N 2.99Å; R679-T840 PolarHBondContact NH2-O 2.67Å; F707-T840 HydrophobicContact CD1-CG2 4.31Å; F707-T840 HydrophobicContact CE1-CG2 3.68Å; F707-T840 HydrophobicContact CZ-CG2 4.29Å; V715-T840 HydrophobicContact CG1-CG2 4.26Å; M836-T840 HydrophobicContact CB-CG2 4.34Å; M836-T840 HydrophobicContact CE-CG2 3.97Å; M836-T840 HydrophobicContact SD-CG2 3.9Å; I838-T840 HydrophobicContact CD1-CG2 4.19Å; I838-T840 HydrophobicContact CG1-CG2 3.76Å; I838-T840 PolarHBondContact O-N 2.99Å; T840-N843 PolarHBondContact O-ND2 2.87Å; T840-S868 PolarHBondContact N-OG 3.2Å; T840-S868 PolarHBondContact OG1-OG 2.97Å; T840-Y870 WeakPolarHBondContact CB-OH 3.47Å; T840-Y870 WeakPolarHBondContact OG1-CE2 3.41Å; T840-Y870 PolarHBondContact OG1-OH 3.13Å
841	V	87.5	Confident	92.9	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.024	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-60.5	179.8	-176.5	0	0	0	0	110.9	D572 Y574 A589 P675 N843 Y870	D572-V841 WeakPolarHBondContact OD2-CB 3.4Å; D572-V841 PolarHBondContact OD2-N 3.21Å; Y574-V841 HydrophobicContact CD1-CG2 4.33Å; Y574-V841 HydrophobicContact CD2-CB 4.35Å; Y574-V841 HydrophobicContact CD2-CG1 3.67Å; Y574-V841 HydrophobicContact CD2-CG2 3.97Å; Y574-V841 HydrophobicContact CE2-CG1 3.99Å; Y574-V841 HydrophobicContact CG-CG1 4.35Å; Y574-V841 HydrophobicContact CG-CG2 3.8Å; A589-V841 HydrophobicContact CB-CG1 3.77Å; P675-V841 HydrophobicContact CB-CG1 4.49Å; P675-V841 HydrophobicContact CG-CG1 4.18Å; V841-N843 VanDerWaalsContact C-N 3.26Å; V841-N843 PolarHBondContact O-N 3.29Å; V841-N843 PolarHBondContact O-ND2 3.18Å; V841-Y870 HydrophobicContact CG2-CE1 3.85Å; V841-Y870 HydrophobicContact CG2-CE2 4.45Å; V841-Y870 VanDerWaalsContact CG2-OH 3.23Å; V841-Y870 WeakPolarHBondContact CG2-OH 3.45Å
842	S	89.7	Confident	92.7	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.014	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.7	176.5	59.5	0	0	0	0	113.8	D572 V591 I634 T844	D572-S842 WeakPolarHBondContact OD1-CB 3.42Å; D572-S842 PolarHBondContact OD1-N 3.34Å; D572-S842 PolarHBondContact OD1-OG 2.85Å; V591-S842 VanDerWaalsContact CG2-OG 3.29Å; V591-S842 WeakPolarHBondContact CG2-OG 3.45Å; I634-S842 WeakPolarHBondContact CD1-O 3.19Å; I634-S842 WeakPolarHBondContact CG1-O 3.33Å; S842-T844 VanDerWaalsContact CB-OG1 3.23Å; S842-T844 WeakPolarHBondContact CB-OG1 3.35Å; S842-T844 PolarHBondContact O-N 2.96Å; S842-T844 WeakPolarHBondContact OG-CB 3.32Å; S842-T844 PolarHBondContact OG-N 3.41Å; S842-T844 PolarHBondContact OG-OG1 3.01Å
843	N	89.9	Confident	92.4	Very high	35 Å²	35	25.8 Å²	25.8	19%	0.187	13%	0.134	C	C	.	.			trans	60.5	28.6	-168.8	-63.8	-104.5	0	0	0	112.4	L392 N610 A839 T840 V841 V845	L392-N843 HydrophobicContact CD1-CB 4.02Å; L392-N843 WeakPolarHBondContact CD1-ND2 3.13Å; N610-N843 PolarHBondContact ND2-O 3.42Å; A839-N843 WeakPolarHBondContact O-CA 3.26Å; A839-N843 PolarHBondContact O-N 2.71Å; A839-N843 VanDerWaalsContact O-N 3.16Å; T840-N843 PolarHBondContact O-ND2 2.87Å; V841-N843 VanDerWaalsContact C-N 3.26Å; V841-N843 PolarHBondContact O-N 3.29Å; V841-N843 PolarHBondContact O-ND2 3.18Å; N843-V845 PolarHBondContact O-N 2.96Å
844	T	93.9	Very high	92.1	Very high	2 Å²	2	24 Å²	24	1%	0.012	13%	0.125	C	C	.	.			trans	-66.7	128.1	-178.9	-58.8	0	0	0	0	111.5	V591 L609 I634 F671 S842 Y866	V591-T844 HydrophobicContact CG1-CG2 4.22Å; L609-T844 HydrophobicContact CD2-CG2 4.36Å; I634-T844 VanDerWaalsContact CD1-CA 3.49Å; F671-T844 HydrophobicContact CZ-CG2 4.06Å; F671-T844 WeakPolarHBondContact CZ-OG1 3.45Å; S842-T844 VanDerWaalsContact CB-OG1 3.23Å; S842-T844 WeakPolarHBondContact CB-OG1 3.35Å; S842-T844 PolarHBondContact O-N 2.96Å; S842-T844 WeakPolarHBondContact OG-CB 3.32Å; S842-T844 PolarHBondContact OG-N 3.41Å; S842-T844 PolarHBondContact OG-OG1 3.01Å; T844-Y866 VanDerWaalsContact O-CE1 3.28Å; T844-Y866 WeakPolarHBondContact O-CE1 3.41Å
845	V	94.5	Very high	91.8	Very high	15 Å²	15	33.5 Å²	33.5	9%	0.091	17%	0.169	C	C	.	.			trans	-125.8	123.3	176.7	-178.1	0	0	0	0	109.4	L609 N610 M628 N843 R847	L609-V845 WeakPolarHBondContact CA-O 3.34Å; N610-V845 PolarHBondContact N-O 3.04Å; N610-V845 PolarHBondContact OD1-N 3.01Å; N610-V845 PolarHBondContact OD1-O 3.24Å; M628-V845 HydrophobicContact CB-CG1 3.6Å; N843-V845 PolarHBondContact O-N 2.96Å; V845-R847 HydrophobicContact CB-CG 4.45Å; V845-R847 HydrophobicContact CG1-CG 4.05Å; V845-R847 PolarHBondContact O-N 2.91Å
846	I	95.2	Very high	91.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	105.2	164.6	-65.3	151.9	0	0	0	106.8	V568 C570 I607 G608 L609 M626 V849 V864 Y866	V568-I846 HydrophobicContact CB-CD1 4.18Å; V568-I846 HydrophobicContact CG1-CD1 3.54Å; V568-I846 HydrophobicContact CG1-CG1 4.34Å; C570-I846 HydrophobicContact CB-CD1 3.92Å; I607-I846 HydrophobicContact CG2-CG2 4.04Å; G608-I846 CarbonylContact O-C 3.6Å; G608-I846 WeakPolarHBondContact O-CA 3.29Å; L609-I846 HydrophobicContact CD2-CB 4.29Å; L609-I846 HydrophobicContact CD2-CG1 3.51Å; M626-I846 WeakPolarHBondContact CB-O 3.4Å; M626-I846 HydrophobicContact CG-CG2 4.34Å; I846-V849 HydrophobicContact CG2-CG2 3.86Å; I846-V864 HydrophobicContact CB-CG1 4.12Å; I846-V864 HydrophobicContact CB-CG2 4.33Å; I846-V864 HydrophobicContact CD1-CG1 3.66Å; I846-V864 HydrophobicContact CG1-CG1 4.49Å; I846-V864 HydrophobicContact CG2-CG2 3.92Å; I846-Y866 PolarHBondContact N-OH 3.06Å
847	R	94.4	Very high	91.2	Very high	68 Å²	68	37.1 Å²	37.1	26%	0.257	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-26.6	-176.5	-70.8	-179.9	56.3	74.7	-2.9	112.5	G608 N610 E618 M626 T630 V845	G608-R847 PolarHBondContact O-N 2.83Å; N610-R847 HydrophobicContact CB-CG 4.47Å; E618-R847 IonicContact OE1-CZ 3.7Å; E618-R847 IonicContact OE1-NE 3.18Å; E618-R847 PolarHBondContact OE1-NE 2.94Å; E618-R847 IonicContact OE1-NH2 2.69Å; E618-R847 PolarHBondContact OE1-NH2 3.23Å; E618-R847 WeakPolarHBondContact OE2-CD 3.36Å; E618-R847 IonicContact OE2-CZ 3.77Å; E618-R847 IonicContact OE2-NE 3.24Å; E618-R847 PolarHBondContact OE2-NE 3.14Å; E618-R847 IonicContact OE2-NH2 3.46Å; M626-R847 PolarHBondContact N-O 3.05Å; T630-R847 VanDerWaalsContact CB-NH1 3.3Å; T630-R847 WeakPolarHBondContact OG1-CD 3.5Å; T630-R847 WeakPolarHBondContact OG1-CG 3.43Å; T630-R847 PolarHBondContact OG1-NH1 2.68Å; V845-R847 HydrophobicContact CB-CG 4.45Å; V845-R847 HydrophobicContact CG1-CG 4.05Å; V845-R847 PolarHBondContact O-N 2.91Å
848	S	95.1	Very high	90.9	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.028	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	150.9	176.2	57.5	0	0	0	0	114.3	G608 D624	G608-S848 PolarHBondContact N-O 2.68Å; G608-S848 PolarHBondContact O-N 2.92Å; D624-S848 CarbonylContact O-C 3.59Å; D624-S848 WeakPolarHBondContact O-CA 3.35Å; D624-S848 VanDerWaalsContact O-CB 3.28Å; D624-S848 WeakPolarHBondContact O-CB 3.38Å
849	V	96.4	Very high	90.8	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	103.9	168.6	-178.5	0	0	0	0	107.2	I566 V568 V605 E606 D624 M626 I846 K862 V864	I566-V849 HydrophobicContact CG2-CG1 4.07Å; V568-V849 HydrophobicContact CG2-CG1 4.42Å; V568-V849 HydrophobicContact CG2-CG2 3.94Å; V605-V849 HydrophobicContact CG1-CG1 4.43Å; E606-V849 WeakPolarHBondContact O-CA 3.5Å; D624-V849 WeakPolarHBondContact CB-O 3.39Å; D624-V849 PolarHBondContact O-N 3.45Å; M626-V849 HydrophobicContact CE-CB 4.28Å; M626-V849 HydrophobicContact CG-CG2 4.14Å; M626-V849 HydrophobicContact SD-CB 4.36Å; M626-V849 HydrophobicContact SD-CG2 4.1Å; I846-V849 HydrophobicContact CG2-CG2 3.86Å; V849-K862 HydrophobicContact CB-CD 4.4Å; V849-K862 HydrophobicContact CG1-CD 4.5Å; V849-K862 HydrophobicContact CG1-CG 4.39Å; V849-K862 WeakPolarHBondContact O-CD 3.44Å; V849-K862 WeakPolarHBondContact O-CE 3.2Å; V849-K862 PolarHBondContact O-NZ 2.83Å; V849-V864 HydrophobicContact CG2-CG2 4.36Å
850	A	95	Very high	90.9	Very high	9 Å²	9	43.4 Å²	43.4	7%	0.074	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	150.5	179.4	0	0	0	0	0	111.8	V605 E606 D624	V605-A850 WeakPolarHBondContact CA-O 3.44Å; E606-A850 HydrophobicContact CB-CB 4.19Å; E606-A850 PolarHBondContact N-O 2.82Å; E606-A850 PolarHBondContact O-N 2.75Å; D624-A850 HydrophobicContact CB-CB 3.74Å; D624-A850 VanDerWaalsContact CG-CB 3.46Å; D624-A850 WeakPolarHBondContact OD1-CA 3.38Å
851	V	94.7	Very high	91.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.1	174.4	-164.9	0	0	0	0	108.9	I566 P603 W604 R621 H854 P857 V860	I566-V851 HydrophobicContact CD1-CG2 3.45Å; I566-V851 VanDerWaalsContact CD1-CG2 3.45Å; P603-V851 HydrophobicContact CB-CG1 3.7Å; P603-V851 HydrophobicContact CG-CG1 4.21Å; W604-V851 WeakPolarHBondContact O-CA 3.14Å; R621-V851 PolarHBondContact NH1-O 2.97Å; R621-V851 PolarHBondContact NH2-O 2.88Å; V851-H854 HydrophobicContact CG1-CB 3.88Å; V851-P857 HydrophobicContact CB-CB 4.29Å; V851-V860 HydrophobicContact CG2-CB 4.46Å; V851-V860 HydrophobicContact CG2-CG1 4.28Å
852	D	91.4	Very high	91.3	Very high	56 Å²	56	46 Å²	46	30%	0.299	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.5	178.7	172	40	0	0	0	109.3	P603 W604 R657 H854	P603-D852 CarbonylContact C-O 3.59Å; P603-D852 WeakPolarHBondContact CA-O 3.42Å; P603-D852 WeakPolarHBondContact CB-O 3.38Å; W604-D852 HydrophobicContact CB-CB 4.24Å; W604-D852 PolarHBondContact N-O 2.85Å; W604-D852 PolarHBondContact O-N 3.01Å; R657-D852 IonicContact CZ-OD2 2.79Å; R657-D852 IonicContact NH1-OD2 3.17Å; R657-D852 IonicContact NH2-OD2 2.8Å; R657-D852 PolarHBondContact NH2-OD2 3.23Å; D852-H854 VanDerWaalsContact C-N 3.27Å; D852-H854 PolarHBondContact O-N 3.05Å
853	Q	89.8	Confident	91.4	Very high	117 Å²	117	50.8 Å²	50.8	55%	0.547	24%	0.241	S	C	.	.	S	Bend	trans	58.2	33.4	-173.9	-54.4	176.7	2.8	0	0	114.2	W604	W604-Q853 VanDerWaalsContact CD1-CD 3.41Å; W604-Q853 VanDerWaalsContact CD1-OE1 3.28Å
854	H	90.7	Very high	91.6	Very high	27 Å²	27	51.1 Å²	51.1	13%	0.125	25%	0.245	C	C	.	.			trans	-101.8	149.3	163.7	-156.7	-119.7	0	0	0	109.8	D564 T600 P603 V851 D852 D856 P857	D564-H854 IonicContact OD1-NE2 3.92Å; D564-H854 IonicContact OD2-CE1 2.9Å; D564-H854 PolarHBondContact OD2-CE1 3.46Å; D564-H854 VanDerWaalsContact OD2-CE1 3.3Å; D564-H854 IonicContact OD2-NE2 2.73Å; T600-H854 PolarHBondContact O-CD2 3.12Å; T600-H854 PolarHBondContact O-NE2 3.32Å; P603-H854 HydrophobicContact CB-CB 4.13Å; V851-H854 HydrophobicContact CG1-CB 3.88Å; D852-H854 VanDerWaalsContact C-N 3.27Å; D852-H854 PolarHBondContact O-N 3.05Å; H854-D856 VanDerWaalsContact C-N 3.35Å; H854-D856 VanDerWaalsContact ND1-C 3.27Å; H854-D856 PolarHBondContact ND1-O 3.25Å; H854-P857 HydrophobicContact CB-CB 4.27Å
855	E	88.5	Confident	91.5	Very high	203 Å²	203	54.8 Å²	54.8	95%	0.949	26%	0.258	S	S	*	.	S	Bend	trans	-68.6	-36.8	177.2	-63.1	-173.4	168.3	0	0	111.6
856	D	88.6	Confident	91.5	Very high	67 Å²	67	55.1 Å²	55.1	36%	0.358	26%	0.258	S	S	.	.			trans	-133	85.5	174.9	-171.1	-27.7	0	0	0	110.2	H854 E858 H859	H854-D856 VanDerWaalsContact C-N 3.35Å; H854-D856 VanDerWaalsContact ND1-C 3.27Å; H854-D856 PolarHBondContact ND1-O 3.25Å; D856-E858 PolarHBondContact O-N 2.79Å; D856-E858 PolarHBondContact OD1-N 3.01Å; D856-E858 VanDerWaalsContact OD1-N 3.11Å; D856-H859 IonicContact OD1-CG 2.65Å; D856-H859 PolarHBondContact OD1-N 3.48Å; D856-H859 VanDerWaalsContact OD1-N 3.09Å; D856-H859 IonicContact OD1-ND1 3.1Å; D856-H859 PolarHBondContact OD1-ND1 2.87Å; D856-H859 IonicContact OD2-CE1 2.64Å; D856-H859 IonicContact OD2-CG 2.7Å; D856-H859 IonicContact OD2-ND1 2.63Å; D856-H859 PolarHBondContact OD2-ND1 2.92Å
857	P	86.5	Confident	91.4	Very high	37 Å²	37	56 Å²	56	24%	0.24	26%	0.262	C	S	.	.	S	Bend	trans	-75.7	-2.7	180	31.8	-35.6	0	0	0	113.2	V851 H854	V851-P857 HydrophobicContact CB-CB 4.29Å; H854-P857 HydrophobicContact CB-CB 4.27Å
858	E	83.6	Confident	91.4	Very high	121 Å²	121	52.8 Å²	52.8	57%	0.565	25%	0.25	S	S	*	.	S	Bend	trans	-92.1	-31.2	-174.7	-54.5	-151.3	139.4	0	0	112.8	K623 D856	K623-E858 HydrophobicContact CD-CG 4.34Å; K623-E858 WeakPolarHBondContact CD-OE1 3.36Å; K623-E858 IonicContact NZ-OE1 2.99Å; K623-E858 PolarHBondContact NZ-OE1 3.04Å; K623-E858 IonicContact NZ-OE2 3.86Å; K623-E858 PolarHBondContact NZ-OE2 2.82Å; D856-E858 PolarHBondContact O-N 2.79Å; D856-E858 PolarHBondContact OD1-N 3.01Å; D856-E858 VanDerWaalsContact OD1-N 3.11Å
859	H	85.9	Confident	91.3	Very high	132 Å²	132	55.9 Å²	55.9	61%	0.611	26%	0.263	S	S	*	.	S	Bend	trans	-88.7	-1.5	177.3	-66.5	93.2	0	0	0	114.5	D856 E861	D856-H859 IonicContact OD1-CG 2.65Å; D856-H859 PolarHBondContact OD1-N 3.48Å; D856-H859 VanDerWaalsContact OD1-N 3.09Å; D856-H859 IonicContact OD1-ND1 3.1Å; D856-H859 PolarHBondContact OD1-ND1 2.87Å; D856-H859 IonicContact OD2-CE1 2.64Å; D856-H859 IonicContact OD2-CG 2.7Å; D856-H859 IonicContact OD2-ND1 2.63Å; D856-H859 PolarHBondContact OD2-ND1 2.92Å; H859-E861 PolarHBondContact O-N 2.88Å
860	V	90.6	Very high	91.3	Very high	8 Å²	8	56.1 Å²	56.1	5%	0.048	26%	0.264	C	S	.	.			trans	-68.9	117.6	174.3	-174.4	0	0	0	0	110.1	D564 I566 V599 V851	D564-V860 HydrophobicContact CB-CB 4.33Å; D564-V860 HydrophobicContact CB-CG1 4.11Å; D564-V860 HydrophobicContact CB-CG2 3.95Å; I566-V860 HydrophobicContact CD1-CG1 4.01Å; I566-V860 HydrophobicContact CG1-CG1 4.03Å; V599-V860 HydrophobicContact CG1-CG1 4.13Å; V851-V860 HydrophobicContact CG2-CB 4.46Å; V851-V860 HydrophobicContact CG2-CG1 4.28Å
861	E	90.3	Very high	91.3	Very high	19 Å²	19	57.6 Å²	57.6	9%	0.089	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	139.9	175.4	-64.4	-158.1	125.5	0	0	111.3	R504 Q563 D564 E565 I566 H859	R504-E861 IonicContact CZ-OE1 3.54Å; R504-E861 IonicContact NH1-OE1 3.26Å; R504-E861 PolarHBondContact NH1-OE1 2.8Å; R504-E861 IonicContact NH2-OE1 2.72Å; Q563-E861 PolarHBondContact NE2-OE2 3.47Å; D564-E861 PolarHBondContact O-N 2.79Å; E565-E861 CarbonylContact C-O 3.53Å; E565-E861 WeakPolarHBondContact CA-O 3.3Å; E565-E861 HydrophobicContact CB-CB 4.45Å; E565-E861 HydrophobicContact CG-CB 4.37Å; I566-E861 PolarHBondContact N-O 2.97Å; H859-E861 PolarHBondContact O-N 2.88Å
862	K	92.6	Very high	91.3	Very high	41 Å²	41	57.7 Å²	57.7	18%	0.178	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.3	-175.2	-61.3	166.8	-170.9	-177.5	0	109.9	I566 K623 D624 M626 V849	I566-K862 WeakPolarHBondContact O-CA 3.14Å; K623-K862 PolarHBondContact O-NZ 3.27Å; D624-K862 IonicContact OD1-NZ 3.66Å; D624-K862 PolarHBondContact OD1-NZ 2.78Å; M626-K862 HydrophobicContact CE-CB 4.1Å; M626-K862 HydrophobicContact CE-CD 3.92Å; M626-K862 HydrophobicContact SD-CB 4.45Å; V849-K862 HydrophobicContact CB-CD 4.4Å; V849-K862 HydrophobicContact CG1-CD 4.5Å; V849-K862 HydrophobicContact CG1-CG 4.39Å; V849-K862 WeakPolarHBondContact O-CD 3.44Å; V849-K862 WeakPolarHBondContact O-CE 3.2Å; V849-K862 PolarHBondContact O-NZ 2.83Å
863	W	91.6	Very high	91.6	Very high	103 Å²	103	57.1 Å²	57.1	39%	0.39	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.9	-177.6	-58.3	91.8	0	0	0	110.7	E565 I566 Q567 V568	E565-W863 PolarHBondContact OE1-NE1 2.89Å; I566-W863 PolarHBondContact O-N 2.98Å; Q567-W863 WeakPolarHBondContact CA-O 3.44Å; Q567-W863 HydrophobicContact CG-CB 4.22Å; V568-W863 PolarHBondContact N-O 3.02Å
864	V	93.6	Very high	91.9	Very high	42 Å²	42	51.6 Å²	51.6	26%	0.255	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.2	174.4	175.3	0	0	0	0	109	V568 M626 I846 V849 Y866	V568-V864 WeakPolarHBondContact O-CA 3.11Å; M626-V864 HydrophobicContact CG-CG2 3.99Å; M626-V864 HydrophobicContact SD-CG2 3.78Å; I846-V864 HydrophobicContact CB-CG1 4.12Å; I846-V864 HydrophobicContact CB-CG2 4.33Å; I846-V864 HydrophobicContact CD1-CG1 3.66Å; I846-V864 HydrophobicContact CG1-CG1 4.49Å; I846-V864 HydrophobicContact CG2-CG2 3.92Å; V849-V864 HydrophobicContact CG2-CG2 4.36Å; V864-Y866 HydrophobicContact CG1-CD2 4.17Å; V864-Y866 HydrophobicContact CG1-CE2 3.46Å; V864-Y866 VanDerWaalsContact CG1-CE2 3.46Å
865	R	92.4	Very high	92.2	Very high	78 Å²	78	52.7 Å²	52.7	29%	0.294	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.3	174.2	-173.2	174.3	-177	156.6	5.3	110.7	V568 H569 C570	V568-R865 PolarHBondContact O-N 2.63Å; H569-R865 CarbonylContact C-O 3.55Å; H569-R865 WeakPolarHBondContact CA-O 3.4Å; C570-R865 PolarHBondContact N-O 3.49Å
866	Y	94	Very high	92.5	Very high	23 Å²	23	43.1 Å²	43.1	9%	0.09	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	155.4	172.9	-61.3	-87	0	0	0	111	C570 M628 A839 T844 I846 V864	C570-Y866 HydrophobicContact CB-CD1 3.67Å; C570-Y866 HydrophobicContact CB-CE1 3.9Å; C570-Y866 WeakPolarHBondContact O-CA 3.42Å; M628-Y866 HydrophobicContact CE-CD2 4.4Å; M628-Y866 HydrophobicContact CE-CE2 3.68Å; M628-Y866 HydrophobicContact CG-CE2 4.32Å; M628-Y866 HydrophobicContact SD-CE2 4.11Å; A839-Y866 HydrophobicContact CB-CD1 4.08Å; T844-Y866 VanDerWaalsContact O-CE1 3.28Å; T844-Y866 WeakPolarHBondContact O-CE1 3.41Å; I846-Y866 PolarHBondContact N-OH 3.06Å; V864-Y866 HydrophobicContact CG1-CD2 4.17Å; V864-Y866 HydrophobicContact CG1-CE2 3.46Å; V864-Y866 VanDerWaalsContact CG1-CE2 3.46Å
867	L	93.1	Very high	92.8	Very high	18 Å²	18	41.8 Å²	41.8	9%	0.094	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	119.1	164.7	-175.2	92.2	0	0	0	109.6	W271 C570 Y571 D572 T835 K869	W271-L867 HydrophobicContact CH2-CD1 4.43Å; W271-L867 HydrophobicContact CH2-CD2 3.78Å; W271-L867 HydrophobicContact CZ2-CD2 4.29Å; C570-L867 PolarHBondContact O-N 3.5Å; Y571-L867 WeakPolarHBondContact CA-O 3.3Å; Y571-L867 HydrophobicContact CD1-CB 3.96Å; Y571-L867 HydrophobicContact CD1-CD2 3.85Å; Y571-L867 HydrophobicContact CE1-CB 4.28Å; Y571-L867 HydrophobicContact CE1-CD2 4.07Å; D572-L867 PolarHBondContact N-O 3.04Å; T835-L867 HydrophobicContact CG2-CD1 4.39Å; L867-K869 HydrophobicContact CD2-CD 4.41Å; L867-K869 HydrophobicContact CD2-CG 3.72Å
868	S	94.2	Very high	93	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	139.9	160.5	-65.5	0	0	0	0	110.6	D572 T835 M836 I838 A839 T840	D572-S868 WeakPolarHBondContact CB-OG 3.41Å; D572-S868 CarbonylContact O-C 3.55Å; D572-S868 WeakPolarHBondContact O-CA 3.39Å; D572-S868 PolarHBondContact OD2-OG 2.68Å; T835-S868 CarbonylContact C-O 3.6Å; T835-S868 VanDerWaalsContact CA-O 3.23Å; T835-S868 WeakPolarHBondContact CA-O 3.3Å; T835-S868 WeakPolarHBondContact CB-O 3.16Å; M836-S868 PolarHBondContact N-O 3.13Å; M836-S868 PolarHBondContact O-N 2.96Å; I838-S868 PolarHBondContact O-OG 3.27Å; A839-S868 WeakPolarHBondContact CA-OG 3.35Å; T840-S868 PolarHBondContact N-OG 3.2Å; T840-S868 PolarHBondContact OG1-OG 2.97Å
869	K	94.4	Very high	93.3	Very high	70 Å²	70	36.1 Å²	36.1	30%	0.304	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.7	169.8	-61.2	179.1	-168.4	159.4	0	108.6	D572 E573 Y574 L867	D572-K869 PolarHBondContact O-N 3.18Å; E573-K869 HydrophobicContact CG-CD 4.45Å; E573-K869 IonicContact OE1-NZ 2.7Å; Y574-K869 PolarHBondContact N-O 3.39Å; L867-K869 HydrophobicContact CD2-CD 4.41Å; L867-K869 HydrophobicContact CD2-CG 3.72Å
870	Y	95.4	Very high	93.2	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.027	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	136	-179.5	-79.3	-98.3	0	0	0	110.7	Y574 P682 E833 F834 M836 T840 V841 Y872	Y574-Y870 AromaticContact CD1-CD1 3.52Å; Y574-Y870 HydrophobicContact CD1-CD1 3.52Å; Y574-Y870 AromaticContact CD1-CE1 3.61Å; Y574-Y870 HydrophobicContact CD1-CE1 3.61Å; Y574-Y870 HydrophobicContact CE1-CD1 4.27Å; Y574-Y870 HydrophobicContact CE1-CE1 4.16Å; Y574-Y870 HydrophobicContact CG-CD1 4.33Å; Y574-Y870 HydrophobicContact CG-CE1 4.28Å; P682-Y870 HydrophobicContact CG-CE1 3.84Å; E833-Y870 WeakPolarHBondContact CA-O 3.38Å; F834-Y870 HydrophobicContact CD2-CD2 4.04Å; F834-Y870 HydrophobicContact CD2-CG 4.1Å; F834-Y870 VanDerWaalsContact CE1-CB 3.45Å; F834-Y870 HydrophobicContact CE1-CD1 4.18Å; F834-Y870 AromaticContact CE1-CG 3.94Å; F834-Y870 HydrophobicContact CE1-CG 3.94Å; F834-Y870 AromaticContact CE2-CD1 3.99Å; F834-Y870 HydrophobicContact CE2-CD1 3.99Å; F834-Y870 AromaticContact CE2-CD2 3.52Å; F834-Y870 HydrophobicContact CE2-CD2 3.52Å; F834-Y870 HydrophobicContact CE2-CE1 4.5Å; F834-Y870 HydrophobicContact CE2-CE2 4.08Å; F834-Y870 AromaticContact CE2-CG 3.46Å; F834-Y870 HydrophobicContact CE2-CG 3.46Å; F834-Y870 VanDerWaalsContact CE2-CG 3.46Å; F834-Y870 VanDerWaalsContact CZ-CB 3.44Å; F834-Y870 AromaticContact CZ-CD1 3.53Å; F834-Y870 HydrophobicContact CZ-CD1 3.53Å; F834-Y870 AromaticContact CZ-CD2 3.94Å; F834-Y870 HydrophobicContact CZ-CD2 3.94Å; F834-Y870 HydrophobicContact CZ-CE1 4.2Å; F834-Y870 AromaticContact CZ-CG 3.37Å; F834-Y870 HydrophobicContact CZ-CG 3.37Å; F834-Y870 PolarHBondContact N-O 3.15Å; F834-Y870 VanDerWaalsContact N-O 3.15Å; F834-Y870 PolarHBondContact O-N 3.39Å; M836-Y870 HydrophobicContact CB-CE2 4.42Å; M836-Y870 HydrophobicContact CG-CD2 4.14Å; M836-Y870 HydrophobicContact CG-CE2 3.81Å; M836-Y870 HydrophobicContact SD-CD2 4.22Å; M836-Y870 HydrophobicContact SD-CE2 3.44Å; M836-Y870 WeakPolarHBondContact SD-CE2 3.3Å; T840-Y870 WeakPolarHBondContact CB-OH 3.47Å; T840-Y870 WeakPolarHBondContact OG1-CE2 3.41Å; T840-Y870 PolarHBondContact OG1-OH 3.13Å; V841-Y870 HydrophobicContact CG2-CE1 3.85Å; V841-Y870 HydrophobicContact CG2-CE2 4.45Å; V841-Y870 VanDerWaalsContact CG2-OH 3.23Å; V841-Y870 WeakPolarHBondContact CG2-OH 3.45Å; Y870-Y872 AromaticContact CD1-CE1 3.72Å; Y870-Y872 HydrophobicContact CD1-CE1 3.72Å; Y870-Y872 AromaticContact CD1-CZ 3.84Å; Y870-Y872 WeakPolarHBondContact CD1-OH 2.87Å; Y870-Y872 HydrophobicContact CE1-CE1 4.48Å
871	S	95.2	Very high	92.6	Very high	39 Å²	39	37.5 Å²	37.5	27%	0.273	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	120.5	172.1	-173.9	0	0	0	0	109.6	Y574 V575 A576 V832	Y574-S871 PolarHBondContact O-N 3.15Å; V575-S871 VanDerWaalsContact CA-O 3.3Å; V575-S871 WeakPolarHBondContact CA-O 3.34Å; A576-S871 PolarHBondContact N-O 3.32Å; A576-S871 VanDerWaalsContact N-O 3.08Å; V832-S871 CarbonylContact O-C 3.56Å; V832-S871 VanDerWaalsContact O-CA 3.31Å; V832-S871 WeakPolarHBondContact O-CA 3.19Å
872	Y	95.8	Very high	91.8	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.1	177.2	-54.3	-27.3	0	0	0	111.9	Y574 A576 V578 L681 L683 E831 V832 F834 Y870	Y574-Y872 AromaticContact CD1-CE1 3.93Å; Y574-Y872 HydrophobicContact CD1-CE1 3.93Å; Y574-Y872 AromaticContact CE1-CE1 3.76Å; Y574-Y872 HydrophobicContact CE1-CE1 3.76Å; A576-Y872 HydrophobicContact CB-CD1 4.05Å; A576-Y872 HydrophobicContact CB-CE1 4.36Å; A576-Y872 VanDerWaalsContact O-CA 3.28Å; A576-Y872 WeakPolarHBondContact O-CA 3.45Å; V578-Y872 HydrophobicContact CG2-CG 4.33Å; L681-Y872 HydrophobicContact CB-CE2 4.43Å; L681-Y872 HydrophobicContact CD1-CD2 4.48Å; L681-Y872 HydrophobicContact CD1-CE2 4.01Å; L681-Y872 HydrophobicContact CD2-CE1 4.1Å; L683-Y872 HydrophobicContact CB-CE2 4.46Å; L683-Y872 WeakPolarHBondContact O-CE2 3.38Å; E831-Y872 WeakPolarHBondContact CA-O 3.32Å; V832-Y872 HydrophobicContact CB-CD2 4.41Å; V832-Y872 PolarHBondContact N-O 3.19Å; V832-Y872 PolarHBondContact O-N 2.86Å; F834-Y872 HydrophobicContact CE1-CD2 4.24Å; F834-Y872 HydrophobicContact CE1-CE1 4.45Å; F834-Y872 AromaticContact CE1-CE2 3.61Å; F834-Y872 HydrophobicContact CE1-CE2 3.61Å; F834-Y872 AromaticContact CE1-CZ 3.72Å; F834-Y872 HydrophobicContact CZ-CE2 4.08Å; F834-Y872 AromaticContact CZ-CZ 3.84Å; F834-Y872 WeakPolarHBondContact CZ-OH 3.47Å; Y870-Y872 AromaticContact CD1-CE1 3.72Å; Y870-Y872 HydrophobicContact CD1-CE1 3.72Å; Y870-Y872 AromaticContact CD1-CZ 3.84Å; Y870-Y872 WeakPolarHBondContact CD1-OH 2.87Å; Y870-Y872 HydrophobicContact CE1-CE1 4.48Å
873	T	96.3	Very high	90.6	Very high	44 Å²	44	47 Å²	47	27%	0.27	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	107.5	160.5	-34.4	0	0	0	0	107.1	A576 D577 V578 T829	A576-T873 PolarHBondContact O-N 3.45Å; D577-T873 CarbonylContact C-O 3.47Å; D577-T873 WeakPolarHBondContact CA-O 3.21Å; D577-T873 WeakPolarHBondContact OD1-CB 3.16Å; D577-T873 PolarHBondContact OD1-OG1 3.2Å; V578-T873 PolarHBondContact N-O 3.01Å; T829-T873 HydrophobicContact CG2-CG2 3.79Å
874	V	96.8	Very high	89.2	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.2	-176.9	-172.8	0	0	0	0	109.4	V578 I685 T829 C830 V832	V578-V874 HydrophobicContact CB-CB 4.5Å; V578-V874 HydrophobicContact CB-CG1 4.38Å; V578-V874 HydrophobicContact CB-CG2 4.18Å; V578-V874 HydrophobicContact CG2-CG2 4.38Å; I685-V874 HydrophobicContact CB-CG2 4.41Å; T829-V874 CarbonylContact C-O 3.56Å; T829-V874 WeakPolarHBondContact CA-O 3.21Å; C830-V874 PolarHBondContact N-O 2.98Å; C830-V874 PolarHBondContact O-N 3.32Å; V832-V874 HydrophobicContact CG2-CG2 3.97Å
875	E	96.5	Very high	87.4	Confident	50 Å²	50	48 Å²	48	23%	0.234	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.5	176	-67.1	-176.9	147.5	0	0	111.8	V578 S579 R580 K585 P828 T829	V578-E875 PolarHBondContact O-N 3.02Å; S579-E875 WeakPolarHBondContact CA-OE2 3.32Å; R580-E875 HydrophobicContact CB-CB 4.29Å; R580-E875 PolarHBondContact N-OE2 3.46Å; K585-E875 WeakPolarHBondContact CE-OE2 3.48Å; K585-E875 IonicContact NZ-OE1 3.96Å; K585-E875 PolarHBondContact NZ-OE1 3.29Å; K585-E875 IonicContact NZ-OE2 2.6Å; K585-E875 PolarHBondContact NZ-OE2 3.25Å; P828-E875 WeakPolarHBondContact O-CA 3.42Å; T829-E875 HydrophobicContact CG2-CG 4.34Å
876	I	95.9	Very high	85.2	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-90.3	134	175.8	-59.9	163.7	0	0	0	108.9	A687 F724 P725 P828 C830 Y878	A687-I876 HydrophobicContact CB-CG1 4.18Å; A687-I876 WeakPolarHBondContact O-CA 3.49Å; F724-I876 HydrophobicContact CD2-CD1 4.13Å; F724-I876 HydrophobicContact CD2-CG1 4.42Å; F724-I876 HydrophobicContact CE2-CB 4.49Å; F724-I876 HydrophobicContact CE2-CD1 3.76Å; F724-I876 HydrophobicContact CE2-CG1 3.94Å; F724-I876 HydrophobicContact CE2-CG2 3.71Å; F724-I876 HydrophobicContact CZ-CD1 4.02Å; F724-I876 HydrophobicContact CZ-CG2 3.88Å; P725-I876 HydrophobicContact CG-CD1 3.82Å; P828-I876 PolarHBondContact O-N 3.02Å; C830-I876 HydrophobicContact CB-CD1 4.02Å; C830-I876 HydrophobicContact CB-CG1 4.06Å; I876-Y878 HydrophobicContact CB-CD2 4.31Å; I876-Y878 HydrophobicContact CB-CE2 3.63Å; I876-Y878 WeakPolarHBondContact CD1-OH 3.28Å; I876-Y878 HydrophobicContact CG2-CD2 4.05Å; I876-Y878 HydrophobicContact CG2-CE1 4.06Å; I876-Y878 HydrophobicContact CG2-CE2 3.53Å
877	D	94	Very high	82.7	Confident	39 Å²	39	55 Å²	55	21%	0.209	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.6	173	-159.5	33.2	0	0	0	110.8	R580 A687 T688 M689 V879	R580-D877 HydrophobicContact CB-CB 4.29Å; R580-D877 WeakPolarHBondContact CD-OD1 3.43Å; R580-D877 IonicContact CZ-OD1 3.56Å; R580-D877 IonicContact NE-OD1 3.81Å; R580-D877 IonicContact NH1-OD1 2.67Å; R580-D877 PolarHBondContact NH1-OD1 3.14Å; A687-D877 PolarHBondContact O-N 3.06Å; T688-D877 CarbonylContact C-O 3.59Å; T688-D877 WeakPolarHBondContact CA-O 3.13Å; T688-D877 HydrophobicContact CG2-CB 4.37Å; M689-D877 PolarHBondContact N-O 3.46Å; D877-V879 HydrophobicContact CB-CG2 4.35Å; D877-V879 WeakPolarHBondContact OD2-CG2 3.2Å
878	Y	90.9	Very high	79.8	Confident	25 Å²	25	59.1 Å²	59.1	10%	0.098	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.4	179.9	-72.7	-79.1	0	0	0	109.8	M689 F826 I827 I876 H908	M689-Y878 HydrophobicContact CB-CD1 3.88Å; M689-Y878 HydrophobicContact CB-CE1 3.87Å; M689-Y878 HydrophobicContact CE-CD1 3.99Å; M689-Y878 HydrophobicContact CE-CE1 3.82Å; M689-Y878 HydrophobicContact CG-CE1 4.46Å; M689-Y878 HydrophobicContact SD-CE1 3.98Å; F826-Y878 HydrophobicContact CB-CD1 4.22Å; F826-Y878 HydrophobicContact CB-CD2 4.37Å; F826-Y878 HydrophobicContact CB-CE1 3.65Å; F826-Y878 HydrophobicContact CB-CE2 3.8Å; F826-Y878 VanDerWaalsContact CB-CZ 3.43Å; F826-Y878 HydrophobicContact CD1-CE1 4.03Å; F826-Y878 AromaticContact CD2-CD1 3.74Å; F826-Y878 HydrophobicContact CD2-CD1 3.74Å; F826-Y878 AromaticContact CD2-CE1 3.9Å; F826-Y878 HydrophobicContact CD2-CE1 3.9Å; F826-Y878 HydrophobicContact CD2-CG 4.22Å; F826-Y878 HydrophobicContact CE2-CD1 4.29Å; F826-Y878 AromaticContact CG-CD1 3.93Å; F826-Y878 HydrophobicContact CG-CD1 3.93Å; F826-Y878 AromaticContact CG-CE1 3.58Å; F826-Y878 HydrophobicContact CG-CE1 3.58Å; F826-Y878 AromaticContact CG-CZ 3.93Å; I827-Y878 PolarHBondContact O-OH 3.35Å; I827-Y878 VanDerWaalsContact O-OH 3.06Å; I876-Y878 HydrophobicContact CB-CD2 4.31Å; I876-Y878 HydrophobicContact CB-CE2 3.63Å; I876-Y878 WeakPolarHBondContact CD1-OH 3.28Å; I876-Y878 HydrophobicContact CG2-CD2 4.05Å; I876-Y878 HydrophobicContact CG2-CE1 4.06Å; I876-Y878 HydrophobicContact CG2-CE2 3.53Å; Y878-H908 PolarHBondContact O-N 2.97Å
879	V	88.9	Confident	76.9	Confident	13 Å²	13	65 Å²	65	8%	0.079	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	119	-164.6	-169.8	0	0	0	0	109.5	T688 M689 N690 I691 D877 V905	T688-V879 HydrophobicContact CG2-CG2 3.71Å; M689-V879 PolarHBondContact O-N 3.29Å; N690-V879 CarbonylContact C-O 3.53Å; N690-V879 WeakPolarHBondContact CA-O 3.45Å; I691-V879 PolarHBondContact N-O 3.01Å; D877-V879 HydrophobicContact CB-CG2 4.35Å; D877-V879 WeakPolarHBondContact OD2-CG2 3.2Å; V879-V905 HydrophobicContact CG1-CB 4.29Å; V879-V905 HydrophobicContact CG1-CG1 3.43Å; V879-V905 VanDerWaalsContact CG1-CG1 3.43Å
880	Q	85.1	Confident	74.2	Confident	128 Å²	128	68 Å²	68	60%	0.598	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.2	173.7	-166.4	173.1	6.6	0	0	108.9	I691	I691-Q880 WeakPolarHBondContact O-CA 3.41Å
881	T	77.8	Confident	71.7	Confident	41 Å²	41	70.6 Å²	70.6	25%	0.252	39%	0.394	S	S	.	.			trans	-135.8	137.5	-167	-39.4	0	0	0	0	111.2	I691 M692 E883	I691-T881 PolarHBondContact O-N 3.03Å; M692-T881 WeakPolarHBondContact CA-O 3.4Å; M692-T881 VanDerWaalsContact CB-O 3.31Å; M692-T881 WeakPolarHBondContact CB-O 3.28Å; M692-T881 VanDerWaalsContact CG-O 3.28Å; M692-T881 WeakPolarHBondContact CG-O 3.48Å; T881-E883 VanDerWaalsContact C-N 3.34Å; T881-E883 WeakPolarHBondContact CG2-O 3.47Å
882	S	73.2	Confident	69.3	Low	119 Å²	119	71 Å²	71	83%	0.832	40%	0.395	S	S	*	.	S	Bend	trans	-77.7	-17.9	177.2	-48.2	0	0	0	0	114
883	E	67.3	Low	66.9	Low	140 Å²	140	72.2 Å²	72.2	65%	0.654	40%	0.403	S	S	*	.			trans	-134.7	117.5	-178.7	-63.9	176.8	152	0	0	109.4	T881	T881-E883 VanDerWaalsContact C-N 3.34Å; T881-E883 WeakPolarHBondContact CG2-O 3.47Å
884	L	63.2	Low	64.6	Low	28 Å²	28	75.5 Å²	75.5	15%	0.147	42%	0.418	C	S	.	.			trans	-78.5	143.3	159.6	-69.1	178.7	0	0	0	108.8	N690 M692 K695 E697 I886	N690-L884 HydrophobicContact CB-CD2 3.63Å; M692-L884 HydrophobicContact CB-CD1 4.23Å; M692-L884 HydrophobicContact CB-CD2 4.3Å; M692-L884 HydrophobicContact CB-CG 3.83Å; M692-L884 HydrophobicContact CE-CB 4.18Å; M692-L884 HydrophobicContact CE-CD1 3.86Å; M692-L884 HydrophobicContact CE-CG 3.85Å; M692-L884 HydrophobicContact CG-CG 4.46Å; M692-L884 HydrophobicContact SD-CB 4.14Å; M692-L884 HydrophobicContact SD-CD1 4.48Å; M692-L884 HydrophobicContact SD-CG 3.85Å; M692-L884 PolarHBondContact SD-N 2.7Å; K695-L884 HydrophobicContact CB-CD1 3.79Å; E697-L884 HydrophobicContact CB-CD2 4.16Å; L884-I886 VanDerWaalsContact C-N 3.32Å; L884-I886 HydrophobicContact CB-CD1 4.39Å; L884-I886 HydrophobicContact CB-CG1 3.98Å; L884-I886 PolarHBondContact O-N 3.19Å
885	Q	55.6	Low	62.2	Low	140 Å²	140	76.6 Å²	76.6	65%	0.654	43%	0.425	S	S	*	.			trans	-73.9	87.6	172.4	-72.4	-179.5	-21.8	0	0	109.9	R813 D887	R813-Q885 PolarHBondContact NH2-O 2.77Å; Q885-D887 VanDerWaalsContact C-N 3.31Å
886	I	46.4	Very low	59.6	Low	117 Å²	117	78.4 Å²	78.4	60%	0.6	44%	0.436	S	S	*	.			trans	-98	38.3	174.9	-38.7	-179.1	0	0	0	110.5	L884	L884-I886 VanDerWaalsContact C-N 3.32Å; L884-I886 HydrophobicContact CB-CD1 4.39Å; L884-I886 HydrophobicContact CB-CG1 3.98Å; L884-I886 PolarHBondContact O-N 3.19Å
887	D	40.3	Very low	57	Low	130 Å²	130	82.2 Å²	82.2	70%	0.695	46%	0.461	S	S	*	.			trans	-98.3	133.9	174.6	-88.2	-54.5	0	0	0	112.4	Q885 I889	Q885-D887 VanDerWaalsContact C-N 3.31Å; D887-I889 HydrophobicContact CB-CG1 4.14Å; D887-I889 PolarHBondContact O-N 3.03Å
888	A	32.3	Very low	54.7	Low	105 Å²	105	87.2 Å²	87.2	87%	0.868	48%	0.483	S	S	*	.			trans	-81.9	52.7	179.1	0	0	0	0	0	112
889	I	34.2	Very low	52.5	Low	124 Å²	124	90.4 Å²	90.4	64%	0.636	51%	0.514	S	S	*	.			trans	-64.1	138.7	173.9	-59.3	-179.8	0	0	0	109.3	D887 D891 P892	D887-I889 HydrophobicContact CB-CG1 4.14Å; D887-I889 PolarHBondContact O-N 3.03Å; I889-D891 PolarHBondContact O-N 3.2Å; I889-P892 WeakPolarHBondContact O-CD 3.31Å
890	T	37.6	Very low	50.5	Low	133 Å²	133	94.1 Å²	94.1	82%	0.816	54%	0.537	S	S	*	.	S	Bend	trans	-60.2	118.3	-177.7	-41.6	0	0	0	0	111.4
891	D	41.7	Very low	48.6	Very low	61 Å²	61	95 Å²	95	33%	0.326	55%	0.546	S	S	.	.			trans	57.8	69.3	-175.7	-149.6	-34	0	0	0	115.8	I889 T893 I894	I889-D891 PolarHBondContact O-N 3.2Å; D891-T893 PolarHBondContact O-N 2.9Å; D891-T893 WeakPolarHBondContact OD1-CB 3.47Å; D891-T893 PolarHBondContact OD1-N 3.01Å; D891-T893 PolarHBondContact OD1-OG1 2.82Å; D891-I894 HydrophobicContact CB-CD1 4.34Å; D891-I894 PolarHBondContact O-N 3.46Å; D891-I894 VanDerWaalsContact O-N 3.14Å; D891-I894 PolarHBondContact OD1-N 3.39Å
892	P	44.9	Very low	46.8	Very low	46 Å²	46	102 Å²	102	30%	0.299	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.4	25.3	178	38.8	-35.8	0	0	0	112.2	L809 K811 I889	L809-P892 WeakPolarHBondContact CD2-O 3.07Å; K811-P892 PolarHBondContact NZ-O 2.9Å; I889-P892 WeakPolarHBondContact O-CD 3.31Å
893	T	45.7	Very low	45.3	Very low	30 Å²	30	104.1 Å²	104.1	18%	0.184	57%	0.569	C	S	.	*	T	Hydrogen-bonded Turn	trans	-111.6	-8.9	171.9	14.4	0	0	0	0	111.7	A777 L809 D891	A777-T893 HydrophobicContact CB-CG2 3.9Å; L809-T893 HydrophobicContact CB-CG2 4.29Å; D891-T893 PolarHBondContact O-N 2.9Å; D891-T893 WeakPolarHBondContact OD1-CB 3.47Å; D891-T893 PolarHBondContact OD1-N 3.01Å; D891-T893 PolarHBondContact OD1-OG1 2.82Å
894	I	47.6	Very low	43.9	Very low	112 Å²	112	107.1 Å²	107.1	57%	0.574	58%	0.584	S	S	*	*	S	Bend	trans	-106.5	114.2	167.1	-59.8	172.4	0	0	0	107.4	D891	D891-I894 HydrophobicContact CB-CD1 4.34Å; D891-I894 PolarHBondContact O-N 3.46Å; D891-I894 VanDerWaalsContact O-N 3.14Å; D891-I894 PolarHBondContact OD1-N 3.39Å
895	V	47.3	Very low	43.1	Very low	25 Å²	25	109.4 Å²	109.4	15%	0.152	60%	0.598	C	S	.	*			trans	-100.5	109.7	175	-179.3	0	0	0	0	107.8	P897	V895-P897 WeakPolarHBondContact O-CD 3.33Å
896	N	41.3	Very low	42.3	Very low	88 Å²	88	108 Å²	108	47%	0.471	60%	0.599	S	S	.	*			trans	-70.2	116.2	164.7	-179	12.3	0	0	0	107.5	E898 A899	N896-E898 PolarHBondContact ND2-OE2 3.38Å; N896-E898 PolarHBondContact O-N 2.87Å; N896-E898 VanDerWaalsContact O-N 3.14Å; N896-A899 PolarHBondContact O-N 3.29Å
897	P	42.4	Very low	42.2	Very low	83 Å²	83	106 Å²	106	54%	0.539	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-56.1	-33.3	-173.4	19.5	-33.7	0	0	0	113.9	V895 A899 T900	V895-P897 WeakPolarHBondContact O-CD 3.33Å; P897-A899 PolarHBondContact O-N 2.81Å; P897-T900 PolarHBondContact O-N 2.97Å; P897-T900 PolarHBondContact O-OG1 3.46Å
898	E	45	Very low	42.7	Very low	144 Å²	144	104 Å²	104	67%	0.673	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-57.4	-33.6	-178.4	-60.3	176.4	138.8	0	0	113.2	N896 T900	N896-E898 PolarHBondContact ND2-OE2 3.38Å; N896-E898 PolarHBondContact O-N 2.87Å; N896-E898 VanDerWaalsContact O-N 3.14Å; E898-T900 PolarHBondContact O-N 2.9Å; E898-T900 VanDerWaalsContact O-N 3.13Å
899	A	44	Very low	43.4	Very low	91 Å²	91	107.5 Å²	107.5	75%	0.752	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-76.1	2.9	-174.5	0	0	0	0	0	114.6	N896 P897	N896-A899 PolarHBondContact O-N 3.29Å; P897-A899 PolarHBondContact O-N 2.81Å
900	T	46.9	Very low	43.6	Very low	91 Å²	91	105.5 Å²	105.5	56%	0.558	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-111.2	4.4	-171	-31	0	0	0	0	113.4	P897 E898	P897-T900 PolarHBondContact O-N 2.97Å; P897-T900 PolarHBondContact O-OG1 3.46Å; E898-T900 PolarHBondContact O-N 2.9Å; E898-T900 VanDerWaalsContact O-N 3.13Å
901	L	45.9	Very low	43.9	Very low	148 Å²	148	108.6 Å²	108.6	78%	0.775	58%	0.575	S	S	*	*	S	Bend	trans	-93.3	-3.1	-166.6	-77.2	162.4	0	0	0	116.2
902	E	39.7	Very low	43.8	Very low	188 Å²	188	108.6 Å²	108.6	88%	0.879	57%	0.574	S	S	*	*	S	Bend	trans	-113.5	19.2	-163.5	-60.5	-164.6	147.1	0	0	116.8
903	K	42.2	Very low	44.1	Very low	162 Å²	162	110.5 Å²	110.5	70%	0.704	58%	0.582	S	S	*	*			trans	-134.1	115.4	171.2	-84	-172.4	173	-177	0	112.8	V905	K903-V905 HydrophobicContact CB-CG2 4.23Å
904	E	38.8	Very low	44.3	Very low	204 Å²	204	111.9 Å²	111.9	95%	0.953	59%	0.59	S	S	*	*			trans	-66.6	135.4	154.7	-65.7	-172.4	132	0	0	108.9
905	V	44.8	Very low	44.7	Very low	76 Å²	76	110.3 Å²	110.3	46%	0.461	58%	0.583	S	S	.	*			trans	-131.4	142.4	179.4	-164.5	0	0	0	0	110.3	V879 K903 V907	V879-V905 HydrophobicContact CG1-CB 4.29Å; V879-V905 HydrophobicContact CG1-CG1 3.43Å; V879-V905 VanDerWaalsContact CG1-CG1 3.43Å; K903-V905 HydrophobicContact CB-CG2 4.23Å; V905-V907 PolarHBondContact O-N 2.68Å
906	T	39.4	Very low	45.2	Very low	110 Å²	110	112.2 Å²	112.2	68%	0.675	60%	0.595	S	S	*	*			trans	-74.1	111.8	-176.5	45.6	0	0	0	0	112
907	V	45.1	Very low	45.7	Very low	76 Å²	76	108.1 Å²	108.1	46%	0.461	57%	0.573	S	S	.	*	B	Isolated β-bridge	trans	-70.9	132	178.4	176.7	0	0	0	0	111.7	R580 V905 K909	R580-V907 VanDerWaalsContact NH1-CG1 3.3Å; V905-V907 PolarHBondContact O-N 2.68Å; V907-K909 PolarHBondContact O-N 3.44Å
908	H	49.8	Very low	46.3	Very low	86 Å²	86	108 Å²	108	40%	0.398	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-65.4	124	170.3	-174.2	-13.7	0	0	0	110.4	Y878	Y878-H908 PolarHBondContact O-N 2.97Å
909	K	46.7	Very low	46.9	Very low	179 Å²	179	107.7 Å²	107.7	78%	0.778	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-90.9	127.7	170.1	-63	176.2	-176.3	173.9	0	109.2	V907	V907-K909 PolarHBondContact O-N 3.44Å
910	P	39.2	Very low	47.2	Very low	83 Å²	83	107.8 Å²	107.8	54%	0.539	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-76.3	143.6	168.2	31.7	-33.1	0	0	0	110.2
911	E	43	Very low	47.3	Very low	197 Å²	197	105.5 Å²	105.5	92%	0.921	53%	0.533	S	S	*	.	S	Bend	trans	-87.2	-7.9	173.5	-61.8	-164.4	128.3	0	0	113.1
912	I	39.9	Very low	47.3	Very low	62 Å²	62	104.1 Å²	104.1	32%	0.318	52%	0.523	S	S	.	.	S	Bend	trans	-119.4	145.2	-174.3	-59	173.3	0	0	0	109.6	E824 T914 V916	E824-I912 HydrophobicContact CB-CD1 4.27Å; I912-T914 PolarHBondContact O-N 2.87Å; I912-V916 HydrophobicContact CG2-CB 4.01Å; I912-V916 HydrophobicContact CG2-CG1 4.07Å
913	D	51.3	Low	47.2	Very low	85 Å²	85	98 Å²	98	46%	0.455	51%	0.51	S	S	.	.			trans	-61.9	130.7	174.8	-179.3	8.7	0	0	0	111.5	N915 V916 A917	D913-N915 PolarHBondContact O-N 2.81Å; D913-N915 PolarHBondContact OD1-N 3.06Å; D913-N915 PolarHBondContact OD1-ND2 2.91Å; D913-N915 VanDerWaalsContact OD1-ND2 3.11Å; D913-N915 PolarHBondContact OD2-ND2 2.82Å; D913-V916 HydrophobicContact CB-CG2 4.36Å; D913-V916 PolarHBondContact O-N 2.66Å; D913-A917 PolarHBondContact O-N 2.6Å; D913-A917 VanDerWaalsContact O-N 3.16Å
914	T	49.8	Very low	46.6	Very low	59 Å²	59	98.8 Å²	98.8	36%	0.362	51%	0.51	S	S	.	.	H	α-helix	trans	-44.4	-25.9	168.9	61.9	0	0	0	0	115.6	P828 I912 K918	P828-T914 HydrophobicContact CG-CG2 4.31Å; I912-T914 PolarHBondContact O-N 2.87Å; T914-K918 WeakPolarHBondContact O-CE 3.36Å; T914-K918 WeakPolarHBondContact O-CG 3.39Å
915	N	56.9	Low	46.7	Very low	80 Å²	80	98.9 Å²	98.9	43%	0.428	50%	0.501	S	S	.	.	H	α-helix	trans	-77.7	-46	176.3	-58.7	-54.7	0	0	0	111.8	D913 A917 K918 E919	D913-N915 PolarHBondContact O-N 2.81Å; D913-N915 PolarHBondContact OD1-N 3.06Å; D913-N915 PolarHBondContact OD1-ND2 2.91Å; D913-N915 VanDerWaalsContact OD1-ND2 3.11Å; D913-N915 PolarHBondContact OD2-ND2 2.82Å; N915-A917 VanDerWaalsContact C-N 3.25Å; N915-A917 PolarHBondContact O-N 2.64Å; N915-K918 WeakPolarHBondContact O-CB 3.42Å; N915-K918 PolarHBondContact O-N 2.75Å; N915-E919 PolarHBondContact O-N 2.97Å
916	V	57.3	Low	46.3	Very low	64 Å²	64	100.9 Å²	100.9	39%	0.388	51%	0.508	S	S	.	.	H	α-helix	trans	-60.7	-37.4	175.8	178.7	0	0	0	0	110.9	I912 D913 K918 E919 L920	I912-V916 HydrophobicContact CG2-CB 4.01Å; I912-V916 HydrophobicContact CG2-CG1 4.07Å; D913-V916 HydrophobicContact CB-CG2 4.36Å; D913-V916 PolarHBondContact O-N 2.66Å; V916-K918 VanDerWaalsContact C-N 3.28Å; V916-K918 PolarHBondContact O-N 3.18Å; V916-E919 PolarHBondContact O-N 3.48Å; V916-L920 HydrophobicContact CG1-CD1 4.06Å; V916-L920 PolarHBondContact O-N 2.8Å
917	A	52	Low	46.3	Very low	3 Å²	3	102.2 Å²	102.2	3%	0.025	51%	0.511	C	S	.	.	H	α-helix	trans	-60.3	-33.2	174.3	0	0	0	0	0	113.5	A825 D913 N915 H921	A825-A917 HydrophobicContact CB-CB 3.67Å; D913-A917 PolarHBondContact O-N 2.6Å; D913-A917 VanDerWaalsContact O-N 3.16Å; N915-A917 VanDerWaalsContact C-N 3.25Å; N915-A917 PolarHBondContact O-N 2.64Å; A917-H921 PolarHBondContact O-ND1 3.16Å
918	K	55.4	Low	46.2	Very low	81 Å²	81	102 Å²	102	35%	0.352	50%	0.504	S	S	.	.	H	α-helix	trans	-72.5	-47.6	175.8	-65.4	161.7	-169.9	163.8	0	110.8	T914 N915 V916 L920 H921 E922	T914-K918 WeakPolarHBondContact O-CE 3.36Å; T914-K918 WeakPolarHBondContact O-CG 3.39Å; N915-K918 WeakPolarHBondContact O-CB 3.42Å; N915-K918 PolarHBondContact O-N 2.75Å; V916-K918 VanDerWaalsContact C-N 3.28Å; V916-K918 PolarHBondContact O-N 3.18Å; K918-L920 PolarHBondContact O-N 3.48Å; K918-H921 PolarHBondContact O-N 3.34Å; K918-E922 PolarHBondContact O-N 3.33Å; K918-E922 VanDerWaalsContact O-N 3.15Å
919	E	56.1	Low	45.8	Very low	137 Å²	137	100.1 Å²	100.1	64%	0.64	50%	0.501	S	S	*	.	H	α-helix	trans	-60.3	-43.7	-179.5	-66.5	-179.2	170.5	0	0	112.3	N915 V916 H921 E922 G923	N915-E919 PolarHBondContact O-N 2.97Å; V916-E919 PolarHBondContact O-N 3.48Å; E919-H921 VanDerWaalsContact C-N 3.28Å; E919-H921 PolarHBondContact O-N 3.01Å; E919-E922 PolarHBondContact O-N 3.07Å; E919-E922 VanDerWaalsContact O-N 3.13Å; E919-G923 PolarHBondContact O-N 2.9Å
920	L	51.8	Low	45.8	Very low	93 Å²	93	95.9 Å²	95.9	49%	0.487	49%	0.491	S	S	.	.	H	α-helix	trans	-56.7	-39.8	175.9	-91.3	160.7	0	0	0	112.9	V916 K918	V916-L920 HydrophobicContact CG1-CD1 4.06Å; V916-L920 PolarHBondContact O-N 2.8Å; K918-L920 PolarHBondContact O-N 3.48Å
921	H	48.6	Very low	46.1	Very low	42 Å²	42	95.8 Å²	95.8	19%	0.194	50%	0.498	C	S	.	.	H	α-helix	trans	-76.7	-24.7	179	-75.6	82.4	0	0	0	113	R788 A917 K918 E919 G923	R788-H921 PolarHBondContact NH1-O 3.32Å; A917-H921 PolarHBondContact O-ND1 3.16Å; K918-H921 PolarHBondContact O-N 3.34Å; E919-H921 VanDerWaalsContact C-N 3.28Å; E919-H921 PolarHBondContact O-N 3.01Å; H921-G923 VanDerWaalsContact C-N 3.32Å
922	E	46.3	Very low	46.2	Very low	120 Å²	120	91.7 Å²	91.7	56%	0.561	48%	0.479	S	S	*	.	H	α-helix	trans	-79.1	-12.5	177.5	-70.6	-179.2	177.9	0	0	113.2	K535 K918 E919	K535-E922 IonicContact NZ-OE1 2.75Å; K535-E922 PolarHBondContact NZ-OE1 3Å; K918-E922 PolarHBondContact O-N 3.33Å; K918-E922 VanDerWaalsContact O-N 3.15Å; E919-E922 PolarHBondContact O-N 3.07Å; E919-E922 VanDerWaalsContact O-N 3.13Å
923	G	36.6	Very low	46.6	Very low	59 Å²	59	94.1 Å²	94.1	61%	0.608	49%	0.489	S	S	*	.	S	Bend	trans	-77.9	-31.8	-171.5	0	0	0	0	0	118	E919 H921 R925	E919-G923 PolarHBondContact O-N 2.9Å; H921-G923 VanDerWaalsContact C-N 3.32Å; G923-R925 PolarHBondContact O-N 3.01Å
924	Y	30.3	Very low	45.9	Very low	178 Å²	178	93.1 Å²	93.1	70%	0.698	50%	0.498	S	S	*	.			trans	-88.3	109.4	-170.3	-80.5	-84	0	0	0	113.9	R788	R788-Y924 PolarHBondContact NH2-O 3.11Å
925	R	39.8	Very low	45.4	Very low	206 Å²	206	97.8 Å²	97.8	78%	0.777	51%	0.509	S	S	*	.			trans	-97	115.5	164.7	-76.8	-173.3	169.9	108.3	0.1	110.8	G923 N927	G923-R925 PolarHBondContact O-N 3.01Å; R925-N927 PolarHBondContact O-N 3.29Å; R925-N927 VanDerWaalsContact O-N 3.13Å
926	I	37.5	Very low	44.3	Very low	118 Å²	118	103.8 Å²	103.8	61%	0.605	53%	0.531	S	S	*	.			trans	-73.4	101.1	163.7	-59.4	176.8	0	0	0	107.9	F928	I926-F928 HydrophobicContact CG2-CD1 4.48Å; I926-F928 HydrophobicContact CG2-CE1 4.36Å; I926-F928 PolarHBondContact O-N 3.22Å
927	N	39.9	Very low	43.4	Very low	139 Å²	139	106.4 Å²	106.4	74%	0.743	54%	0.543	S	S	*	.			trans	-78.6	93.8	173.2	-68	-44.1	0	0	0	109.3	R925 S929	R925-N927 PolarHBondContact O-N 3.29Å; R925-N927 VanDerWaalsContact O-N 3.13Å; N927-S929 PolarHBondContact O-N 3.18Å
928	F	42.1	Very low	42.4	Very low	72 Å²	72	111.9 Å²	111.9	32%	0.316	58%	0.581	S	S	.	*			trans	-52.5	134.6	167.8	-63.9	-63.5	0	0	0	110.3	I926 E932 Q933	I926-F928 HydrophobicContact CG2-CD1 4.48Å; I926-F928 HydrophobicContact CG2-CE1 4.36Å; I926-F928 PolarHBondContact O-N 3.22Å; F928-E932 HydrophobicContact CB-CB 4.06Å; F928-E932 HydrophobicContact CD1-CB 4.37Å; F928-Q933 HydrophobicContact CB-CG 3.9Å; F928-Q933 PolarHBondContact O-NE2 2.84Å
929	S	41.6	Very low	41.5	Very low	46 Å²	46	115.8 Å²	115.8	32%	0.322	60%	0.604	S	S	.	*			trans	-63.3	159.5	175.2	67.7	0	0	0	0	111.7	N927 A931 E932 Q933	N927-S929 PolarHBondContact O-N 3.18Å; S929-A931 PolarHBondContact O-N 3.2Å; S929-A931 VanDerWaalsContact O-N 3.08Å; S929-E932 WeakPolarHBondContact CB-OE2 3.21Å; S929-E932 PolarHBondContact N-OE2 2.73Å; S929-E932 PolarHBondContact O-N 2.9Å; S929-E932 WeakPolarHBondContact OG-CG 3.44Å; S929-E932 PolarHBondContact OG-N 3.26Å; S929-E932 PolarHBondContact OG-OE2 2.83Å; S929-Q933 WeakPolarHBondContact O-CG 3.28Å; S929-Q933 PolarHBondContact O-N 2.99Å
930	P	45.7	Very low	40.6	Very low	89 Å²	89	115.8 Å²	115.8	58%	0.578	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	-27.3	175.6	-27.2	36.2	0	0	0	114.2	G934 R935	P930-G934 PolarHBondContact O-N 2.96Å; P930-R935 PolarHBondContact O-N 3.39Å
931	A	45.6	Very low	39.5	Very low	82 Å²	82	118.4 Å²	118.4	68%	0.678	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-45.5	174.9	0	0	0	0	0	112.2	S929 Q933 G934	S929-A931 PolarHBondContact O-N 3.2Å; S929-A931 VanDerWaalsContact O-N 3.08Å; A931-Q933 VanDerWaalsContact C-N 3.28Å; A931-Q933 PolarHBondContact O-N 3.2Å; A931-G934 PolarHBondContact O-N 3.13Å
932	E	46.8	Very low	39	Very low	110 Å²	110	125.2 Å²	125.2	51%	0.514	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	-29.3	174.2	-67.9	160.2	118.9	0	0	112.1	F928 S929 G934	F928-E932 HydrophobicContact CB-CB 4.06Å; F928-E932 HydrophobicContact CD1-CB 4.37Å; S929-E932 WeakPolarHBondContact CB-OE2 3.21Å; S929-E932 PolarHBondContact N-OE2 2.73Å; S929-E932 PolarHBondContact O-N 2.9Å; S929-E932 WeakPolarHBondContact OG-CG 3.44Å; S929-E932 PolarHBondContact OG-N 3.26Å; S929-E932 PolarHBondContact OG-OE2 2.83Å; E932-G934 PolarHBondContact O-N 2.67Å
933	Q	47	Very low	38.5	Very low	114 Å²	114	127.1 Å²	127.1	53%	0.533	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75	4.8	169.5	-64.1	-177.6	27.9	0	0	113.7	F928 S929 A931 R935	F928-Q933 HydrophobicContact CB-CG 3.9Å; F928-Q933 PolarHBondContact O-NE2 2.84Å; S929-Q933 WeakPolarHBondContact O-CG 3.28Å; S929-Q933 PolarHBondContact O-N 2.99Å; A931-Q933 VanDerWaalsContact C-N 3.28Å; A931-Q933 PolarHBondContact O-N 3.2Å; Q933-R935 VanDerWaalsContact C-N 3.33Å; Q933-R935 PolarHBondContact O-N 3.24Å
934	G	36.2	Very low	38.4	Very low	63 Å²	63	128.8 Å²	128.8	65%	0.649	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.5	10.4	173	0	0	0	0	0	116	P930 A931 E932 K936	P930-G934 PolarHBondContact O-N 2.96Å; A931-G934 PolarHBondContact O-N 3.13Å; E932-G934 PolarHBondContact O-N 2.67Å; G934-K936 PolarHBondContact O-N 2.73Å
935	R	39	Very low	38.8	Very low	158 Å²	158	130.8 Å²	130.8	60%	0.596	68%	0.676	S	S	*	*			trans	-83.1	105.5	-179.5	-69.6	-161.3	-174.9	-164.8	6.8	112.6	P930 Q933 D937	P930-R935 PolarHBondContact O-N 3.39Å; Q933-R935 VanDerWaalsContact C-N 3.33Å; Q933-R935 PolarHBondContact O-N 3.24Å; R935-D937 VanDerWaalsContact C-N 3.33Å; R935-D937 WeakPolarHBondContact CD-OD2 3.47Å; R935-D937 IonicContact NH1-OD2 3.59Å; R935-D937 PolarHBondContact O-N 3.1Å
936	K	34.5	Very low	38.6	Very low	205 Å²	205	126.1 Å²	126.1	89%	0.891	68%	0.675	S	S	*	*			trans	-85.8	70	162.9	-70.2	-175.5	176.8	178.9	0	111	G934 S938	G934-K936 PolarHBondContact O-N 2.73Å; K936-S938 PolarHBondContact O-N 3.17Å
937	D	39.1	Very low	38.4	Very low	120 Å²	120	125.8 Å²	125.8	64%	0.642	68%	0.683	S	S	*	*			trans	-80.8	99.7	171.6	-73.6	-35	0	0	0	109.5	R935	R935-D937 VanDerWaalsContact C-N 3.33Å; R935-D937 WeakPolarHBondContact CD-OD2 3.47Å; R935-D937 IonicContact NH1-OD2 3.59Å; R935-D937 PolarHBondContact O-N 3.1Å
938	S	30.8	Very low	38.2	Very low	117 Å²	117	124.1 Å²	124.1	82%	0.818	68%	0.682	S	S	*	*			trans	-84.6	114.6	-179.5	58.4	0	0	0	0	112	K936	K936-S938 PolarHBondContact O-N 3.17Å
939	I	36.4	Very low	37.9	Very low	163 Å²	163	124.7 Å²	124.7	84%	0.836	70%	0.695	S	S	*	*			trans	-127.8	134.1	170.6	-63.6	-177.2	0	0	0	109.4
940	T	36.8	Very low	37.8	Very low	138 Å²	138	128.9 Å²	128.9	85%	0.847	71%	0.714	S	S	*	*			trans	-86.2	155.9	-173.6	43.1	0	0	0	0	113.7
941	T	29.8	Very low	37.4	Very low	147 Å²	147	131.7 Å²	131.7	90%	0.902	72%	0.724	S	S	*	*			trans	-87.4	125.8	-171.1	-1.9	0	0	0	0	114.7
942	E	36.9	Very low	37.1	Very low	185 Å²	185	136.2 Å²	136.2	86%	0.864	73%	0.731	S	S	*	*			trans	-155.8	144.1	155.9	-77.7	-168	-172.7	0	0	107.5
943	E	36.1	Very low	36.5	Very low	160 Å²	160	139 Å²	139	75%	0.748	74%	0.744	S	S	*	*			cis	-163.7	173.8	-22	-146.2	-165.8	-141.9	0	0	109.6
944	N	35.1	Very low	35.8	Very low	94 Å²	94	137.6 Å²	137.6	50%	0.503	75%	0.747	S	S	.	*			trans	76.6	112.8	159.6	-73.9	-71.1	0	0	0	123.7
945	R	37.6	Very low	35.6	Very low	221 Å²	221	143 Å²	143	83%	0.834	75%	0.753	S	S	*	*			trans	77.6	142.6	134.1	-60.7	167.4	-153.9	-170.2	8.6	119.7
946	S	35.4	Very low	35.2	Very low	108 Å²	108	143.2 Å²	143.2	76%	0.755	77%	0.765	S	S	*	*			cis	-172.4	165.4	-12.5	48.3	0	0	0	0	111.6
947	S	34.9	Very low	35.2	Very low	111 Å²	111	142.7 Å²	142.7	78%	0.776	77%	0.766	S	S	*	*			trans	85.6	117.5	-173.7	-152.1	0	0	0	0	112.5
948	S	34.9	Very low	35.1	Very low	104 Å²	104	146.2 Å²	146.2	73%	0.727	78%	0.776	S	S	*	*			cis	69.7	120.8	49.6	-153.1	0	0	0	0	111.5
949	S	35.7	Very low	35.4	Very low	84 Å²	84	146 Å²	146	59%	0.587	78%	0.775	S	S	*	*			cis	-169.4	-171.9	-4	38.6	0	0	0	0	108
950	D	38.6	Very low	35.4	Very low	133 Å²	133	145.9 Å²	145.9	71%	0.711	77%	0.77	S	S	*	*			cis	-151.7	150.8	15.3	-62.5	-94.8	0	0	0	111.3
951	D	38.5	Very low	35.4	Very low	149 Å²	149	148.1 Å²	148.1	80%	0.797	77%	0.768	S	S	*	*			trans	52.2	156.9	150.3	-58.1	-18	0	0	0	127.1
952	E	39.8	Very low	35.7	Very low	177 Å²	177	146.4 Å²	146.4	83%	0.827	76%	0.76	S	S	*	*			trans	87.2	137	162.1	-67	-54.6	145.8	0	0	124.6
953	E	34	Very low	35.5	Very low	167 Å²	167	144.9 Å²	144.9	78%	0.78	76%	0.757	S	S	*	*			trans	-87.8	133	-153.9	-65.8	-168.4	139	0	0	119.4
954	S	30.8	Very low	35.5	Very low	85 Å²	85	143.1 Å²	143.1	59%	0.594	76%	0.757	S	S	*	*				88.7	149.2	126.9	81.6	0	0	0	0	124
955	K	32.7	Very low	35.3	Very low	178 Å²	178	147.3 Å²	147.3	77%	0.774	77%	0.773	S	S	*	*			trans	87.8	109.6	155.2	-66.2	156.8	-170.4	137.2	0	120.1
956	N	31.2	Very low	35.3	Very low	161 Å²	161	142.1 Å²	142.1	86%	0.861	76%	0.761	S	S	*	*			trans	52	84.1	142.5	-67.2	-1	0	0	0	118.7
957	E	33.7	Very low	35.3	Very low	195 Å²	195	143.4 Å²	143.4	91%	0.911	76%	0.759	S	S	*	*			trans	-103	124.1	149.4	-67	-157	126.9	0	0	110.8
958	K	36.4	Very low	35.6	Very low	194 Å²	194	145.5 Å²	145.5	84%	0.843	76%	0.759	S	S	*	*			trans	-75.9	144.9	165.1	-67.2	178	177.4	-179.6	0	108	H960	K958-H960 PolarHBondContact O-N 3.3Å
959	S	37	Very low	35.8	Very low	113 Å²	113	144.6 Å²	144.6	79%	0.79	76%	0.758	S	S	*	*			trans	-53.1	106.8	179.4	52.1	0	0	0	0	112.3	F961	S959-F961 PolarHBondContact O-N 3.39Å
960	H	38.1	Very low	36.1	Very low	160 Å²	160	144 Å²	144	74%	0.741	77%	0.765	S	S	*	*			trans	-77.2	106.2	-175.9	-173.6	-64.4	0	0	0	110.6	K958	K958-H960 PolarHBondContact O-N 3.3Å
961	F	35.3	Very low	36	Very low	184 Å²	184	148.2 Å²	148.2	81%	0.807	77%	0.772	S	S	*	*			trans	-59.9	134.7	168.4	-93.9	-95.5	0	0	0	109.9	S959 L963	S959-F961 PolarHBondContact O-N 3.39Å; F961-L963 PolarHBondContact O-N 3.3Å
962	P	37.6	Very low	36.1	Very low	111 Å²	111	144.3 Å²	144.3	72%	0.721	77%	0.767	S	S	*	*			trans	-71.6	102.6	-175.8	27.9	-34	0	0	0	111.1	V964	P962-V964 PolarHBondContact O-N 3.01Å
963	L	31.2	Very low	35.8	Very low	153 Å²	153	151 Å²	151	80%	0.801	79%	0.787	S	S	*	*			trans	-75.9	107.5	175.9	-153.5	88.3	0	0	0	109.8	F961 Q965	F961-L963 PolarHBondContact O-N 3.3Å; L963-Q965 PolarHBondContact O-N 2.96Å
964	V	37.9	Very low	35.9	Very low	123 Å²	123	150.2 Å²	150.2	75%	0.745	79%	0.787	S	S	*	*			trans	-81.7	98.9	176.6	-178.8	0	0	0	0	109.4	P962 I966	P962-V964 PolarHBondContact O-N 3.01Å; V964-I966 HydrophobicContact CG1-CG1 4.32Å; V964-I966 PolarHBondContact O-N 3.37Å
965	Q	29.6	Very low	36.2	Very low	182 Å²	182	153.6 Å²	153.6	85%	0.85	80%	0.798	S	S	*	*			trans	-82.5	99.6	-179.6	-172.4	177.3	3.6	0	0	111.3	L963	L963-Q965 PolarHBondContact O-N 2.96Å
966	I	37	Very low	36.4	Very low	112 Å²	112	152.3 Å²	152.3	57%	0.574	80%	0.799	S	S	*	*			trans	-80.4	137.9	174.1	-58.3	179.2	0	0	0	110	M821 V964	M821-I966 HydrophobicContact CE-CD1 3.88Å; V964-I966 HydrophobicContact CG1-CG1 4.32Å; V964-I966 PolarHBondContact O-N 3.37Å
967	N	37.3	Very low	36.7	Very low	136 Å²	136	151.8 Å²	151.8	73%	0.727	80%	0.795	S	S	*	*			trans	-84.5	118.5	-178.4	-177.2	2	0	0	0	111.3	A969	N967-A969 PolarHBondContact O-N 2.89Å; N967-A969 VanDerWaalsContact O-N 3.16Å; N967-A969 WeakPolarHBondContact OD1-CB 3.42Å; N967-A969 PolarHBondContact OD1-N 3.16Å
968	M	41	Very low	36.8	Very low	154 Å²	154	149.1 Å²	149.1	76%	0.759	79%	0.788	S	S	*	*			trans	-73.4	3.7	-177.6	-74	-63.8	-62.9	0	0	115.6	G970	M968-G970 VanDerWaalsContact C-N 3.32Å; M968-G970 PolarHBondContact O-N 3.22Å
969	A	38	Very low	36.9	Very low	86 Å²	86	146.1 Å²	146.1	71%	0.711	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	74.2	-178.6	0	0	0	0	0	113.2	N967	N967-A969 PolarHBondContact O-N 2.89Å; N967-A969 VanDerWaalsContact O-N 3.16Å; N967-A969 WeakPolarHBondContact OD1-CB 3.42Å; N967-A969 PolarHBondContact OD1-N 3.16Å
970	G	43.3	Very low	36.9	Very low	71 Å²	71	148.4 Å²	148.4	73%	0.732	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177.5	-29.3	172.8	0	0	0	0	0	117.8	M968	M968-G970 VanDerWaalsContact C-N 3.32Å; M968-G970 PolarHBondContact O-N 3.22Å
971	Y	35.1	Very low	36.8	Very low	222 Å²	222	147.5 Å²	147.5	87%	0.871	79%	0.787	S	S	*	*			trans	-103.3	141.5	-173.4	-76.9	-92.4	0	0	0	113
972	G	41.7	Very low	36.9	Very low	67 Å²	67	144.5 Å²	144.5	69%	0.691	79%	0.785	S	S	*	*			trans	-163.2	119.2	176.1	0	0	0	0	0	113.7
973	Y	33.1	Very low	36.8	Very low	317 Å²	317	147.5 Å²	147.5	100%	1.243	79%	0.791	S	S	*	*			trans	57.4	0	173.1	-66.9	-75.5	0	0	0	117.6

Retrieved 973 of 973 residues in 376 ms (Link to these results)

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