A0A087YIV6_POEFO Loading...

Kinesin-like protein KIF21B

Plus-end directed microtubule-dependent motor protein which displays processive activity. Is involved in regulation of microtubule dynamics, synapse function and neuronal morphology, including dendritic tree branching and spine formation. Plays a role in lerning and memory. Involved in delivery of gamma-aminobutyric acid (GABA(A)) receptor to cell surface.

AlphaFold DB , UniProt , Accession A0A087YIV6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,180 aa.

						>A0A087YIV6_POEFO|A0A087YIV6
MNESLRRQVARLSSRSSFPASGLSPAPGHPPGSSPISMSMEAEMTDVLRRAKLDIERLKKKERRQRRLSPELEKGLKKRVKLHTQEIGENRRSGENGQNGEIDSDDNCTEDIMSPLQEESGCEEDEGEDEEEGREEEDDFDSDESLVDSDSDSDEKANFQADLADLTCEIEIKQKLIDELENSQRRLLMLKLQYEEKLILLQNKIRDTQLERDRVLQNLMSMENYTEEKASKIRQEYEKRLKEMNRDLLKLQAAQKEHARLLKNQGRYERELKKLQTEVNEMKKTKVVLMKQMKEEQQRRRMVEAKRNREIAQLKKEQRRQEYQIRALESQKRQQELVLRRKTQEVTALRRMAKPMSDRVAGRVARWNQTPPVTDSGADLSASTMASGSEAETARTVSGLVRQWNNKNNAYGYMAESEGSMDGTRVISRKKLQRKPAGLGSTAPAGRANSFSKSARLKWQTLERRIMDIVMQRMTISNVEADMDRLIKKREELTMQQEALSHKREVLMADGEGPEAEDRLLQEVNEEIEVLNANIDYINDSLSDCQATIVQIEETKDELDSVDTSVVISSCSLAEARHLLDHFLKASIDKSLQVAQREAQIRLLEGQLRQTDVIGSSHNHMILDALREKAECIPELQALIHNVQQENGYASTDEEPSEFSQASDSSVSQMKESNSQDDFKIKMEPRLSAQMKAVSAEYLGPILDPSSSSKQQHITKSLASLTDIQEDGLGLVPGSLALSVPLRDPFHRERASRTISLPVRGHTFPRQSRGYDTSPITRRKSYDRSYRPTDVYTPPSSPPLRTRNDRNVFSRLTSNQAQGSALDKGVINPIGGVKGGRTAPLQCVSVAEGHSKPVLCVDATDELLFTGSKDRTCKMWNLVTGQEIATLKGHPNNVVSVKYCPSSGLAFSVSTSYIKVWDIRDSAKCIRTLTSSGQVVTGDACAGTTTRTITFAQGECQINQIAINPSGSVLYAAAGNIVRMWDLNRMQATGKLSGHIGSVMCLTVGQSLLGKDQVITGSKDHYVKIFDVAEGTLGNVGPAHNFEPPHYDGIECLAVQGDVLFSGSRDNGIKKWELEQQELTQQIPNAHKDWVCALAYVPGRPMLLSACRGGMLKVWNVENFTPIGEVRGHDSPINAICTNSRHIFTASSDCRVKLWNYVPGLTPCLPRRVLAIKGRATSLP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.4	Very low	34.8	Very low	229 Å²	229	160.5 Å²	160.5	100%	1.128	78%	0.78	S	S	*	*				0	73.8	0	-70.3	-175.5	-78.8	0	0	107.9
2	N	30.3	Very low	34.4	Very low	127 Å²	127	161.3 Å²	161.3	68%	0.679	79%	0.789	S	S	*	*				84.7	86.1	65.9	-67.8	56.1	0	0	0	113.2	S4	N2-S4 PolarHBondContact O-N 3.36Å; N2-S4 PolarHBondContact O-OG 3.33Å
3	E	27.6	Very low	34.3	Very low	126 Å²	126	158.5 Å²	158.5	59%	0.589	80%	0.795	S	S	*	*				60	-0.4	108.3	-140.6	-163.3	138.9	0	0	120.2	R7	E3-R7 IonicContact OE1-CZ 3.8Å; E3-R7 IonicContact OE1-NE 3.58Å; E3-R7 IonicContact OE1-NH2 2.87Å; E3-R7 PolarHBondContact OE1-NH2 3.27Å
4	S	33.4	Very low	34	Very low	91 Å²	91	154.9 Å²	154.9	64%	0.636	79%	0.792	S	S	*	*	S	Bend	trans	-78.9	-38.2	-179.3	51.7	0	0	0	0	113	N2	N2-S4 PolarHBondContact O-N 3.36Å; N2-S4 PolarHBondContact O-OG 3.33Å
5	L	37.6	Very low	33.7	Very low	141 Å²	141	161.5 Å²	161.5	74%	0.738	80%	0.803	S	S	*	*	G	3₁₀ helix	trans	-73.5	-29.7	-175	-80.2	159.6	0	0	0	114.3	R7	L5-R7 PolarHBondContact O-N 3.2Å
6	R	40.5	Very low	33.4	Very low	238 Å²	238	159 Å²	159	90%	0.898	81%	0.806	S	S	*	*	G	3₁₀ helix	trans	-72.3	-6	-178.1	-76	-167.1	177	-163.4	-0	114.6
7	R	36.2	Very low	33	Very low	189 Å²	189	155.4 Å²	155.4	71%	0.713	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-104.9	-1.1	-178	-57.8	-169.4	-170	-159.2	4.9	115.4	E3 L5	E3-R7 IonicContact OE1-CZ 3.8Å; E3-R7 IonicContact OE1-NE 3.58Å; E3-R7 IonicContact OE1-NH2 2.87Å; E3-R7 PolarHBondContact OE1-NH2 3.27Å; L5-R7 PolarHBondContact O-N 3.2Å
8	Q	33.7	Very low	33.1	Very low	168 Å²	168	157.4 Å²	157.4	79%	0.785	80%	0.802	S	S	*	*	S	Bend	trans	-105.7	-12	-177.4	-88.3	-176	-32.5	0	0	116.2
9	V	34.2	Very low	33.5	Very low	132 Å²	132	156.1 Å²	156.1	80%	0.8	80%	0.804	S	S	*	*	S	Bend	trans	-84.5	-25.4	179	-175.9	0	0	0	0	112.3	R11	V9-R11 VanDerWaalsContact C-N 3.27Å; V9-R11 PolarHBondContact O-N 3.35Å
10	A	34.6	Very low	33.5	Very low	85 Å²	85	152.9 Å²	152.9	70%	0.702	80%	0.802	S	S	*	*	S	Bend	trans	-82.7	51.3	-173.8	0	0	0	0	0	114.3
11	R	33.8	Very low	33.4	Very low	240 Å²	240	152 Å²	152	91%	0.906	81%	0.808	S	S	*	*	S	Bend	trans	-171.9	72.5	168.1	-110	170.2	-159.8	-177	5.9	113.1	V9	V9-R11 VanDerWaalsContact C-N 3.27Å; V9-R11 PolarHBondContact O-N 3.35Å
12	L	30.9	Very low	32.9	Very low	170 Å²	170	144.3 Å²	144.3	89%	0.89	79%	0.788	S	S	*	*			trans	-167.3	28.6	152.5	-110	168.3	0	0	0	115.7
13	S	32.4	Very low	32.8	Very low	125 Å²	125	146.8 Å²	146.8	87%	0.874	80%	0.8	S	S	*	*			trans	-106.2	87.8	171.6	-68.5	0	0	0	0	111.4
14	S	30	Very low	32.8	Very low	108 Å²	108	146.2 Å²	146.2	76%	0.755	81%	0.81	S	S	*	*			trans	-174.9	87.1	160.3	33.8	0	0	0	0	113.3
15	R	30.3	Very low	33.4	Very low	253 Å²	253	148 Å²	148	96%	0.955	82%	0.82	S	S	*	*			trans	-175.7	135	131.2	-101.3	153.6	-171.2	-101.5	-2.5	111.9
16	S	27.7	Very low	33.1	Very low	122 Å²	122	145.5 Å²	145.5	85%	0.853	82%	0.819	S	S	*	*			trans	-92.2	170.7	166.8	49.3	0	0	0	0	111
17	S	28	Very low	33.4	Very low	97 Å²	97	140.4 Å²	140.4	68%	0.678	82%	0.817	S	S	*	*			trans	-158.9	136.3	-177.2	56.8	0	0	0	0	108.6
18	F	33.8	Very low	33.1	Very low	193 Å²	193	134.9 Å²	134.9	85%	0.846	82%	0.819	S	S	*	*			cis	-127.4	-167.9	-0.8	-80.8	-88.8	0	0	0	109.6
19	P	41.4	Very low	32.9	Very low	131 Å²	131	135.8 Å²	135.8	85%	0.851	82%	0.823	S	S	*	*				-135.1	179.9	92	39.1	-28.2	0	0	0	113.7
20	A	32.5	Very low	33.1	Very low	93 Å²	93	134.7 Å²	134.7	77%	0.769	82%	0.819	S	S	*	*			trans	-130.8	155.2	-173.2	0	0	0	0	0	113.1
21	S	32.6	Very low	33.5	Very low	133 Å²	133	136.7 Å²	136.7	93%	0.93	82%	0.824	S	S	*	*			trans	172.2	154.1	147.2	41	0	0	0	0	112.5
22	G	28.4	Very low	33.2	Very low	68 Å²	68	128.5 Å²	128.5	70%	0.701	82%	0.815	S	S	*	*			trans	119.6	93.7	146.6	0	0	0	0	0	121
23	L	29	Very low	33.1	Very low	179 Å²	179	126.4 Å²	126.4	94%	0.937	81%	0.814	S	S	*	*			trans	75.6	165.2	139.6	-57.3	170.5	0	0	0	121.4
24	S	27.3	Very low	33.3	Very low	114 Å²	114	126 Å²	126	80%	0.797	81%	0.811	S	S	*	*			trans	-128.6	-176.4	-164.4	-37.4	0	0	0	0	110.8
25	P	45.9	Very low	33.4	Very low	128 Å²	128	127 Å²	127	83%	0.831	82%	0.815	S	S	*	*			cis	-132.6	-156.5	-2.5	41.4	-20.7	0	0	0	114.9
26	A	31.3	Very low	33.5	Very low	89 Å²	89	123 Å²	123	74%	0.736	81%	0.811	S	S	*	*			trans	-72.6	-178.2	-176.5	0	0	0	0	0	114.8
27	P	47	Very low	33.8	Very low	132 Å²	132	122.4 Å²	122.4	86%	0.857	81%	0.807	S	S	*	*			cis	-139.8	-176.7	14.7	43.7	-24.4	0	0	0	117.6
28	G	30.3	Very low	34.2	Very low	72 Å²	72	126.2 Å²	126.2	74%	0.742	82%	0.816	S	S	*	*			trans	-175.3	-1.5	178.1	0	0	0	0	0	127.5
29	H	29.7	Very low	34.7	Very low	188 Å²	188	120 Å²	120	87%	0.87	80%	0.796	S	S	*	*			trans	61.8	175	164.4	-99.3	-65.8	0	0	0	119.2
30	P	37.3	Very low	34.9	Very low	109 Å²	109	121.1 Å²	121.1	71%	0.708	79%	0.792	S	S	*	*			trans	-125.6	-143.5	-130.4	41.1	-18.2	0	0	0	116.6
31	P	44.7	Very low	35.4	Very low	127 Å²	127	123.1 Å²	123.1	83%	0.825	79%	0.786	S	S	*	*				-122.5	170.6	-108.6	40.6	-23.1	0	0	0	116.1
32	G	27	Very low	36.1	Very low	68 Å²	68	119.8 Å²	119.8	70%	0.701	77%	0.766	S	S	*	*			trans	179.3	138.9	166	0	0	0	0	0	117.3
33	S	27.7	Very low	37.1	Very low	125 Å²	125	123.4 Å²	123.4	87%	0.874	77%	0.765	S	S	*	*			trans	49	115.8	159	54.8	0	0	0	0	120.8
34	S	36.8	Very low	38.2	Very low	117 Å²	117	120.9 Å²	120.9	82%	0.818	75%	0.75	S	S	*	*			trans	-73.9	168.7	166	-35.4	0	0	0	0	113.3
35	P	33	Very low	39.8	Very low	129 Å²	129	119 Å²	119	84%	0.838	73%	0.734	S	S	*	*				-124.5	146.7	125.1	35.8	-31.4	0	0	0	114.4
36	I	32	Very low	40.2	Very low	168 Å²	168	115.1 Å²	115.1	86%	0.862	71%	0.706	S	S	*	*			trans	-46	135.5	-176.6	-63.7	151.3	0	0	0	115
37	S	33.7	Very low	42	Very low	110 Å²	110	115.2 Å²	115.2	77%	0.769	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-103.5	156.1	157.1	56.7	0	0	0	0	111
38	M	37.8	Very low	42.6	Very low	177 Å²	177	113.5 Å²	113.5	87%	0.872	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-74.3	146.6	-175.1	-61.2	-120.5	71	0	0	112.5
39	S	43.1	Very low	44.3	Very low	62 Å²	62	116.6 Å²	116.6	43%	0.434	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-68.7	133.6	-177.9	178.9	0	0	0	0	112.9	E41 A42	S39-E41 PolarHBondContact O-N 2.97Å; S39-E41 VanDerWaalsContact O-N 3.09Å; S39-E41 WeakPolarHBondContact OG-CG 3.36Å; S39-E41 PolarHBondContact OG-N 2.85Å; S39-E41 PolarHBondContact OG-OE2 3.22Å; S39-A42 WeakPolarHBondContact O-CB 3.33Å; S39-A42 PolarHBondContact O-N 2.77Å; S39-A42 VanDerWaalsContact O-N 3.12Å
40	M	45.3	Very low	45.9	Very low	155 Å²	155	114.3 Å²	114.3	76%	0.764	65%	0.653	S	S	*	*	H	α-helix	trans	-56.3	-20.1	171.3	-73.4	179	166	0	0	113.7	A42 E43 M44	M40-A42 PolarHBondContact O-N 3.46Å; M40-E43 PolarHBondContact O-N 2.7Å; M40-M44 WeakPolarHBondContact O-CB 3.37Å; M40-M44 PolarHBondContact O-N 2.92Å
41	E	43.6	Very low	47.1	Very low	135 Å²	135	111.4 Å²	111.4	63%	0.631	64%	0.638	S	S	*	*	H	α-helix	trans	-62.9	-31	176.7	-65	167.7	110.7	0	0	112.4	S39 T45	S39-E41 PolarHBondContact O-N 2.97Å; S39-E41 VanDerWaalsContact O-N 3.09Å; S39-E41 WeakPolarHBondContact OG-CG 3.36Å; S39-E41 PolarHBondContact OG-N 2.85Å; S39-E41 PolarHBondContact OG-OE2 3.22Å; E41-T45 WeakPolarHBondContact O-CB 3.5Å; E41-T45 VanDerWaalsContact O-CG2 3.28Å; E41-T45 WeakPolarHBondContact O-CG2 3.46Å; E41-T45 PolarHBondContact O-N 3.11Å; E41-T45 PolarHBondContact O-OG1 3Å
42	A	46.8	Very low	48.2	Very low	63 Å²	63	112.4 Å²	112.4	52%	0.521	63%	0.63	S	S	.	*	H	α-helix	trans	-63.1	-48	175.4	0	0	0	0	0	110.6	S39 M40 T45 D46	S39-A42 WeakPolarHBondContact O-CB 3.33Å; S39-A42 PolarHBondContact O-N 2.77Å; S39-A42 VanDerWaalsContact O-N 3.12Å; M40-A42 PolarHBondContact O-N 3.46Å; A42-T45 PolarHBondContact O-OG1 3.28Å; A42-T45 VanDerWaalsContact O-OG1 3.08Å; A42-D46 WeakPolarHBondContact O-CB 3.32Å; A42-D46 PolarHBondContact O-N 2.76Å
43	E	50.6	Low	50.4	Low	144 Å²	144	113.6 Å²	113.6	67%	0.673	62%	0.619	S	S	*	*	H	α-helix	trans	-68.7	-43.1	177.3	-62.5	-169.6	127.3	0	0	112	M40 T45 D46 V47	M40-E43 PolarHBondContact O-N 2.7Å; E43-T45 PolarHBondContact O-N 3.12Å; E43-D46 WeakPolarHBondContact O-CB 3.43Å; E43-D46 PolarHBondContact O-N 2.9Å; E43-D46 VanDerWaalsContact O-N 3.13Å; E43-V47 WeakPolarHBondContact O-CG2 3.4Å; E43-V47 PolarHBondContact O-N 2.79Å
44	M	51.2	Low	52.2	Low	126 Å²	126	111.1 Å²	111.1	62%	0.621	60%	0.597	S	S	*	*	H	α-helix	trans	-66.4	-36.8	-178.2	-167.4	168.2	75.5	0	0	112.6	M40 D46 L48	M40-M44 WeakPolarHBondContact O-CB 3.37Å; M40-M44 PolarHBondContact O-N 2.92Å; M44-D46 VanDerWaalsContact C-N 3.33Å; M44-L48 WeakPolarHBondContact O-CB 3.08Å; M44-L48 PolarHBondContact O-N 3.18Å
45	T	60.5	Low	54	Low	76 Å²	76	109.9 Å²	109.9	47%	0.466	58%	0.58	S	S	.	*	H	α-helix	trans	-69.3	-31	173.1	54.5	0	0	0	0	112.5	E41 A42 E43 R49	E41-T45 WeakPolarHBondContact O-CB 3.5Å; E41-T45 VanDerWaalsContact O-CG2 3.28Å; E41-T45 WeakPolarHBondContact O-CG2 3.46Å; E41-T45 PolarHBondContact O-N 3.11Å; E41-T45 PolarHBondContact O-OG1 3Å; A42-T45 PolarHBondContact O-OG1 3.28Å; A42-T45 VanDerWaalsContact O-OG1 3.08Å; E43-T45 PolarHBondContact O-N 3.12Å; T45-R49 WeakPolarHBondContact O-CB 3.46Å; T45-R49 PolarHBondContact O-N 3.09Å
46	D	55.8	Low	55.6	Low	45 Å²	45	110 Å²	110	24%	0.241	57%	0.569	C	S	.	*	H	α-helix	trans	-71.7	-40.9	174.9	-127.6	55.7	0	0	0	112.1	A42 E43 M44 R49 R50	A42-D46 WeakPolarHBondContact O-CB 3.32Å; A42-D46 PolarHBondContact O-N 2.76Å; E43-D46 WeakPolarHBondContact O-CB 3.43Å; E43-D46 PolarHBondContact O-N 2.9Å; E43-D46 VanDerWaalsContact O-N 3.13Å; M44-D46 VanDerWaalsContact C-N 3.33Å; D46-R49 WeakPolarHBondContact O-CB 3.19Å; D46-R49 PolarHBondContact O-N 2.88Å; D46-R49 IonicContact OD1-CZ 2.72Å; D46-R49 IonicContact OD1-NH1 3.79Å; D46-R49 PolarHBondContact OD1-NH1 2.83Å; D46-R49 IonicContact OD1-NH2 3.88Å; D46-R49 PolarHBondContact OD1-NH2 2.97Å; D46-R50 WeakPolarHBondContact O-CG 3.44Å; D46-R50 PolarHBondContact O-N 3.01Å; D46-R50 PolarHBondContact O-NH1 2.9Å; D46-R50 IonicContact OD2-CZ 3.76Å; D46-R50 IonicContact OD2-NH1 3.76Å; D46-R50 PolarHBondContact OD2-NH1 3.2Å; D46-R50 IonicContact OD2-NH2 3.26Å; D46-R50 PolarHBondContact OD2-NH2 3.05Å
47	V	67.4	Low	57	Low	92 Å²	92	109.7 Å²	109.7	56%	0.558	56%	0.557	S	S	*	*	H	α-helix	trans	-61.7	-45.8	171.2	171	0	0	0	0	111	E43 R49 R50 A51	E43-V47 WeakPolarHBondContact O-CG2 3.4Å; E43-V47 PolarHBondContact O-N 2.79Å; V47-R49 VanDerWaalsContact C-N 3.26Å; V47-R49 PolarHBondContact O-N 3.26Å; V47-R50 PolarHBondContact O-N 2.81Å; V47-A51 WeakPolarHBondContact O-CB 3.36Å; V47-A51 PolarHBondContact O-N 2.96Å
48	L	61.4	Low	58.4	Low	95 Å²	95	109.9 Å²	109.9	50%	0.497	55%	0.549	S	S	.	.	H	α-helix	trans	-61	-32.6	173.9	-84.9	162.9	0	0	0	112.9	M44 K52	M44-L48 WeakPolarHBondContact O-CB 3.08Å; M44-L48 PolarHBondContact O-N 3.18Å; L48-K52 WeakPolarHBondContact O-CG 3.38Å; L48-K52 PolarHBondContact O-N 2.55Å; L48-K52 VanDerWaalsContact O-N 3.14Å
49	R	64.9	Low	59.8	Low	138 Å²	138	107.1 Å²	107.1	52%	0.521	53%	0.532	S	S	.	.	H	α-helix	trans	-69.8	-43.3	175.2	-154.7	-177	-50.1	120.1	19.5	111.7	T45 D46 V47 K52 L53	T45-R49 WeakPolarHBondContact O-CB 3.46Å; T45-R49 PolarHBondContact O-N 3.09Å; D46-R49 WeakPolarHBondContact O-CB 3.19Å; D46-R49 PolarHBondContact O-N 2.88Å; D46-R49 IonicContact OD1-CZ 2.72Å; D46-R49 IonicContact OD1-NH1 3.79Å; D46-R49 PolarHBondContact OD1-NH1 2.83Å; D46-R49 IonicContact OD1-NH2 3.88Å; D46-R49 PolarHBondContact OD1-NH2 2.97Å; V47-R49 VanDerWaalsContact C-N 3.26Å; V47-R49 PolarHBondContact O-N 3.26Å; R49-K52 PolarHBondContact O-N 3.37Å; R49-L53 PolarHBondContact O-N 3.11Å; R49-L53 VanDerWaalsContact O-N 3.16Å
50	R	63.3	Low	60.8	Low	139 Å²	139	110.7 Å²	110.7	53%	0.525	54%	0.54	S	S	.	.	H	α-helix	trans	-61.7	-49.2	174.4	-68.7	178.9	-175.3	84.7	12.1	111.4	D46 V47 K52 L53 D54	D46-R50 WeakPolarHBondContact O-CG 3.44Å; D46-R50 PolarHBondContact O-N 3.01Å; D46-R50 PolarHBondContact O-NH1 2.9Å; D46-R50 IonicContact OD2-CZ 3.76Å; D46-R50 IonicContact OD2-NH1 3.76Å; D46-R50 PolarHBondContact OD2-NH1 3.2Å; D46-R50 IonicContact OD2-NH2 3.26Å; D46-R50 PolarHBondContact OD2-NH2 3.05Å; V47-R50 PolarHBondContact O-N 2.81Å; R50-K52 VanDerWaalsContact C-N 3.33Å; R50-K52 PolarHBondContact O-N 3.36Å; R50-L53 WeakPolarHBondContact O-CB 3.32Å; R50-L53 PolarHBondContact O-N 3.29Å; R50-L53 VanDerWaalsContact O-N 3.1Å; R50-D54 PolarHBondContact O-N 2.64Å
51	A	62.8	Low	61.7	Low	48 Å²	48	110.5 Å²	110.5	40%	0.397	54%	0.535	S	S	.	.	H	α-helix	trans	-58.5	-40.6	178.3	0	0	0	0	0	113.1	V47 D54 I55	V47-A51 WeakPolarHBondContact O-CB 3.36Å; V47-A51 PolarHBondContact O-N 2.96Å; A51-D54 PolarHBondContact O-N 2.89Å; A51-I55 VanDerWaalsContact O-CG1 3.31Å; A51-I55 WeakPolarHBondContact O-CG1 3.26Å; A51-I55 PolarHBondContact O-N 2.84Å
52	K	67.6	Low	62.5	Low	149 Å²	149	107.9 Å²	107.9	65%	0.648	52%	0.522	S	S	*	.	H	α-helix	trans	-64.1	-40.7	174.7	-78	177.7	177.5	178.6	0	112.8	L48 R49 R50 I55 E56	L48-K52 WeakPolarHBondContact O-CG 3.38Å; L48-K52 PolarHBondContact O-N 2.55Å; L48-K52 VanDerWaalsContact O-N 3.14Å; R49-K52 PolarHBondContact O-N 3.37Å; R50-K52 VanDerWaalsContact C-N 3.33Å; R50-K52 PolarHBondContact O-N 3.36Å; K52-I55 PolarHBondContact O-N 3.28Å; K52-E56 PolarHBondContact O-N 3.09Å
53	L	72.8	Confident	62.8	Low	92 Å²	92	113.6 Å²	113.6	48%	0.482	53%	0.531	S	S	.	.	H	α-helix	trans	-64.5	-40.2	177.2	-77.5	165	0	0	0	112.2	R49 R50 E56 R57	R49-L53 PolarHBondContact O-N 3.11Å; R49-L53 VanDerWaalsContact O-N 3.16Å; R50-L53 WeakPolarHBondContact O-CB 3.32Å; R50-L53 PolarHBondContact O-N 3.29Å; R50-L53 VanDerWaalsContact O-N 3.1Å; L53-E56 PolarHBondContact O-N 2.77Å; L53-R57 VanDerWaalsContact O-CG 3.31Å; L53-R57 WeakPolarHBondContact O-CG 3.32Å; L53-R57 PolarHBondContact O-N 2.9Å
54	D	66.9	Low	62.8	Low	74 Å²	74	115.2 Å²	115.2	40%	0.396	53%	0.53	S	S	.	.	H	α-helix	trans	-74.6	-32.4	178.2	-72.4	-37.6	0	0	0	113	R50 A51 E56 R57 L58	R50-D54 PolarHBondContact O-N 2.64Å; A51-D54 PolarHBondContact O-N 2.89Å; D54-E56 VanDerWaalsContact C-N 3.32Å; D54-E56 PolarHBondContact O-N 2.81Å; D54-R57 PolarHBondContact O-N 2.86Å; D54-R57 WeakPolarHBondContact OD1-CD 3.39Å; D54-R57 IonicContact OD1-CZ 3.97Å; D54-R57 IonicContact OD1-NE 3.87Å; D54-R57 IonicContact OD1-NH1 2.66Å; D54-R57 PolarHBondContact OD1-NH1 2.78Å; D54-L58 WeakPolarHBondContact O-CB 3.43Å; D54-L58 WeakPolarHBondContact O-CG 3.31Å; D54-L58 PolarHBondContact O-N 2.81Å
55	I	73.4	Confident	62.7	Low	90 Å²	90	116 Å²	116	46%	0.462	53%	0.533	S	S	.	.	H	α-helix	trans	-61.7	-39.6	167.4	-70.5	166.7	0	0	0	111.2	A51 K52 L58 K59	A51-I55 VanDerWaalsContact O-CG1 3.31Å; A51-I55 WeakPolarHBondContact O-CG1 3.26Å; A51-I55 PolarHBondContact O-N 2.84Å; K52-I55 PolarHBondContact O-N 3.28Å; I55-L58 PolarHBondContact O-N 2.78Å; I55-K59 HydrophobicContact CG2-CD 4.38Å; I55-K59 WeakPolarHBondContact O-CG 3.48Å; I55-K59 PolarHBondContact O-N 3.43Å
56	E	67.3	Low	62.1	Low	131 Å²	131	121.2 Å²	121.2	61%	0.612	54%	0.544	S	S	*	.	H	α-helix	trans	-69.5	-40	175.8	-164.9	179.6	-134.5	0	0	111.9	K52 L53 D54 L58 K59 K60	K52-E56 PolarHBondContact O-N 3.09Å; L53-E56 PolarHBondContact O-N 2.77Å; D54-E56 VanDerWaalsContact C-N 3.32Å; D54-E56 PolarHBondContact O-N 2.81Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 2.69Å; E56-K59 PolarHBondContact O-N 2.99Å; E56-K60 VanDerWaalsContact O-CB 3.29Å; E56-K60 WeakPolarHBondContact O-CB 3.49Å; E56-K60 PolarHBondContact O-N 3.36Å
57	R	61.8	Low	61.5	Low	163 Å²	163	129 Å²	129	62%	0.615	57%	0.569	S	S	*	*	H	α-helix	trans	-59.8	-41	172	-74.3	160.2	161.2	-173.8	-3.9	112.2	L53 D54 K60 K61	L53-R57 VanDerWaalsContact O-CG 3.31Å; L53-R57 WeakPolarHBondContact O-CG 3.32Å; L53-R57 PolarHBondContact O-N 2.9Å; D54-R57 PolarHBondContact O-N 2.86Å; D54-R57 WeakPolarHBondContact OD1-CD 3.39Å; D54-R57 IonicContact OD1-CZ 3.97Å; D54-R57 IonicContact OD1-NE 3.87Å; D54-R57 IonicContact OD1-NH1 2.66Å; D54-R57 PolarHBondContact OD1-NH1 2.78Å; R57-K60 CarbonylContact O-C 3.4Å; R57-K60 PolarHBondContact O-N 2.91Å; R57-K61 PolarHBondContact O-N 2.78Å
58	L	62.5	Low	60.2	Low	114 Å²	114	131.9 Å²	131.9	60%	0.597	58%	0.581	S	S	*	*	H	α-helix	trans	-64.1	-47.2	174.7	-76.3	166.4	0	0	0	111.5	D54 I55 E56 K60 K61 E62	D54-L58 WeakPolarHBondContact O-CB 3.43Å; D54-L58 WeakPolarHBondContact O-CG 3.31Å; D54-L58 PolarHBondContact O-N 2.81Å; I55-L58 PolarHBondContact O-N 2.78Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 2.69Å; L58-K60 PolarHBondContact O-N 3.44Å; L58-K61 WeakPolarHBondContact O-CB 3.45Å; L58-K61 PolarHBondContact O-N 2.87Å; L58-K61 VanDerWaalsContact O-N 3.09Å; L58-E62 PolarHBondContact O-N 3.44Å
59	K	66.5	Low	59.1	Low	118 Å²	118	131.8 Å²	131.8	51%	0.513	59%	0.588	S	S	.	*	H	α-helix	trans	-61.3	-29.1	172.5	-72.4	176.4	179	179.3	0	112.7	I55 E56 R63	I55-K59 HydrophobicContact CG2-CD 4.38Å; I55-K59 WeakPolarHBondContact O-CG 3.48Å; I55-K59 PolarHBondContact O-N 3.43Å; E56-K59 PolarHBondContact O-N 2.99Å; K59-R63 VanDerWaalsContact O-CB 3.28Å; K59-R63 WeakPolarHBondContact O-CB 3.38Å; K59-R63 VanDerWaalsContact O-CG 3.22Å; K59-R63 WeakPolarHBondContact O-CG 3.25Å; K59-R63 PolarHBondContact O-N 2.8Å
60	K	63.5	Low	58	Low	138 Å²	138	129.9 Å²	129.9	60%	0.6	59%	0.594	S	S	*	*	H	α-helix	trans	-78.2	-29.2	175.1	-157.8	168.8	-172.4	171.5	0	112.6	E56 R57 L58 R64	E56-K60 VanDerWaalsContact O-CB 3.29Å; E56-K60 WeakPolarHBondContact O-CB 3.49Å; E56-K60 PolarHBondContact O-N 3.36Å; R57-K60 CarbonylContact O-C 3.4Å; R57-K60 PolarHBondContact O-N 2.91Å; L58-K60 PolarHBondContact O-N 3.44Å; K60-R64 WeakPolarHBondContact O-CG 3.3Å; K60-R64 PolarHBondContact O-N 2.85Å
61	K	65.2	Low	56.3	Low	150 Å²	150	132.2 Å²	132.2	65%	0.652	61%	0.611	S	S	*	*	H	α-helix	trans	-68.1	-50.9	165.3	-83.1	-171.1	172.9	-173	0	110.8	R57 L58 R63 R64 Q65	R57-K61 PolarHBondContact O-N 2.78Å; L58-K61 WeakPolarHBondContact O-CB 3.45Å; L58-K61 PolarHBondContact O-N 2.87Å; L58-K61 VanDerWaalsContact O-N 3.09Å; K61-R63 VanDerWaalsContact C-N 3.33Å; K61-R63 PolarHBondContact O-N 2.89Å; K61-R64 CarbonylContact O-C 3.6Å; K61-R64 WeakPolarHBondContact O-CA 3.39Å; K61-R64 WeakPolarHBondContact O-CB 3.44Å; K61-R64 PolarHBondContact O-N 2.9Å; K61-Q65 PolarHBondContact O-N 2.79Å
62	E	59.5	Low	54.9	Low	80 Å²	80	138.3 Å²	138.3	37%	0.374	64%	0.636	S	S	.	*	H	α-helix	trans	-55.9	-45.8	177.9	-166.4	-152.3	154.5	0	0	111.6	L58 R64 Q65 R66	L58-E62 PolarHBondContact O-N 3.44Å; E62-R64 PolarHBondContact O-N 3.44Å; E62-Q65 PolarHBondContact O-N 3.44Å; E62-R66 WeakPolarHBondContact O-CB 3.48Å; E62-R66 WeakPolarHBondContact O-CG 3.26Å; E62-R66 PolarHBondContact O-N 2.89Å; E62-R66 IonicContact OE1-CZ 3.92Å; E62-R66 IonicContact OE1-NE 3.88Å; E62-R66 PolarHBondContact OE1-NE 2.82Å; E62-R66 IonicContact OE1-NH2 3.65Å; E62-R66 PolarHBondContact OE1-NH2 2.85Å
63	R	54.1	Low	53.2	Low	184 Å²	184	139.4 Å²	139.4	69%	0.694	64%	0.643	S	S	*	*	H	α-helix	trans	-67.2	-15.7	174.3	-75.5	174.6	172.8	-173.6	-2.3	114.8	K59 K61 R67	K59-R63 VanDerWaalsContact O-CB 3.28Å; K59-R63 WeakPolarHBondContact O-CB 3.38Å; K59-R63 VanDerWaalsContact O-CG 3.22Å; K59-R63 WeakPolarHBondContact O-CG 3.25Å; K59-R63 PolarHBondContact O-N 2.8Å; K61-R63 VanDerWaalsContact C-N 3.33Å; K61-R63 PolarHBondContact O-N 2.89Å; R63-R67 VanDerWaalsContact O-CD 3.32Å; R63-R67 WeakPolarHBondContact O-CD 3.33Å; R63-R67 VanDerWaalsContact O-CG 3.27Å; R63-R67 WeakPolarHBondContact O-CG 3.38Å
64	R	50.4	Low	51.1	Low	178 Å²	178	144.7 Å²	144.7	67%	0.672	66%	0.662	S	S	*	*	H	α-helix	trans	-88.3	-38.5	169.4	-79.9	176.7	168.1	-169.1	-5.1	111.2	K60 K61 E62 R67 L68	K60-R64 WeakPolarHBondContact O-CG 3.3Å; K60-R64 PolarHBondContact O-N 2.85Å; K61-R64 CarbonylContact O-C 3.6Å; K61-R64 WeakPolarHBondContact O-CA 3.39Å; K61-R64 WeakPolarHBondContact O-CB 3.44Å; K61-R64 PolarHBondContact O-N 2.9Å; E62-R64 PolarHBondContact O-N 3.44Å; R64-R67 WeakPolarHBondContact O-CA 3.4Å; R64-R67 WeakPolarHBondContact O-CB 3.36Å; R64-R67 PolarHBondContact O-N 3.49Å; R64-L68 PolarHBondContact O-N 2.98Å
65	Q	49.7	Very low	49.1	Very low	142 Å²	142	144.6 Å²	144.6	66%	0.664	68%	0.679	S	S	*	*	H	α-helix	trans	-62.7	-46.3	175.6	-154.8	166.7	6.8	0	0	110.6	K61 E62 R67 L68 S69	K61-Q65 PolarHBondContact O-N 2.79Å; E62-Q65 PolarHBondContact O-N 3.44Å; Q65-R67 PolarHBondContact O-N 3.5Å; Q65-L68 PolarHBondContact O-N 3.06Å; Q65-S69 PolarHBondContact O-OG 2.8Å
66	R	47	Very low	46.9	Very low	185 Å²	185	148.1 Å²	148.1	70%	0.698	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	3.8	169	-64.8	-179.1	-174.4	-106.7	8	115.3	E62	E62-R66 WeakPolarHBondContact O-CB 3.48Å; E62-R66 WeakPolarHBondContact O-CG 3.26Å; E62-R66 PolarHBondContact O-N 2.89Å; E62-R66 IonicContact OE1-CZ 3.92Å; E62-R66 IonicContact OE1-NE 3.88Å; E62-R66 PolarHBondContact OE1-NE 2.82Å; E62-R66 IonicContact OE1-NH2 3.65Å; E62-R66 PolarHBondContact OE1-NH2 2.85Å
67	R	43	Very low	45.1	Very low	208 Å²	208	151.7 Å²	151.7	79%	0.785	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.8	-7.3	173.3	-76.3	178.3	177.1	-155.3	-2.5	113.1	R63 R64 Q65	R63-R67 VanDerWaalsContact O-CD 3.32Å; R63-R67 WeakPolarHBondContact O-CD 3.33Å; R63-R67 VanDerWaalsContact O-CG 3.27Å; R63-R67 WeakPolarHBondContact O-CG 3.38Å; R64-R67 WeakPolarHBondContact O-CA 3.4Å; R64-R67 WeakPolarHBondContact O-CB 3.36Å; R64-R67 PolarHBondContact O-N 3.49Å; Q65-R67 PolarHBondContact O-N 3.5Å
68	L	40.5	Very low	43.4	Very low	154 Å²	154	154 Å²	154	81%	0.806	73%	0.726	S	S	*	*	S	Bend	trans	-98.8	9.6	174.8	-73.5	163	0	0	0	111.9	R64 Q65	R64-L68 PolarHBondContact O-N 2.98Å; Q65-L68 PolarHBondContact O-N 3.06Å
69	S	39.3	Very low	41.6	Very low	92 Å²	92	160.1 Å²	160.1	64%	0.643	74%	0.741	S	S	*	*			trans	-141.6	80.4	177.3	48.6	0	0	0	0	113.4	Q65	Q65-S69 PolarHBondContact O-OG 2.8Å
70	P	40	Very low	39.7	Very low	99 Å²	99	161 Å²	161	64%	0.643	76%	0.756	S	S	*	*			trans	-106.9	158.2	150.1	37	-28.1	0	0	0	111.3
71	E	29.5	Very low	37.8	Very low	188 Å²	188	163 Å²	163	88%	0.879	77%	0.765	S	S	*	*			trans	71.3	125.6	-179.9	-52.6	178.6	171.6	0	0	113.9
72	L	32.2	Very low	36	Very low	175 Å²	175	162.8 Å²	162.8	92%	0.916	77%	0.77	S	S	*	*	S	Bend	cis	-116	117.6	5.9	-67.7	97.3	0	0	0	113.4
73	E	31.2	Very low	34.2	Very low	172 Å²	172	167.1 Å²	167.1	80%	0.804	79%	0.79	S	S	*	*	S	Bend	trans	-172.6	93	141.2	-118.6	-145.5	143.7	0	0	111.1
74	K	28.8	Very low	32.7	Very low	203 Å²	203	162.4 Å²	162.4	88%	0.883	78%	0.782	S	S	*	*			trans	176.4	60	151.8	-97.3	160	-161.5	87.5	0	115.3
75	G	26	Very low	31.5	Very low	72 Å²	72	161.3 Å²	161.3	74%	0.742	78%	0.784	S	S	*	*			trans	-101.2	136.2	140.4	0	0	0	0	0	108.1
76	L	27.6	Very low	30.3	Very low	165 Å²	165	161 Å²	161	86%	0.864	78%	0.782	S	S	*	*	S	Bend	cis	-129.5	137.8	-8.3	-67.2	77.5	0	0	0	108.6
77	K	27.9	Very low	29.2	Very low	206 Å²	206	159.8 Å²	159.8	90%	0.896	79%	0.788	S	S	*	*	S	Bend	trans	-168.3	55.6	159.6	-112.3	154	-169.9	169.4	0	115.7
78	K	26.7	Very low	28.4	Very low	210 Å²	210	152.9 Å²	152.9	91%	0.913	78%	0.782	S	S	*	*			trans	177.9	115.7	146.6	-103.6	163.8	-176.9	178.6	0	113.8
79	R	25.5	Very low	27.8	Very low	243 Å²	243	153.4 Å²	153.4	92%	0.917	78%	0.78	S	S	*	*			trans	-138.3	92.5	145.4	-153.1	172.7	-168	-164.9	3.8	104.5
80	V	25.3	Very low	27.2	Very low	138 Å²	138	153.8 Å²	153.8	84%	0.836	78%	0.775	S	S	*	*				80.7	155.9	100.2	170.7	0	0	0	0	111.3
81	K	25.3	Very low	26.5	Very low	180 Å²	180	158.1 Å²	158.1	78%	0.783	78%	0.779	S	S	*	*			trans	-117.9	155.8	-152.8	-131.4	-173.4	-179.1	-172.1	0	112
82	L	25.6	Very low	26.5	Very low	145 Å²	145	159.2 Å²	159.2	76%	0.759	78%	0.775	S	S	*	*			trans	83.3	143	149.6	-72.9	162	0	0	0	121.7
83	H	22.6	Very low	26.1	Very low	171 Å²	171	155.7 Å²	155.7	79%	0.792	77%	0.765	S	S	*	*			trans	71.6	139.9	163.8	-99.2	51.8	0	0	0	118.7
84	T	22.2	Very low	25.9	Very low	85 Å²	85	150.6 Å²	150.6	52%	0.521	76%	0.759	S	S	.	*			cis	-173.4	159.8	-22.1	-99.4	0	0	0	0	108.1
85	Q	24.6	Very low	25.9	Very low	155 Å²	155	149.7 Å²	149.7	72%	0.724	76%	0.758	S	S	*	*			trans	67.9	152.1	169.7	-84.2	169.3	-63.4	0	0	116
86	E	24.9	Very low	25.8	Very low	134 Å²	134	153 Å²	153	63%	0.626	76%	0.758	S	S	*	*			cis	-158.2	165.2	-11.6	-137.8	165.9	-133.9	0	0	110.5
87	I	24.1	Very low	25.9	Very low	161 Å²	161	148.3 Å²	148.3	83%	0.826	75%	0.75	S	S	*	*			trans	58.8	130.3	161.7	-62	154.1	0	0	0	117
88	G	26.3	Very low	26	Very low	63 Å²	63	146.7 Å²	146.7	65%	0.649	75%	0.746	S	S	*	*			cis	179.4	-167.7	-0.8	0	0	0	0	0	112.8
89	E	27.5	Very low	26	Very low	164 Å²	164	144.1 Å²	144.1	77%	0.766	74%	0.742	S	S	*	*			trans	-2.9	147.6	165.1	-63.9	-160.4	-178.3	0	0	120.7
90	N	26.8	Very low	26.2	Very low	101 Å²	101	136.3 Å²	136.3	54%	0.54	74%	0.737	S	S	.	*			cis	-164.1	161.1	32.8	-132	-31.7	0	0	0	114.2
91	R	26.2	Very low	26.3	Very low	189 Å²	189	138.5 Å²	138.5	71%	0.713	74%	0.738	S	S	*	*			trans	41.1	141.3	141	-79.4	162.1	-143.2	-152.1	4.3	121.5
92	R	28.7	Very low	26.5	Very low	211 Å²	211	136.7 Å²	136.7	80%	0.796	74%	0.735	S	S	*	*			cis	-168	172.4	-2.9	-140.5	178.3	-166.4	-175.6	1.2	110.8
93	S	25.3	Very low	26.6	Very low	102 Å²	102	136.5 Å²	136.5	71%	0.713	74%	0.735	S	S	*	*			trans	7	138.5	151.7	54.6	0	0	0	0	120.2
94	G	26.3	Very low	27	Very low	65 Å²	65	133.7 Å²	133.7	67%	0.67	74%	0.735	S	S	*	*			cis	117	157.5	8	0	0	0	0	0	112.7
95	E	27.8	Very low	27.5	Very low	184 Å²	184	136.7 Å²	136.7	86%	0.86	75%	0.748	S	S	*	*			trans	63.5	162.5	177.8	-56.3	-158	88.6	0	0	114.4
96	N	25.7	Very low	27.7	Very low	140 Å²	140	136.7 Å²	136.7	75%	0.749	75%	0.753	S	S	*	*			cis	-179.4	166.1	-28.3	-96	-35.1	0	0	0	104.2
97	G	28.9	Very low	27.8	Very low	68 Å²	68	137 Å²	137	70%	0.701	76%	0.759	S	S	*	*			trans	96.3	113.9	176.4	0	0	0	0	0	112.3
98	Q	29.5	Very low	27.8	Very low	172 Å²	172	134.2 Å²	134.2	80%	0.804	75%	0.752	S	S	*	*			cis	89.6	120.3	44.9	-71.1	-165.3	-11.2	0	0	115
99	N	27.3	Very low	27.7	Very low	155 Å²	155	136.8 Å²	136.8	83%	0.829	76%	0.755	S	S	*	*			trans	72.6	136.6	149.4	-51.5	-12.2	0	0	0	118.5
100	G	28.9	Very low	27.6	Very low	79 Å²	79	137.2 Å²	137.2	81%	0.814	76%	0.757	S	S	*	*			trans	164.9	77.6	179.8	0	0	0	0	0	112.3
101	E	28.3	Very low	27.8	Very low	184 Å²	184	139.7 Å²	139.7	86%	0.86	77%	0.771	S	S	*	*			trans	-69	156.3	157.5	-60.2	173.5	142.2	0	0	107.6
102	I	29.2	Very low	27.7	Very low	142 Å²	142	137.7 Å²	137.7	73%	0.728	77%	0.773	S	S	*	*			cis	-160.5	178	42.4	-132	136.6	0	0	0	110.9
103	D	28.6	Very low	27.6	Very low	142 Å²	142	135.6 Å²	135.6	76%	0.759	77%	0.774	S	S	*	*			trans	-32.1	154.7	169.6	-41.7	-44.5	0	0	0	116.3
104	S	30.8	Very low	28.1	Very low	112 Å²	112	136 Å²	136	78%	0.783	78%	0.777	S	S	*	*				-165	173.7	58.3	60.8	0	0	0	0	115.8
105	D	31.2	Very low	28.7	Very low	147 Å²	147	137.7 Å²	137.7	79%	0.786	78%	0.776	S	S	*	*			trans	-62	159.5	176	-45	-84.3	0	0	0	113.1
106	D	28.7	Very low	28.7	Very low	156 Å²	156	136.3 Å²	136.3	83%	0.834	77%	0.773	S	S	*	*				-178.1	159	67.5	-145.9	-14.9	0	0	0	114.5
107	N	27	Very low	28.8	Very low	140 Å²	140	135.9 Å²	135.9	75%	0.749	77%	0.767	S	S	*	*			trans	67.3	170.4	149	-146	14	0	0	0	124.9
108	C	24.4	Very low	28.8	Very low	103 Å²	103	140.2 Å²	140.2	70%	0.696	77%	0.769	S	S	*	*			trans	-67.1	172.9	-178.8	-52.9	0	0	0	0	114.9
109	T	25.1	Very low	28.8	Very low	116 Å²	116	140.5 Å²	140.5	71%	0.712	77%	0.77	S	S	*	*				-165.7	148.7	77.7	42	0	0	0	0	116.7
110	E	25.6	Very low	28.7	Very low	173 Å²	173	138.6 Å²	138.6	81%	0.808	77%	0.769	S	S	*	*			trans	63.8	149.6	137.5	-65.6	179.7	171.1	0	0	124.3
111	D	29.7	Very low	28.6	Very low	153 Å²	153	137.7 Å²	137.7	82%	0.818	76%	0.76	S	S	*	*			trans	-74.8	177.5	168.5	-55.7	-86	0	0	0	113.1
112	I	25.9	Very low	28.6	Very low	147 Å²	147	134.4 Å²	134.4	75%	0.754	76%	0.756	S	S	*	*				162.2	149.4	123.8	-84.6	164.4	0	0	0	113.4
113	M	26.1	Very low	28.6	Very low	168 Å²	168	135.8 Å²	135.8	83%	0.828	76%	0.76	S	S	*	*			trans	76.1	114.9	161.3	-86.4	160.2	66	0	0	122.6
114	S	35.9	Very low	28.7	Very low	110 Å²	110	138.7 Å²	138.7	77%	0.769	77%	0.769	S	S	*	*			trans	-89.3	163.9	132.9	-44.5	0	0	0	0	108.9
115	P	38.3	Very low	28.8	Very low	101 Å²	101	140.9 Å²	140.9	66%	0.656	77%	0.771	S	S	*	*				-160	152.1	83.2	39.4	-18.4	0	0	0	119.6
116	L	28.4	Very low	28.8	Very low	154 Å²	154	142.5 Å²	142.5	81%	0.806	77%	0.774	S	S	*	*			trans	57.4	-175.2	150.1	-55.4	168.8	0	0	0	117.7
117	Q	27.3	Very low	28.9	Very low	131 Å²	131	138.4 Å²	138.4	61%	0.612	77%	0.769	S	S	*	*			cis	-157.8	149.2	-4.2	-147.5	166.4	-48.3	0	0	112
118	E	27.9	Very low	29.1	Very low	160 Å²	160	140.7 Å²	140.7	75%	0.748	78%	0.775	S	S	*	*			trans	54.4	160.3	155.8	-80.3	148.7	-143.4	0	0	120.3
119	E	29.5	Very low	29.3	Very low	177 Å²	177	143.5 Å²	143.5	83%	0.827	78%	0.783	S	S	*	*			cis	-155.8	-177.8	2.3	-143.2	-165	178.4	0	0	112.4
120	S	26.3	Very low	29.9	Very low	115 Å²	115	147.3 Å²	147.3	80%	0.804	79%	0.793	S	S	*	*			trans	95.3	104.1	150.8	-148.4	0	0	0	0	122
121	G	26.4	Very low	30.2	Very low	61 Å²	61	148 Å²	148	63%	0.629	80%	0.796	S	S	*	*				105.9	98.8	96.4	0	0	0	0	0	121.8
122	C	28.1	Very low	30.2	Very low	115 Å²	115	146.7 Å²	146.7	78%	0.777	79%	0.785	S	S	*	*			trans	50	156.4	132.7	-54.5	0	0	0	0	121.9
123	E	30.4	Very low	30.6	Very low	171 Å²	171	143.5 Å²	143.5	80%	0.799	79%	0.788	S	S	*	*			cis	-167.2	154.2	-14.8	-112.6	162.5	-131.7	0	0	108.6
124	E	29.7	Very low	30.8	Very low	203 Å²	203	145.2 Å²	145.2	95%	0.949	79%	0.786	S	S	*	*			trans	170.5	159.9	134.2	-95.3	177	-168.7	0	0	110.4
125	D	32	Very low	31	Very low	157 Å²	157	149 Å²	149	84%	0.84	79%	0.791	S	S	*	*			trans	-138.1	-167.5	-152.5	-166.7	14.8	0	0	0	113.2
126	E	32.5	Very low	30.5	Very low	181 Å²	181	153 Å²	153	85%	0.846	80%	0.801	S	S	*	*			trans	94.8	99.8	171.5	-59.1	-170.7	-176.1	0	0	117
127	G	30.8	Very low	31.1	Very low	70 Å²	70	155 Å²	155	72%	0.722	81%	0.807	S	S	*	*				66.6	152.4	96.8	0	0	0	0	0	119.9
128	E	31.9	Very low	31.1	Very low	188 Å²	188	155.5 Å²	155.5	88%	0.879	81%	0.813	S	S	*	*			cis	-147.7	-175.3	-9.7	-74.5	-167.9	124.4	0	0	108.7
129	D	28.3	Very low	31.7	Very low	163 Å²	163	155 Å²	155	87%	0.872	82%	0.816	S	S	*	*			trans	116	79.3	165.3	-65.5	-8.9	0	0	0	115.7
130	E	36	Very low	31.7	Very low	195 Å²	195	155.3 Å²	155.3	91%	0.911	82%	0.815	S	S	*	*			trans	-87.5	140.3	147.8	-61.1	-174.7	157.2	0	0	109.1
131	E	32.6	Very low	32.4	Very low	187 Å²	187	156.2 Å²	156.2	87%	0.874	81%	0.81	S	S	*	*			trans	-154	150.5	145.8	-127.9	-172.3	-172.5	0	0	113.9
132	E	30.2	Very low	32.6	Very low	127 Å²	127	157.1 Å²	157.1	59%	0.593	81%	0.807	S	S	*	*			trans	11.4	120.8	176.7	-59.5	-158.7	158.2	0	0	120.6	R134	E132-R134 IonicContact OE1-NH2 2.71Å; E132-R134 PolarHBondContact OE1-NH2 3.39Å; E132-R134 IonicContact OE2-CZ 2.67Å; E132-R134 IonicContact OE2-NE 2.78Å; E132-R134 PolarHBondContact OE2-NE 2.88Å; E132-R134 IonicContact OE2-NH2 3.17Å; E132-R134 PolarHBondContact OE2-NH2 2.61Å
133	G	35.1	Very low	33.1	Very low	79 Å²	79	157.3 Å²	157.3	81%	0.814	80%	0.801	S	S	*	*			trans	-79.6	142	140.2	0	0	0	0	0	110.5
134	R	29.7	Very low	33.3	Very low	205 Å²	205	157.5 Å²	157.5	77%	0.774	80%	0.801	S	S	*	*			trans	-130.4	141.4	161.4	-74.2	-170.6	-176.8	-127.2	-9.8	110.3	E132	E132-R134 IonicContact OE1-NH2 2.71Å; E132-R134 PolarHBondContact OE1-NH2 3.39Å; E132-R134 IonicContact OE2-CZ 2.67Å; E132-R134 IonicContact OE2-NE 2.78Å; E132-R134 PolarHBondContact OE2-NE 2.88Å; E132-R134 IonicContact OE2-NH2 3.17Å; E132-R134 PolarHBondContact OE2-NH2 2.61Å
135	E	38.8	Very low	33.6	Very low	190 Å²	190	152.3 Å²	152.3	89%	0.888	79%	0.788	S	S	*	*			trans	-75.9	125.9	168.1	-61.8	158	166.2	0	0	108.7
136	E	29.6	Very low	33.8	Very low	184 Å²	184	151.5 Å²	151.5	86%	0.86	78%	0.782	S	S	*	*			trans	-134.9	97.3	148.3	-73.1	-169.9	159.9	0	0	106.2
137	E	39.3	Very low	34.6	Very low	197 Å²	197	148.7 Å²	148.7	92%	0.921	78%	0.777	S	S	*	*			trans	-66	122.1	154.8	-65.5	-179.7	150.2	0	0	106.7
138	D	27.7	Very low	35	Very low	140 Å²	140	152.2 Å²	152.2	75%	0.749	78%	0.78	S	S	*	*			trans	-144.6	93.9	170.2	-144.3	16.4	0	0	0	107.5	F140	D138-F140 PolarHBondContact O-N 3.36Å
139	D	41	Very low	35.5	Very low	151 Å²	151	146.7 Å²	146.7	81%	0.807	76%	0.762	S	S	*	*			trans	-67	123.3	178.7	179.3	25.3	0	0	0	109.8
140	F	29.6	Very low	36.1	Very low	183 Å²	183	146.4 Å²	146.4	80%	0.803	76%	0.761	S	S	*	*			trans	-153.5	93.1	174.8	-116.4	-70.7	0	0	0	111.8	D138	D138-F140 PolarHBondContact O-N 3.36Å
141	D	40.9	Very low	36.6	Very low	133 Å²	133	141.8 Å²	141.8	71%	0.711	75%	0.749	S	S	*	*			trans	-60.5	143.1	173.1	-149	-17	0	0	0	111.8
142	S	30.6	Very low	37.4	Very low	81 Å²	81	135.9 Å²	135.9	57%	0.566	72%	0.724	S	S	*	*			trans	-171.2	88.1	175.2	178.3	0	0	0	0	109.5
143	D	38.2	Very low	38.5	Very low	119 Å²	119	133.1 Å²	133.1	64%	0.636	72%	0.719	S	S	*	*			trans	-56.1	155	153.2	-176.9	31.7	0	0	0	110.6	S145	D143-S145 PolarHBondContact OD1-N 2.78Å; D143-S145 VanDerWaalsContact OD1-N 3.09Å; D143-S145 PolarHBondContact OD1-OG 2.83Å
144	E	34.5	Very low	39.4	Very low	174 Å²	174	135.2 Å²	135.2	81%	0.813	71%	0.711	S	S	*	*			trans	167.7	65.4	164.5	-97.8	-79.8	-176.2	0	0	104.9	L146	E144-L146 VanDerWaalsContact C-N 3.31Å; E144-L146 PolarHBondContact O-N 2.89Å
145	S	35.9	Very low	40.8	Very low	95 Å²	95	130.4 Å²	130.4	66%	0.664	70%	0.697	S	S	*	*			trans	-70.3	78.2	-172.7	42.5	0	0	0	0	113	D143 V147	D143-S145 PolarHBondContact OD1-N 2.78Å; D143-S145 VanDerWaalsContact OD1-N 3.09Å; D143-S145 PolarHBondContact OD1-OG 2.83Å; S145-V147 PolarHBondContact O-N 2.85Å
146	L	36	Very low	41.7	Very low	139 Å²	139	128.7 Å²	128.7	73%	0.728	69%	0.687	S	S	*	*			trans	-60	103.8	175.4	-176.8	71.2	0	0	0	111.6	E144 D148	E144-L146 VanDerWaalsContact C-N 3.31Å; E144-L146 PolarHBondContact O-N 2.89Å; L146-D148 PolarHBondContact O-N 3.32Å
147	V	49.6	Very low	43.2	Very low	122 Å²	122	122.9 Å²	122.9	74%	0.739	67%	0.67	S	S	*	*			trans	-54.6	114.3	175.6	-73.1	0	0	0	0	113.2	S145	S145-V147 PolarHBondContact O-N 2.85Å
148	D	39.4	Very low	44.7	Very low	145 Å²	145	118 Å²	118	78%	0.775	65%	0.651	S	S	*	*			trans	172	101.3	151.1	-97.3	-22.9	0	0	0	110.1	L146	L146-D148 PolarHBondContact O-N 3.32Å
149	S	41.8	Very low	47.1	Very low	72 Å²	72	114.3 Å²	114.3	50%	0.503	63%	0.628	S	S	.	*			trans	-178.8	41.7	140	-122.6	0	0	0	0	115.9	S151 D152	S149-S151 PolarHBondContact O-N 2.8Å; S149-D152 WeakPolarHBondContact CB-OD2 3.39Å; S149-D152 PolarHBondContact O-N 2.97Å; S149-D152 PolarHBondContact OG-OD2 2.98Å
150	D	42.3	Very low	48.9	Very low	157 Å²	157	112.4 Å²	112.4	84%	0.84	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-8.5	176.6	-73.7	-20.1	0	0	0	114.8	S153	D150-S153 PolarHBondContact O-OG 3.39Å
151	S	46.3	Very low	51.5	Low	97 Å²	97	106.1 Å²	106.1	68%	0.678	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-13.1	179.8	-169.2	0	0	0	0	114.7	S149	S149-S151 PolarHBondContact O-N 2.8Å
152	D	49.3	Very low	53.6	Low	63 Å²	63	103.4 Å²	103.4	34%	0.337	58%	0.582	S	S	.	*	S	Bend	trans	-93.1	-14.9	-172.7	-75.5	-64.8	0	0	0	114	S149 R300	S149-D152 WeakPolarHBondContact CB-OD2 3.39Å; S149-D152 PolarHBondContact O-N 2.97Å; S149-D152 PolarHBondContact OG-OD2 2.98Å; D152-R300 PolarHBondContact O-NH1 2.83Å; D152-R300 PolarHBondContact O-NH2 3.35Å
153	S	52.5	Low	56.4	Low	69 Å²	69	100.7 Å²	100.7	48%	0.483	56%	0.561	S	S	.	*	H	α-helix	trans	-74.7	-47.4	-178	50.8	0	0	0	0	112.6	D150 E155 K156 A157	D150-S153 PolarHBondContact O-OG 3.39Å; S153-E155 PolarHBondContact O-N 3.47Å; S153-K156 WeakPolarHBondContact O-CB 3.46Å; S153-K156 PolarHBondContact O-N 3.42Å; S153-K156 VanDerWaalsContact O-N 3.12Å; S153-A157 PolarHBondContact O-N 2.92Å; S153-A157 VanDerWaalsContact O-N 3.11Å
154	D	54	Low	58.7	Low	123 Å²	123	97.6 Å²	97.6	66%	0.658	55%	0.552	S	S	*	*	H	α-helix	trans	-55.2	-44.7	-176.3	-85.5	-8.3	0	0	0	113.1	K156 A157 N158	D154-K156 VanDerWaalsContact C-N 3.33Å; D154-K156 PolarHBondContact O-N 3.37Å; D154-A157 PolarHBondContact O-N 3.35Å; D154-N158 PolarHBondContact O-N 3.33Å
155	E	58.7	Low	61.3	Low	104 Å²	104	95 Å²	95	49%	0.486	54%	0.543	S	S	.	.	H	α-helix	trans	-62.2	-40.2	179.5	-65.6	-168	152.7	0	0	112.1	S153 N158 F159 R300	S153-E155 PolarHBondContact O-N 3.47Å; E155-N158 PolarHBondContact O-N 2.83Å; E155-F159 WeakPolarHBondContact O-CD2 3.45Å; E155-F159 PolarHBondContact O-N 2.88Å; E155-F159 VanDerWaalsContact O-N 3.13Å; E155-R300 IonicContact OE2-NH2 3.75Å
156	K	57.9	Low	64	Low	154 Å²	154	91.8 Å²	91.8	67%	0.67	52%	0.519	S	S	*	.	H	α-helix	trans	-67	-40	178.8	-175.1	-173.2	174.6	-168	0	111	S153 D154 Q160	S153-K156 WeakPolarHBondContact O-CB 3.46Å; S153-K156 PolarHBondContact O-N 3.42Å; S153-K156 VanDerWaalsContact O-N 3.12Å; D154-K156 VanDerWaalsContact C-N 3.33Å; D154-K156 PolarHBondContact O-N 3.37Å; K156-Q160 PolarHBondContact O-N 2.94Å
157	A	60.6	Low	66.6	Low	62 Å²	62	86.8 Å²	86.8	51%	0.512	49%	0.494	S	S	.	.	H	α-helix	trans	-63.3	-41.4	174	0	0	0	0	0	111.6	S153 D154 Q160 A161	S153-A157 PolarHBondContact O-N 2.92Å; S153-A157 VanDerWaalsContact O-N 3.11Å; D154-A157 PolarHBondContact O-N 3.35Å; A157-Q160 PolarHBondContact O-N 3.37Å; A157-A161 WeakPolarHBondContact O-CB 3.43Å; A157-A161 PolarHBondContact O-N 3.47Å
158	N	70.9	Confident	68.7	Low	95 Å²	95	84 Å²	84	51%	0.508	48%	0.479	S	S	.	.	H	α-helix	trans	-64.5	-47.1	-178.9	-161	95.7	0	0	0	112.5	D154 E155 Q160 A161 D162	D154-N158 PolarHBondContact O-N 3.33Å; E155-N158 PolarHBondContact O-N 2.83Å; N158-Q160 VanDerWaalsContact C-N 3.3Å; N158-Q160 PolarHBondContact O-N 2.91Å; N158-A161 PolarHBondContact O-N 3.02Å; N158-D162 PolarHBondContact ND2-OD2 3.35Å; N158-D162 PolarHBondContact O-N 3.4Å
159	F	78.6	Confident	71.2	Confident	63 Å²	63	81.3 Å²	81.3	28%	0.276	46%	0.462	S	S	.	.	H	α-helix	trans	-61.2	-37.1	177.1	-72.6	-62.8	0	0	0	113.1	E155 L163 L289	E155-F159 WeakPolarHBondContact O-CD2 3.45Å; E155-F159 PolarHBondContact O-N 2.88Å; E155-F159 VanDerWaalsContact O-N 3.13Å; F159-L163 WeakPolarHBondContact O-CB 3.09Å; F159-L163 PolarHBondContact O-N 3.26Å; F159-L163 VanDerWaalsContact O-N 3.16Å; F159-L289 HydrophobicContact CD1-CD1 3.9Å; F159-L289 HydrophobicContact CE1-CD1 4.4Å
160	Q	79.8	Confident	73.7	Confident	111 Å²	111	78.8 Å²	78.8	52%	0.519	44%	0.442	S	S	.	.	H	α-helix	trans	-69.8	-39.2	178.1	-169.2	69.6	8.7	0	0	111.6	K156 A157 N158 L163 A164	K156-Q160 PolarHBondContact O-N 2.94Å; A157-Q160 PolarHBondContact O-N 3.37Å; N158-Q160 VanDerWaalsContact C-N 3.3Å; N158-Q160 PolarHBondContact O-N 2.91Å; Q160-L163 PolarHBondContact O-N 2.96Å; Q160-A164 PolarHBondContact O-N 3.01Å; Q160-A164 VanDerWaalsContact O-N 3.07Å
161	A	83.1	Confident	76.1	Confident	51 Å²	51	75.8 Å²	75.8	42%	0.421	42%	0.423	S	S	.	.	H	α-helix	trans	-66.1	-48.8	175.3	0	0	0	0	0	112.1	A157 N158 L163 A164 D165	A157-A161 WeakPolarHBondContact O-CB 3.43Å; A157-A161 PolarHBondContact O-N 3.47Å; N158-A161 PolarHBondContact O-N 3.02Å; A161-L163 PolarHBondContact O-N 2.94Å; A161-A164 PolarHBondContact O-N 2.93Å; A161-D165 PolarHBondContact O-N 2.95Å
162	D	86	Confident	78.4	Confident	75 Å²	75	76.1 Å²	76.1	40%	0.401	42%	0.417	S	S	.	.	H	α-helix	trans	-56.6	-37.3	176.6	-75.2	-30.2	0	0	0	111.6	N158 L166 L289	N158-D162 PolarHBondContact ND2-OD2 3.35Å; N158-D162 PolarHBondContact O-N 3.4Å; D162-L166 WeakPolarHBondContact O-CB 3.43Å; D162-L166 PolarHBondContact O-N 3.2Å; D162-L166 VanDerWaalsContact O-N 3.11Å; D162-L289 HydrophobicContact CB-CD2 3.9Å
163	L	88.5	Confident	80.4	Confident	24 Å²	24	74.5 Å²	74.5	13%	0.126	41%	0.407	C	S	.	.	H	α-helix	trans	-72	-36.4	177.3	-175.3	146.7	0	0	0	112.8	F159 Q160 A161 T167 L289 M290	F159-L163 WeakPolarHBondContact O-CB 3.09Å; F159-L163 PolarHBondContact O-N 3.26Å; F159-L163 VanDerWaalsContact O-N 3.16Å; Q160-L163 PolarHBondContact O-N 2.96Å; A161-L163 PolarHBondContact O-N 2.94Å; L163-T167 WeakPolarHBondContact O-CB 3.22Å; L163-T167 PolarHBondContact O-N 2.88Å; L163-T167 VanDerWaalsContact O-N 3.09Å; L163-T167 PolarHBondContact O-OG1 3.44Å; L163-L289 HydrophobicContact CB-CD2 3.85Å; L163-M290 HydrophobicContact CD1-CG 3.45Å; L163-M290 VanDerWaalsContact CD1-CG 3.45Å; L163-M290 HydrophobicContact CD1-SD 4.47Å
164	A	86.3	Confident	82.4	Confident	54 Å²	54	73.9 Å²	73.9	45%	0.446	40%	0.396	S	S	.	.	H	α-helix	trans	-68.4	-50.3	176.4	0	0	0	0	0	111.4	Q160 A161 L166 T167 C168	Q160-A164 PolarHBondContact O-N 3.01Å; Q160-A164 VanDerWaalsContact O-N 3.07Å; A161-A164 PolarHBondContact O-N 2.93Å; A164-L166 PolarHBondContact O-N 2.87Å; A164-T167 WeakPolarHBondContact O-CB 3.26Å; A164-T167 PolarHBondContact O-N 2.82Å; A164-T167 VanDerWaalsContact O-N 3.1Å; A164-C168 PolarHBondContact O-N 3.34Å
165	D	89.8	Confident	84.2	Confident	120 Å²	120	74 Å²	74	64%	0.642	39%	0.391	S	S	*	.	H	α-helix	trans	-58	-47.1	177.6	-87.2	3	0	0	0	111.3	A161 T167 C168 E169	A161-D165 PolarHBondContact O-N 2.95Å; D165-T167 VanDerWaalsContact C-N 3.29Å; D165-T167 PolarHBondContact O-N 3.48Å; D165-C168 WeakPolarHBondContact O-CB 3.33Å; D165-C168 PolarHBondContact O-N 2.9Å; D165-E169 PolarHBondContact O-N 3.08Å
166	L	92	Very high	85.8	Confident	28 Å²	28	72.6 Å²	72.6	15%	0.147	39%	0.386	C	S	.	.	H	α-helix	trans	-64.1	-32.6	177.5	-175.1	64	0	0	0	112.6	D162 A164 I170 M282 T285 K286	D162-L166 WeakPolarHBondContact O-CB 3.43Å; D162-L166 PolarHBondContact O-N 3.2Å; D162-L166 VanDerWaalsContact O-N 3.11Å; A164-L166 PolarHBondContact O-N 2.87Å; L166-I170 HydrophobicContact CG-CD1 4.33Å; L166-I170 WeakPolarHBondContact O-CD1 3.35Å; L166-I170 WeakPolarHBondContact O-CG1 3.5Å; L166-I170 PolarHBondContact O-N 3.3Å; L166-I170 VanDerWaalsContact O-N 3.14Å; L166-M282 HydrophobicContact CD1-CB 3.77Å; L166-M282 HydrophobicContact CD1-CG 3.88Å; L166-M282 HydrophobicContact CD1-SD 4.45Å; L166-T285 WeakPolarHBondContact CD2-OG1 3.35Å; L166-K286 HydrophobicContact CD2-CB 3.76Å; L166-K286 HydrophobicContact CG-CB 4.4Å
167	T	90.3	Very high	87.5	Confident	33 Å²	33	65.3 Å²	65.3	20%	0.202	35%	0.354	C	S	.	.	H	α-helix	trans	-68.8	-43.9	174.2	-59.1	0	0	0	0	111	L163 A164 D165 I170 E171 K286	L163-T167 WeakPolarHBondContact O-CB 3.22Å; L163-T167 PolarHBondContact O-N 2.88Å; L163-T167 VanDerWaalsContact O-N 3.09Å; L163-T167 PolarHBondContact O-OG1 3.44Å; A164-T167 WeakPolarHBondContact O-CB 3.26Å; A164-T167 PolarHBondContact O-N 2.82Å; A164-T167 VanDerWaalsContact O-N 3.1Å; D165-T167 VanDerWaalsContact C-N 3.29Å; D165-T167 PolarHBondContact O-N 3.48Å; T167-I170 PolarHBondContact O-N 3.05Å; T167-E171 PolarHBondContact O-N 2.95Å; T167-K286 WeakPolarHBondContact OG1-CE 3.44Å; T167-K286 PolarHBondContact OG1-NZ 3.05Å
168	C	93.7	Very high	89	Confident	64 Å²	64	65.6 Å²	65.6	43%	0.432	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-43.5	176.5	-165.7	0	0	0	0	111.9	A164 D165 I170 E171 I172	A164-C168 PolarHBondContact O-N 3.34Å; D165-C168 WeakPolarHBondContact O-CB 3.33Å; D165-C168 PolarHBondContact O-N 2.9Å; C168-I170 PolarHBondContact O-N 3.09Å; C168-E171 PolarHBondContact O-N 2.71Å; C168-I172 VanDerWaalsContact O-CG1 3.3Å; C168-I172 WeakPolarHBondContact O-CG1 3.38Å; C168-I172 PolarHBondContact O-N 3.34Å
169	E	92.1	Very high	90	Very high	89 Å²	89	67.6 Å²	67.6	42%	0.416	35%	0.354	S	S	.	.	H	α-helix	trans	-66.1	-36.5	177.7	-167.1	176	179.4	0	0	112.5	D165 K173 M282	D165-E169 PolarHBondContact O-N 3.08Å; E169-K173 HydrophobicContact CG-CD 4.08Å; E169-K173 WeakPolarHBondContact O-CB 3.33Å; E169-K173 WeakPolarHBondContact O-CG 3.4Å; E169-K173 PolarHBondContact O-N 2.93Å; E169-K173 WeakPolarHBondContact OE1-CE 3.32Å; E169-K173 IonicContact OE1-NZ 3.66Å; E169-K173 PolarHBondContact OE1-NZ 3.21Å; E169-M282 HydrophobicContact CB-SD 4.36Å; E169-M282 HydrophobicContact CG-SD 3.9Å
170	I	94.8	Very high	90.4	Very high	18 Å²	18	66 Å²	66	9%	0.092	35%	0.348	C	S	.	.	H	α-helix	trans	-60.8	-47.4	172.1	-72.1	164.4	0	0	0	110.7	L166 T167 C168 K173 Q174 M282 K283 K286	L166-I170 HydrophobicContact CG-CD1 4.33Å; L166-I170 WeakPolarHBondContact O-CD1 3.35Å; L166-I170 WeakPolarHBondContact O-CG1 3.5Å; L166-I170 PolarHBondContact O-N 3.3Å; L166-I170 VanDerWaalsContact O-N 3.14Å; T167-I170 PolarHBondContact O-N 3.05Å; C168-I170 PolarHBondContact O-N 3.09Å; I170-K173 PolarHBondContact O-N 3.32Å; I170-Q174 VanDerWaalsContact O-CB 3.31Å; I170-Q174 WeakPolarHBondContact O-CB 3.35Å; I170-Q174 PolarHBondContact O-N 3.05Å; I170-M282 HydrophobicContact CD1-CB 3.93Å; I170-M282 HydrophobicContact CG1-CB 3.59Å; I170-M282 HydrophobicContact CG1-CE 4.44Å; I170-K283 HydrophobicContact CD1-CG 4.2Å; I170-K283 HydrophobicContact CG2-CG 4.35Å; I170-K286 HydrophobicContact CD1-CB 4.34Å; I170-K286 HydrophobicContact CD1-CD 4.2Å
171	E	92.7	Very high	90.9	Very high	94 Å²	94	63.6 Å²	63.6	44%	0.439	34%	0.337	S	S	.	.	H	α-helix	trans	-62.9	-45.9	178.7	-79.7	-172.4	-136.9	0	0	113.1	T167 C168 K173 Q174 K175	T167-E171 PolarHBondContact O-N 2.95Å; C168-E171 PolarHBondContact O-N 2.71Å; E171-K173 VanDerWaalsContact C-N 3.31Å; E171-K173 PolarHBondContact O-N 3.27Å; E171-Q174 PolarHBondContact O-N 2.95Å; E171-K175 WeakPolarHBondContact O-CB 3.08Å; E171-K175 WeakPolarHBondContact O-CD 3.35Å; E171-K175 VanDerWaalsContact O-CG 3.32Å; E171-K175 WeakPolarHBondContact O-CG 3.48Å; E171-K175 PolarHBondContact O-N 2.73Å; E171-K175 IonicContact OE2-NZ 3.42Å; E171-K175 PolarHBondContact OE2-NZ 3.39Å
172	I	93.9	Very high	91.1	Very high	104 Å²	104	64.3 Å²	64.3	53%	0.533	33%	0.334	S	S	.	.	H	α-helix	trans	-61	-43.5	-179.9	-70	165.7	0	0	0	110.2	C168 L176	C168-I172 VanDerWaalsContact O-CG1 3.3Å; C168-I172 WeakPolarHBondContact O-CG1 3.38Å; C168-I172 PolarHBondContact O-N 3.34Å; I172-L176 PolarHBondContact O-N 3Å; I172-L176 VanDerWaalsContact O-N 3.14Å
173	K	91.9	Very high	91.1	Very high	30 Å²	30	64.2 Å²	64.2	13%	0.13	34%	0.338	C	S	.	.	H	α-helix	trans	-74.3	-30.6	178.4	-72.5	173.8	179.5	178.8	0	113.1	E169 I170 E171 L176 I177 L275 E278 V279 M282	E169-K173 HydrophobicContact CG-CD 4.08Å; E169-K173 WeakPolarHBondContact O-CB 3.33Å; E169-K173 WeakPolarHBondContact O-CG 3.4Å; E169-K173 PolarHBondContact O-N 2.93Å; E169-K173 WeakPolarHBondContact OE1-CE 3.32Å; E169-K173 IonicContact OE1-NZ 3.66Å; E169-K173 PolarHBondContact OE1-NZ 3.21Å; I170-K173 PolarHBondContact O-N 3.32Å; E171-K173 VanDerWaalsContact C-N 3.31Å; E171-K173 PolarHBondContact O-N 3.27Å; K173-L176 PolarHBondContact O-N 2.81Å; K173-I177 WeakPolarHBondContact O-CG1 3.48Å; K173-I177 PolarHBondContact O-N 2.74Å; K173-L275 HydrophobicContact CG-CD2 4.29Å; K173-E278 WeakPolarHBondContact CE-OE2 3.39Å; K173-E278 IonicContact NZ-OE2 2.94Å; K173-E278 PolarHBondContact NZ-OE2 3.12Å; K173-V279 HydrophobicContact CB-CG2 3.59Å; K173-M282 HydrophobicContact CB-CE 4.5Å; K173-M282 HydrophobicContact CD-CE 3.33Å; K173-M282 HydrophobicContact CD-SD 4.18Å
174	Q	94	Very high	90.9	Very high	55 Å²	55	65.1 Å²	65.1	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-50.6	171.1	-171.6	65.1	67.6	0	0	110.4	I170 E171 L176 I177 D178	I170-Q174 VanDerWaalsContact O-CB 3.31Å; I170-Q174 WeakPolarHBondContact O-CB 3.35Å; I170-Q174 PolarHBondContact O-N 3.05Å; E171-Q174 PolarHBondContact O-N 2.95Å; Q174-L176 PolarHBondContact O-N 2.91Å; Q174-L176 VanDerWaalsContact O-N 3.15Å; Q174-I177 WeakPolarHBondContact O-CA 3.32Å; Q174-I177 WeakPolarHBondContact O-CB 3.47Å; Q174-I177 PolarHBondContact O-N 3.06Å; Q174-D178 PolarHBondContact NE2-OD1 2.75Å; Q174-D178 PolarHBondContact O-N 2.96Å; Q174-D178 VanDerWaalsContact O-OD1 3.12Å
175	K	93.4	Very high	91	Very high	127 Å²	127	69.1 Å²	69.1	55%	0.552	35%	0.346	S	S	*	.	H	α-helix	trans	-55.1	-35.9	176.1	-71.7	159.3	180	160.4	0	112.2	E171 E179	E171-K175 WeakPolarHBondContact O-CB 3.08Å; E171-K175 WeakPolarHBondContact O-CD 3.35Å; E171-K175 VanDerWaalsContact O-CG 3.32Å; E171-K175 WeakPolarHBondContact O-CG 3.48Å; E171-K175 PolarHBondContact O-N 2.73Å; E171-K175 IonicContact OE2-NZ 3.42Å; E171-K175 PolarHBondContact OE2-NZ 3.39Å; K175-E179 PolarHBondContact O-N 2.65Å
176	L	92.6	Very high	90.8	Very high	74 Å²	74	71.6 Å²	71.6	39%	0.387	35%	0.346	S	S	.	.	H	α-helix	trans	-71.9	-36.9	174.4	-177.7	61.5	0	0	0	113.9	I172 K173 Q174 L180 L275	I172-L176 PolarHBondContact O-N 3Å; I172-L176 VanDerWaalsContact O-N 3.14Å; K173-L176 PolarHBondContact O-N 2.81Å; Q174-L176 PolarHBondContact O-N 2.91Å; Q174-L176 VanDerWaalsContact O-N 3.15Å; L176-L180 HydrophobicContact CD1-CD1 4.48Å; L176-L180 HydrophobicContact CG-CD1 4.32Å; L176-L180 WeakPolarHBondContact O-CB 3.42Å; L176-L180 VanDerWaalsContact O-CG 3.28Å; L176-L180 WeakPolarHBondContact O-CG 3.22Å; L176-L180 PolarHBondContact O-N 2.82Å; L176-L180 VanDerWaalsContact O-N 3.12Å; L176-L275 HydrophobicContact CD2-CD1 3.71Å; L176-L275 HydrophobicContact CD2-CD2 4.16Å; L176-L275 HydrophobicContact CG-CD1 3.87Å
177	I	93.3	Very high	90.4	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.3	-50.5	170.5	-72.9	164.5	0	0	0	109.1	K173 Q174 E179 L180 E181 L272 L275 V279	K173-I177 WeakPolarHBondContact O-CG1 3.48Å; K173-I177 PolarHBondContact O-N 2.74Å; Q174-I177 WeakPolarHBondContact O-CA 3.32Å; Q174-I177 WeakPolarHBondContact O-CB 3.47Å; Q174-I177 PolarHBondContact O-N 3.06Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 2.99Å; I177-L180 PolarHBondContact O-N 3.48Å; I177-L180 VanDerWaalsContact O-N 3.14Å; I177-E181 HydrophobicContact CG2-CG 4.49Å; I177-E181 PolarHBondContact O-N 2.87Å; I177-L272 HydrophobicContact CB-CD1 4.33Å; I177-L272 HydrophobicContact CG1-CD1 4.49Å; I177-L272 HydrophobicContact CG2-CD1 3.97Å; I177-L275 HydrophobicContact CD1-CB 3.98Å; I177-L275 HydrophobicContact CG1-CB 3.66Å; I177-L275 HydrophobicContact CG1-CD1 4.44Å; I177-V279 HydrophobicContact CD1-CB 4.25Å; I177-V279 HydrophobicContact CD1-CG2 3.79Å
178	D	92	Very high	90.1	Very high	69 Å²	69	76 Å²	76	37%	0.369	37%	0.367	S	S	.	.	H	α-helix	trans	-60.8	-41.7	-176.1	-51.5	-20.8	0	0	0	111.3	Q174 N182	Q174-D178 PolarHBondContact NE2-OD1 2.75Å; Q174-D178 PolarHBondContact O-N 2.96Å; Q174-D178 VanDerWaalsContact O-OD1 3.12Å; D178-N182 VanDerWaalsContact O-CB 3.32Å; D178-N182 WeakPolarHBondContact O-CB 3.47Å; D178-N182 PolarHBondContact O-N 2.91Å
179	E	90.7	Very high	89.7	Confident	137 Å²	137	78.5 Å²	78.5	64%	0.64	37%	0.374	S	S	*	.	H	α-helix	trans	-65	-43.5	174.7	-173.6	177.1	-165.3	0	0	112.5	K175 I177 E181 N182 S183	K175-E179 PolarHBondContact O-N 2.65Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 2.99Å; E179-E181 PolarHBondContact O-N 3.26Å; E179-N182 PolarHBondContact O-N 2.85Å; E179-S183 WeakPolarHBondContact O-CB 3.42Å; E179-S183 PolarHBondContact O-N 2.93Å
180	L	88	Confident	89.3	Confident	29 Å²	29	77.8 Å²	77.8	15%	0.152	37%	0.373	C	S	.	.	H	α-helix	trans	-63.6	-39.6	177.6	-75.5	170.4	0	0	0	111.9	L176 I177 S183 Q184 Y268 L272 L275	L176-L180 HydrophobicContact CD1-CD1 4.48Å; L176-L180 HydrophobicContact CG-CD1 4.32Å; L176-L180 WeakPolarHBondContact O-CB 3.42Å; L176-L180 VanDerWaalsContact O-CG 3.28Å; L176-L180 WeakPolarHBondContact O-CG 3.22Å; L176-L180 PolarHBondContact O-N 2.82Å; L176-L180 VanDerWaalsContact O-N 3.12Å; I177-L180 PolarHBondContact O-N 3.48Å; I177-L180 VanDerWaalsContact O-N 3.14Å; L180-S183 WeakPolarHBondContact O-CB 3.3Å; L180-S183 PolarHBondContact O-N 2.98Å; L180-Q184 WeakPolarHBondContact O-CG 3.32Å; L180-Q184 PolarHBondContact O-N 2.88Å; L180-Y268 HydrophobicContact CD2-CD1 4.15Å; L180-L272 HydrophobicContact CB-CD1 3.69Å; L180-L272 HydrophobicContact CD1-CD1 4.28Å; L180-L275 HydrophobicContact CD1-CD1 3.74Å
181	E	89.2	Confident	88.7	Confident	60 Å²	60	79.9 Å²	79.9	28%	0.28	38%	0.381	S	S	.	.	H	α-helix	trans	-66.3	-42.2	173	-71.3	-171.6	-178.1	0	0	112.6	I177 E179 S183 Q184 R185 L272	I177-E181 HydrophobicContact CG2-CG 4.49Å; I177-E181 PolarHBondContact O-N 2.87Å; E179-E181 PolarHBondContact O-N 3.26Å; E181-S183 VanDerWaalsContact C-N 3.27Å; E181-S183 PolarHBondContact O-N 3.25Å; E181-Q184 PolarHBondContact O-N 3.28Å; E181-R185 WeakPolarHBondContact O-CG 3.32Å; E181-R185 PolarHBondContact O-N 2.91Å; E181-R185 IonicContact OE2-CZ 3.99Å; E181-R185 IonicContact OE2-NH2 2.76Å; E181-R185 PolarHBondContact OE2-NH2 3.45Å; E181-L272 HydrophobicContact CG-CD1 4.02Å; E181-L272 HydrophobicContact CG-CD2 4.17Å
182	N	87.7	Confident	88.3	Confident	67 Å²	67	80.8 Å²	80.8	36%	0.358	39%	0.389	S	S	.	.	H	α-helix	trans	-64.1	-36.6	178.3	-146.9	-32.7	0	0	0	110.5	D178 E179 R185 R186	D178-N182 VanDerWaalsContact O-CB 3.32Å; D178-N182 WeakPolarHBondContact O-CB 3.47Å; D178-N182 PolarHBondContact O-N 2.91Å; E179-N182 PolarHBondContact O-N 2.85Å; N182-R185 PolarHBondContact O-N 3.21Å; N182-R186 WeakPolarHBondContact O-CB 3.41Å; N182-R186 WeakPolarHBondContact O-CD 3.48Å; N182-R186 WeakPolarHBondContact O-CG 3.5Å; N182-R186 PolarHBondContact O-N 2.84Å; N182-R186 PolarHBondContact OD1-NE 2.81Å
183	S	85.7	Confident	87.9	Confident	72 Å²	72	79.8 Å²	79.8	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-45.1	171.2	-169.9	0	0	0	0	112.5	E179 L180 E181 R186 L187	E179-S183 WeakPolarHBondContact O-CB 3.42Å; E179-S183 PolarHBondContact O-N 2.93Å; L180-S183 WeakPolarHBondContact O-CB 3.3Å; L180-S183 PolarHBondContact O-N 2.98Å; E181-S183 VanDerWaalsContact C-N 3.27Å; E181-S183 PolarHBondContact O-N 3.25Å; S183-R186 PolarHBondContact O-N 3.11Å; S183-L187 WeakPolarHBondContact O-CB 3.4Å; S183-L187 PolarHBondContact O-N 2.84Å
184	Q	85.6	Confident	87.5	Confident	44 Å²	44	82 Å²	82	21%	0.206	39%	0.39	C	S	.	.	H	α-helix	trans	-63	-45.2	174.6	-71.9	177.4	36.5	0	0	112.3	L180 E181 R186 L187 L188	L180-Q184 WeakPolarHBondContact O-CG 3.32Å; L180-Q184 PolarHBondContact O-N 2.88Å; E181-Q184 PolarHBondContact O-N 3.28Å; Q184-R186 PolarHBondContact O-N 2.91Å; Q184-L187 PolarHBondContact O-N 2.87Å; Q184-L188 PolarHBondContact O-N 3.39Å
185	R	87	Confident	87.1	Confident	138 Å²	138	82 Å²	82	52%	0.521	39%	0.39	S	S	.	.	H	α-helix	trans	-57.3	-45.6	175.5	-74.6	178.8	-111.2	170.3	-9.1	111.7	E181 N182 L188 M189	E181-R185 WeakPolarHBondContact O-CG 3.32Å; E181-R185 PolarHBondContact O-N 2.91Å; E181-R185 IonicContact OE2-CZ 3.99Å; E181-R185 IonicContact OE2-NH2 2.76Å; E181-R185 PolarHBondContact OE2-NH2 3.45Å; N182-R185 PolarHBondContact O-N 3.21Å; R185-L188 PolarHBondContact O-N 3.34Å; R185-M189 PolarHBondContact O-N 3.39Å
186	R	86.4	Confident	86.9	Confident	172 Å²	172	81.9 Å²	81.9	65%	0.649	39%	0.391	S	S	*	.	H	α-helix	trans	-62.6	-42.9	175.4	-70.9	167.2	-170.1	-169.2	0.4	112.3	N182 S183 Q184 L188 M189 L190	N182-R186 WeakPolarHBondContact O-CB 3.41Å; N182-R186 WeakPolarHBondContact O-CD 3.48Å; N182-R186 WeakPolarHBondContact O-CG 3.5Å; N182-R186 PolarHBondContact O-N 2.84Å; N182-R186 PolarHBondContact OD1-NE 2.81Å; S183-R186 PolarHBondContact O-N 3.11Å; Q184-R186 PolarHBondContact O-N 2.91Å; R186-L188 VanDerWaalsContact C-N 3.33Å; R186-L188 PolarHBondContact O-N 3.04Å; R186-M189 PolarHBondContact O-N 2.74Å; R186-L190 WeakPolarHBondContact O-CB 3.43Å; R186-L190 PolarHBondContact O-N 3.36Å
187	L	83.6	Confident	86.8	Confident	39 Å²	39	83.2 Å²	83.2	20%	0.204	39%	0.394	C	S	.	.	H	α-helix	trans	-63.6	-39.3	177.8	-172.6	65.8	0	0	0	111.7	S183 Q184 L190 K191 H258 L261 L262	S183-L187 WeakPolarHBondContact O-CB 3.4Å; S183-L187 PolarHBondContact O-N 2.84Å; Q184-L187 PolarHBondContact O-N 2.87Å; L187-L190 PolarHBondContact O-N 3.49Å; L187-K191 PolarHBondContact O-N 2.96Å; L187-K191 VanDerWaalsContact O-N 3.08Å; L187-H258 PolarHBondContact O-CE1 2.85Å; L187-H258 PolarHBondContact O-NE2 2.98Å; L187-L261 HydrophobicContact CD1-CB 4.49Å; L187-L262 HydrophobicContact CD2-CD1 3.95Å; L187-L262 HydrophobicContact CG-CD1 4.15Å
188	L	84.1	Confident	86.6	Confident	113 Å²	113	83.9 Å²	83.9	59%	0.592	40%	0.397	S	S	*	.	H	α-helix	trans	-68.1	-45.6	176.7	-175.7	62.8	0	0	0	112.4	Q184 R185 R186 L190 K191 L192	Q184-L188 PolarHBondContact O-N 3.39Å; R185-L188 PolarHBondContact O-N 3.34Å; R186-L188 VanDerWaalsContact C-N 3.33Å; R186-L188 PolarHBondContact O-N 3.04Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 3.19Å; L188-K191 HydrophobicContact CD1-CD 4.47Å; L188-K191 WeakPolarHBondContact O-CB 3.45Å; L188-K191 PolarHBondContact O-N 2.94Å; L188-K191 VanDerWaalsContact O-N 3.11Å; L188-L192 PolarHBondContact O-N 2.96Å
189	M	85.8	Confident	86.5	Confident	118 Å²	118	85.2 Å²	85.2	58%	0.581	40%	0.403	S	S	*	.	H	α-helix	trans	-60.2	-39.4	173.8	-73.6	-149.6	78.9	0	0	112.2	R185 R186 K191 L192 Q193	R185-M189 PolarHBondContact O-N 3.39Å; R186-M189 PolarHBondContact O-N 2.74Å; M189-K191 VanDerWaalsContact C-N 3.28Å; M189-K191 PolarHBondContact O-N 3.31Å; M189-L192 PolarHBondContact O-N 2.88Å; M189-Q193 WeakPolarHBondContact O-CG 3.5Å; M189-Q193 PolarHBondContact O-N 2.87Å; M189-Q193 VanDerWaalsContact O-N 3.08Å
190	L	82.3	Confident	86.6	Confident	73 Å²	73	84.3 Å²	84.3	38%	0.382	40%	0.403	S	S	.	.	H	α-helix	trans	-65	-32.3	176.8	-167.9	67.9	0	0	0	112.1	R186 L187 L188 Y194	R186-L190 WeakPolarHBondContact O-CB 3.43Å; R186-L190 PolarHBondContact O-N 3.36Å; L187-L190 PolarHBondContact O-N 3.49Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 3.19Å; L190-Y194 HydrophobicContact CD1-CD2 4.41Å; L190-Y194 HydrophobicContact CD1-CE2 3.93Å; L190-Y194 HydrophobicContact CD2-CE2 4.15Å; L190-Y194 HydrophobicContact CG-CD2 4.02Å; L190-Y194 HydrophobicContact CG-CE2 3.73Å; L190-Y194 WeakPolarHBondContact O-CD2 3.38Å; L190-Y194 PolarHBondContact O-N 2.96Å
191	K	82.4	Confident	86.7	Confident	63 Å²	63	84.3 Å²	84.3	27%	0.274	40%	0.402	S	S	.	.	H	α-helix	trans	-58.6	-54.4	172.2	-168.3	-176.1	166.5	-76.9	0	110.5	L187 L188 M189 Q193 Y194 E195 H258 L262	L187-K191 PolarHBondContact O-N 2.96Å; L187-K191 VanDerWaalsContact O-N 3.08Å; L188-K191 HydrophobicContact CD1-CD 4.47Å; L188-K191 WeakPolarHBondContact O-CB 3.45Å; L188-K191 PolarHBondContact O-N 2.94Å; L188-K191 VanDerWaalsContact O-N 3.11Å; M189-K191 VanDerWaalsContact C-N 3.28Å; M189-K191 PolarHBondContact O-N 3.31Å; K191-Q193 VanDerWaalsContact C-N 3.34Å; K191-Q193 PolarHBondContact O-N 2.94Å; K191-Y194 PolarHBondContact O-N 3.46Å; K191-Y194 VanDerWaalsContact O-N 3.09Å; K191-E195 VanDerWaalsContact CE-OE1 3.28Å; K191-E195 WeakPolarHBondContact CE-OE1 3.5Å; K191-E195 IonicContact NZ-OE1 2.72Å; K191-E195 PolarHBondContact NZ-OE1 2.69Å; K191-E195 IonicContact NZ-OE2 2.68Å; K191-E195 PolarHBondContact NZ-OE2 3.01Å; K191-E195 PolarHBondContact O-N 2.89Å; K191-H258 VanDerWaalsContact CB-CE1 3.41Å; K191-H258 WeakPolarHBondContact CB-CE1 3.23Å; K191-H258 PolarHBondContact N-NE2 3.45Å; K191-L262 HydrophobicContact CD-CD2 4.2Å
192	L	84.7	Confident	86.8	Confident	113 Å²	113	85 Å²	85	59%	0.592	41%	0.405	S	S	*	.	H	α-helix	trans	-58.6	-45.7	-177	-170.5	68.6	0	0	0	111.1	L188 M189 Y194 E195 E196	L188-L192 PolarHBondContact O-N 2.96Å; M189-L192 PolarHBondContact O-N 2.88Å; L192-Y194 VanDerWaalsContact C-N 3.32Å; L192-Y194 PolarHBondContact O-N 3.13Å; L192-E195 PolarHBondContact O-N 3.44Å; L192-E196 WeakPolarHBondContact O-CB 3.37Å; L192-E196 PolarHBondContact O-N 3.12Å
193	Q	85.1	Confident	87.1	Confident	82 Å²	82	84.3 Å²	84.3	38%	0.383	40%	0.402	S	S	.	.	H	α-helix	trans	-63.5	-31.3	177	-70.4	-175.9	7.8	0	0	113.9	M189 K191 K197	M189-Q193 WeakPolarHBondContact O-CG 3.5Å; M189-Q193 PolarHBondContact O-N 2.87Å; M189-Q193 VanDerWaalsContact O-N 3.08Å; K191-Q193 VanDerWaalsContact C-N 3.34Å; K191-Q193 PolarHBondContact O-N 2.94Å; Q193-K197 WeakPolarHBondContact O-CB 3.43Å; Q193-K197 VanDerWaalsContact O-CD 3.26Å; Q193-K197 WeakPolarHBondContact O-CD 3.43Å; Q193-K197 WeakPolarHBondContact O-CG 3.42Å; Q193-K197 PolarHBondContact O-N 3.33Å
194	Y	84.3	Confident	87.5	Confident	77 Å²	77	86.8 Å²	86.8	30%	0.302	40%	0.404	S	S	.	.	H	α-helix	trans	-75.6	-38.8	173.6	-82.9	-59.6	0	0	0	111.9	L190 K191 L192 L198 L251 A254	L190-Y194 HydrophobicContact CD1-CD2 4.41Å; L190-Y194 HydrophobicContact CD1-CE2 3.93Å; L190-Y194 HydrophobicContact CD2-CE2 4.15Å; L190-Y194 HydrophobicContact CG-CD2 4.02Å; L190-Y194 HydrophobicContact CG-CE2 3.73Å; L190-Y194 WeakPolarHBondContact O-CD2 3.38Å; L190-Y194 PolarHBondContact O-N 2.96Å; K191-Y194 PolarHBondContact O-N 3.46Å; K191-Y194 VanDerWaalsContact O-N 3.09Å; L192-Y194 VanDerWaalsContact C-N 3.32Å; L192-Y194 PolarHBondContact O-N 3.13Å; Y194-L198 WeakPolarHBondContact O-CB 3.5Å; Y194-L198 PolarHBondContact O-N 3.39Å; Y194-L251 HydrophobicContact CD1-CD2 4.02Å; Y194-L251 HydrophobicContact CD1-CG 4.34Å; Y194-L251 VanDerWaalsContact O-CD2 3.28Å; Y194-L251 WeakPolarHBondContact O-CD2 3.36Å; Y194-A254 HydrophobicContact CD1-CB 4.38Å; Y194-A254 HydrophobicContact CE1-CB 3.94Å
195	E	85.1	Confident	87.9	Confident	55 Å²	55	85.2 Å²	85.2	26%	0.257	40%	0.397	S	S	.	.	H	α-helix	trans	-68.5	-43	178.7	-71.8	170	156.1	0	0	111.7	K191 L192 L198 I199	K191-E195 VanDerWaalsContact CE-OE1 3.28Å; K191-E195 WeakPolarHBondContact CE-OE1 3.5Å; K191-E195 IonicContact NZ-OE1 2.72Å; K191-E195 PolarHBondContact NZ-OE1 2.69Å; K191-E195 IonicContact NZ-OE2 2.68Å; K191-E195 PolarHBondContact NZ-OE2 3.01Å; K191-E195 PolarHBondContact O-N 2.89Å; L192-E195 PolarHBondContact O-N 3.44Å; E195-L198 WeakPolarHBondContact O-CB 3.35Å; E195-L198 PolarHBondContact O-N 3.42Å; E195-I199 WeakPolarHBondContact O-CG1 3.47Å; E195-I199 PolarHBondContact O-N 3.36Å
196	E	90.1	Very high	88.2	Confident	124 Å²	124	84.5 Å²	84.5	58%	0.579	39%	0.394	S	S	*	.	H	α-helix	trans	-57.8	-51.4	172.2	-174.9	-166.4	-174.3	0	0	111.6	L192 L198 I199 L200	L192-E196 WeakPolarHBondContact O-CB 3.37Å; L192-E196 PolarHBondContact O-N 3.12Å; E196-L198 VanDerWaalsContact C-N 3.26Å; E196-L198 PolarHBondContact O-N 3.31Å; E196-I199 PolarHBondContact O-N 3.3Å; E196-L200 WeakPolarHBondContact O-CB 3.31Å; E196-L200 PolarHBondContact O-N 3.49Å
197	K	90	Very high	88.5	Confident	102 Å²	102	80.5 Å²	80.5	44%	0.443	39%	0.385	S	S	.	.	H	α-helix	trans	-64	-30.5	178.6	-71.7	169.4	-172.4	161.9	0	112.5	Q193 L201 L251	Q193-K197 WeakPolarHBondContact O-CB 3.43Å; Q193-K197 VanDerWaalsContact O-CD 3.26Å; Q193-K197 WeakPolarHBondContact O-CD 3.43Å; Q193-K197 WeakPolarHBondContact O-CG 3.42Å; Q193-K197 PolarHBondContact O-N 3.33Å; K197-L201 VanDerWaalsContact O-CB 3.29Å; K197-L201 WeakPolarHBondContact O-CB 3.49Å; K197-L201 PolarHBondContact O-N 3.01Å; K197-L251 HydrophobicContact CB-CD1 3.87Å
198	L	88.6	Confident	88.9	Confident	15 Å²	15	79.5 Å²	79.5	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-65.2	-49.9	173.6	-170.3	72.8	0	0	0	110.9	Y194 E195 E196 L201 Q202 L248 L251 Q252	Y194-L198 WeakPolarHBondContact O-CB 3.5Å; Y194-L198 PolarHBondContact O-N 3.39Å; E195-L198 WeakPolarHBondContact O-CB 3.35Å; E195-L198 PolarHBondContact O-N 3.42Å; E196-L198 VanDerWaalsContact C-N 3.26Å; E196-L198 PolarHBondContact O-N 3.31Å; L198-L201 PolarHBondContact O-N 3.04Å; L198-Q202 WeakPolarHBondContact O-CB 3.46Å; L198-Q202 VanDerWaalsContact O-CG 3.28Å; L198-Q202 WeakPolarHBondContact O-CG 3.32Å; L198-Q202 PolarHBondContact O-N 3.11Å; L198-L248 HydrophobicContact CD1-CD1 3.64Å; L198-L251 HydrophobicContact CB-CD2 3.88Å; L198-L251 HydrophobicContact CD1-CB 4.41Å; L198-L251 HydrophobicContact CD1-CD2 3.98Å; L198-Q252 HydrophobicContact CD1-CG 3.73Å
199	I	90.4	Very high	89.2	Confident	96 Å²	96	77.7 Å²	77.7	49%	0.492	37%	0.369	S	S	.	.	H	α-helix	trans	-62.1	-46.1	178.9	-66.7	163.2	0	0	0	110.5	E195 E196 L201 Q202 N203	E195-I199 WeakPolarHBondContact O-CG1 3.47Å; E195-I199 PolarHBondContact O-N 3.36Å; E196-I199 PolarHBondContact O-N 3.3Å; I199-L201 VanDerWaalsContact C-N 3.34Å; I199-L201 PolarHBondContact O-N 3.47Å; I199-Q202 PolarHBondContact O-N 2.98Å; I199-N203 WeakPolarHBondContact O-CB 3.47Å; I199-N203 PolarHBondContact O-N 3.23Å
200	L	91.8	Very high	89.5	Confident	119 Å²	119	76.1 Å²	76.1	62%	0.623	36%	0.363	S	S	*	.	H	α-helix	trans	-59.2	-43.2	178.1	-171	72	0	0	0	112	E196 K204	E196-L200 WeakPolarHBondContact O-CB 3.31Å; E196-L200 PolarHBondContact O-N 3.49Å; L200-K204 WeakPolarHBondContact O-CB 3.28Å; L200-K204 PolarHBondContact O-N 2.68Å
201	L	92	Very high	90	Very high	28 Å²	28	77 Å²	77	15%	0.147	37%	0.365	C	S	.	.	H	α-helix	trans	-71.8	-36.7	178.7	-174.4	57	0	0	0	112.4	K197 L198 I199 K204 I205 M244 D247 L248	K197-L201 VanDerWaalsContact O-CB 3.29Å; K197-L201 WeakPolarHBondContact O-CB 3.49Å; K197-L201 PolarHBondContact O-N 3.01Å; L198-L201 PolarHBondContact O-N 3.04Å; I199-L201 VanDerWaalsContact C-N 3.34Å; I199-L201 PolarHBondContact O-N 3.47Å; L201-K204 PolarHBondContact O-N 3.48Å; L201-I205 HydrophobicContact CD1-CD1 4.43Å; L201-I205 HydrophobicContact CG-CD1 4.19Å; L201-I205 WeakPolarHBondContact O-CD1 3.45Å; L201-I205 VanDerWaalsContact O-CG1 3.26Å; L201-I205 WeakPolarHBondContact O-CG1 3.48Å; L201-I205 PolarHBondContact O-N 3.04Å; L201-M244 HydrophobicContact CD1-CB 4.19Å; L201-M244 HydrophobicContact CD1-CG 4.39Å; L201-D247 HydrophobicContact CD2-CB 4.02Å; L201-L248 HydrophobicContact CD2-CB 4.16Å
202	Q	91.3	Very high	90.4	Very high	74 Å²	74	77.4 Å²	77.4	35%	0.346	37%	0.365	S	S	.	.	H	α-helix	trans	-63.5	-44.8	173.2	-74.5	175.4	1.3	0	0	112	L198 I199 I205 R206 L248	L198-Q202 WeakPolarHBondContact O-CB 3.46Å; L198-Q202 VanDerWaalsContact O-CG 3.28Å; L198-Q202 WeakPolarHBondContact O-CG 3.32Å; L198-Q202 PolarHBondContact O-N 3.11Å; I199-Q202 PolarHBondContact O-N 2.98Å; Q202-I205 PolarHBondContact O-N 3.37Å; Q202-R206 PolarHBondContact O-N 3.29Å; Q202-L248 HydrophobicContact CG-CD1 3.66Å
203	N	93.9	Very high	90.6	Very high	54 Å²	54	75.3 Å²	75.3	29%	0.289	36%	0.355	S	S	.	.	H	α-helix	trans	-59.4	-51.6	173.6	-71.7	-19.5	0	0	0	110.3	I199 I205 R206 D207	I199-N203 WeakPolarHBondContact O-CB 3.47Å; I199-N203 PolarHBondContact O-N 3.23Å; N203-I205 VanDerWaalsContact C-N 3.28Å; N203-I205 PolarHBondContact O-N 3.32Å; N203-R206 CarbonylContact O-C 3.6Å; N203-R206 WeakPolarHBondContact O-CA 3.43Å; N203-R206 VanDerWaalsContact O-CB 3.29Å; N203-R206 WeakPolarHBondContact O-CB 3.41Å; N203-R206 PolarHBondContact O-N 3.3Å; N203-R206 VanDerWaalsContact OD1-CZ 3.24Å; N203-R206 PolarHBondContact OD1-NH1 2.86Å; N203-R206 PolarHBondContact OD1-NH2 3.02Å; N203-D207 PolarHBondContact O-N 3.31Å; N203-D207 VanDerWaalsContact O-OD2 3.13Å
204	K	93.9	Very high	90.9	Very high	124 Å²	124	79.3 Å²	79.3	54%	0.539	37%	0.366	S	S	.	.	H	α-helix	trans	-57.9	-36.2	179	-170.2	173.8	-176.6	175	0	113.7	L200 L201 T208 M244	L200-K204 WeakPolarHBondContact O-CB 3.28Å; L200-K204 PolarHBondContact O-N 2.68Å; L201-K204 PolarHBondContact O-N 3.48Å; K204-T208 WeakPolarHBondContact O-CB 3.26Å; K204-T208 PolarHBondContact O-N 3.18Å; K204-T208 PolarHBondContact O-OG1 3.08Å; K204-M244 HydrophobicContact CD-SD 4.19Å; K204-M244 HydrophobicContact CG-SD 4.04Å
205	I	92.3	Very high	91.1	Very high	11 Å²	11	78 Å²	78	6%	0.056	37%	0.366	C	S	.	.	H	α-helix	trans	-65.3	-45.6	173.2	-72.5	164.3	0	0	0	110.8	L201 Q202 N203 T208 Q209 L241 M244 L248	L201-I205 HydrophobicContact CD1-CD1 4.43Å; L201-I205 HydrophobicContact CG-CD1 4.19Å; L201-I205 WeakPolarHBondContact O-CD1 3.45Å; L201-I205 VanDerWaalsContact O-CG1 3.26Å; L201-I205 WeakPolarHBondContact O-CG1 3.48Å; L201-I205 PolarHBondContact O-N 3.04Å; Q202-I205 PolarHBondContact O-N 3.37Å; N203-I205 VanDerWaalsContact C-N 3.28Å; N203-I205 PolarHBondContact O-N 3.32Å; I205-T208 PolarHBondContact O-N 2.83Å; I205-Q209 VanDerWaalsContact O-CG 3.31Å; I205-Q209 WeakPolarHBondContact O-CG 3.49Å; I205-Q209 PolarHBondContact O-N 3.04Å; I205-L241 HydrophobicContact CG2-CD2 4.16Å; I205-M244 HydrophobicContact CD1-CB 4Å; I205-M244 HydrophobicContact CG1-CB 3.65Å; I205-M244 HydrophobicContact CG1-CE 4.26Å; I205-M244 HydrophobicContact CG1-SD 4.43Å; I205-L248 HydrophobicContact CD1-CB 4.06Å; I205-L248 HydrophobicContact CD1-CD2 3.94Å; I205-L248 HydrophobicContact CD1-CG 4.47Å
206	R	94.8	Very high	91.1	Very high	122 Å²	122	76.4 Å²	76.4	46%	0.46	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-47	176	-166.1	-164	-53.5	118.8	6.2	111.3	Q202 N203 T208 Q209 L210	Q202-R206 PolarHBondContact O-N 3.29Å; N203-R206 CarbonylContact O-C 3.6Å; N203-R206 WeakPolarHBondContact O-CA 3.43Å; N203-R206 VanDerWaalsContact O-CB 3.29Å; N203-R206 WeakPolarHBondContact O-CB 3.41Å; N203-R206 PolarHBondContact O-N 3.3Å; N203-R206 VanDerWaalsContact OD1-CZ 3.24Å; N203-R206 PolarHBondContact OD1-NH1 2.86Å; N203-R206 PolarHBondContact OD1-NH2 3.02Å; R206-T208 VanDerWaalsContact C-N 3.34Å; R206-T208 PolarHBondContact O-N 3.15Å; R206-Q209 WeakPolarHBondContact O-CB 3.44Å; R206-Q209 PolarHBondContact O-N 3.05Å; R206-Q209 VanDerWaalsContact O-N 3.16Å; R206-L210 HydrophobicContact CG-CD1 4.44Å; R206-L210 WeakPolarHBondContact O-CG 3.37Å; R206-L210 PolarHBondContact O-N 3.03Å
207	D	93.1	Very high	90.8	Very high	88 Å²	88	77 Å²	77	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-64.9	-39.7	-178.7	-58.2	-30.1	0	0	0	111.3	N203 Q209 L210 E211	N203-D207 PolarHBondContact O-N 3.31Å; N203-D207 VanDerWaalsContact O-OD2 3.13Å; D207-Q209 VanDerWaalsContact C-N 3.33Å; D207-Q209 PolarHBondContact O-N 2.82Å; D207-L210 PolarHBondContact O-N 3.08Å; D207-E211 WeakPolarHBondContact O-CB 3.09Å; D207-E211 PolarHBondContact O-N 3.04Å
208	T	91.7	Very high	90.5	Very high	18 Å²	18	77 Å²	77	11%	0.11	37%	0.367	C	S	.	.	H	α-helix	trans	-69.9	-28.1	175.8	-52.9	0	0	0	0	112.5	K204 I205 R206 R212 Y237 L241 M244	K204-T208 WeakPolarHBondContact O-CB 3.26Å; K204-T208 PolarHBondContact O-N 3.18Å; K204-T208 PolarHBondContact O-OG1 3.08Å; I205-T208 PolarHBondContact O-N 2.83Å; R206-T208 VanDerWaalsContact C-N 3.34Å; R206-T208 PolarHBondContact O-N 3.15Å; T208-R212 VanDerWaalsContact O-CB 3.31Å; T208-R212 WeakPolarHBondContact O-CB 3.35Å; T208-R212 PolarHBondContact O-N 2.87Å; T208-Y237 HydrophobicContact CG2-CD1 3.91Å; T208-Y237 HydrophobicContact CG2-CE1 4.26Å; T208-L241 HydrophobicContact CG2-CD2 4.09Å; T208-L241 HydrophobicContact CG2-CG 4.31Å; T208-M244 HydrophobicContact CG2-CE 3.85Å
209	Q	90.3	Very high	90.2	Very high	75 Å²	75	77.9 Å²	77.9	35%	0.35	37%	0.371	S	S	.	.	H	α-helix	trans	-69.1	-46.4	170.2	-72.1	166.5	-10.5	0	0	110.8	I205 R206 D207 E211 R212 D213 L241	I205-Q209 VanDerWaalsContact O-CG 3.31Å; I205-Q209 WeakPolarHBondContact O-CG 3.49Å; I205-Q209 PolarHBondContact O-N 3.04Å; R206-Q209 WeakPolarHBondContact O-CB 3.44Å; R206-Q209 PolarHBondContact O-N 3.05Å; R206-Q209 VanDerWaalsContact O-N 3.16Å; D207-Q209 VanDerWaalsContact C-N 3.33Å; D207-Q209 PolarHBondContact O-N 2.82Å; Q209-E211 PolarHBondContact O-N 2.79Å; Q209-R212 WeakPolarHBondContact O-CB 3.47Å; Q209-R212 PolarHBondContact O-N 2.87Å; Q209-D213 WeakPolarHBondContact O-CB 3.35Å; Q209-D213 VanDerWaalsContact O-CG 3.23Å; Q209-D213 PolarHBondContact O-N 3.03Å; Q209-L241 HydrophobicContact CG-CD1 3.9Å; Q209-L241 HydrophobicContact CG-CD2 3.74Å
210	L	92.4	Very high	89.4	Confident	86 Å²	86	79.8 Å²	79.8	45%	0.45	38%	0.38	S	S	.	.	H	α-helix	trans	-64.2	-37.9	176.6	-66.9	171	0	0	0	112.3	R206 D207 D213 R214	R206-L210 HydrophobicContact CG-CD1 4.44Å; R206-L210 WeakPolarHBondContact O-CG 3.37Å; R206-L210 PolarHBondContact O-N 3.03Å; D207-L210 PolarHBondContact O-N 3.08Å; L210-D213 PolarHBondContact O-N 3.17Å; L210-R214 WeakPolarHBondContact O-CB 3.3Å; L210-R214 VanDerWaalsContact O-CG 3.23Å; L210-R214 WeakPolarHBondContact O-CG 3.38Å; L210-R214 PolarHBondContact O-N 3.38Å
211	E	92	Very high	88.5	Confident	92 Å²	92	78.7 Å²	78.7	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-50.4	173.8	-173.9	-176.4	-148.2	0	0	111.2	D207 Q209 D213 R214 V215 Y237	D207-E211 WeakPolarHBondContact O-CB 3.09Å; D207-E211 PolarHBondContact O-N 3.04Å; Q209-E211 PolarHBondContact O-N 2.79Å; E211-D213 VanDerWaalsContact C-N 3.27Å; E211-D213 PolarHBondContact O-N 3.02Å; E211-R214 PolarHBondContact O-N 2.8Å; E211-V215 HydrophobicContact CG-CG2 4.29Å; E211-V215 WeakPolarHBondContact O-CB 3.21Å; E211-V215 VanDerWaalsContact O-CG2 3.26Å; E211-V215 WeakPolarHBondContact O-CG2 3.39Å; E211-V215 PolarHBondContact O-N 2.81Å; E211-Y237 HydrophobicContact CB-CE1 4.47Å; E211-Y237 HydrophobicContact CG-CE1 4.19Å
212	R	91.1	Very high	87.4	Confident	70 Å²	70	82.5 Å²	82.5	26%	0.264	40%	0.4	S	S	.	.	H	α-helix	trans	-49.9	-50.2	173.6	176.6	-162.3	71.4	-178.9	-4.1	110.9	T208 Q209 V215 L216 Y237	T208-R212 VanDerWaalsContact O-CB 3.31Å; T208-R212 WeakPolarHBondContact O-CB 3.35Å; T208-R212 PolarHBondContact O-N 2.87Å; Q209-R212 WeakPolarHBondContact O-CB 3.47Å; Q209-R212 PolarHBondContact O-N 2.87Å; R212-V215 PolarHBondContact O-N 3.05Å; R212-L216 HydrophobicContact CG-CD1 3.81Å; R212-L216 WeakPolarHBondContact O-CB 3.4Å; R212-L216 VanDerWaalsContact O-CG 3.23Å; R212-L216 WeakPolarHBondContact O-CG 3.41Å; R212-L216 PolarHBondContact O-N 3.24Å; R212-Y237 HydrophobicContact CB-CD1 3.75Å; R212-Y237 HydrophobicContact CB-CD2 4.21Å; R212-Y237 HydrophobicContact CB-CE1 4.33Å; R212-Y237 HydrophobicContact CB-CG 3.69Å; R212-Y237 HydrophobicContact CG-CD1 4.4Å; R212-Y237 HydrophobicContact CG-CD2 4.18Å; R212-Y237 HydrophobicContact CG-CG 3.83Å
213	D	89.4	Confident	85.8	Confident	70 Å²	70	88.5 Å²	88.5	37%	0.374	43%	0.428	S	S	.	.	H	α-helix	trans	-71.3	-40.4	-172.4	-66	-19.8	0	0	0	111.6	Q209 L210 E211 L216 Q217	Q209-D213 WeakPolarHBondContact O-CB 3.35Å; Q209-D213 VanDerWaalsContact O-CG 3.23Å; Q209-D213 PolarHBondContact O-N 3.03Å; L210-D213 PolarHBondContact O-N 3.17Å; E211-D213 VanDerWaalsContact C-N 3.27Å; E211-D213 PolarHBondContact O-N 3.02Å; D213-L216 PolarHBondContact O-N 3.14Å; D213-Q217 VanDerWaalsContact O-CB 3.27Å; D213-Q217 WeakPolarHBondContact O-CB 3.4Å; D213-Q217 PolarHBondContact O-N 2.84Å
214	R	91.3	Very high	84.2	Confident	166 Å²	166	92 Å²	92	63%	0.626	45%	0.447	S	S	*	.	H	α-helix	trans	-60.2	-45.8	170	-74	170.7	178.3	177	0.7	112.5	L210 E211 L216 Q217 N218	L210-R214 WeakPolarHBondContact O-CB 3.3Å; L210-R214 VanDerWaalsContact O-CG 3.23Å; L210-R214 WeakPolarHBondContact O-CG 3.38Å; L210-R214 PolarHBondContact O-N 3.38Å; E211-R214 PolarHBondContact O-N 2.8Å; R214-L216 VanDerWaalsContact C-N 3.35Å; R214-L216 PolarHBondContact O-N 3.4Å; R214-Q217 PolarHBondContact O-N 2.68Å; R214-N218 WeakPolarHBondContact O-CB 3.23Å; R214-N218 PolarHBondContact O-N 3.33Å; R214-N218 PolarHBondContact O-ND2 2.93Å
215	V	87.3	Confident	83.1	Confident	49 Å²	49	90.5 Å²	90.5	30%	0.297	44%	0.439	S	S	.	.	H	α-helix	trans	-64.2	-40.9	-179	167.9	0	0	0	0	111	E211 R212 L219 I233 Y237	E211-V215 HydrophobicContact CG-CG2 4.29Å; E211-V215 WeakPolarHBondContact O-CB 3.21Å; E211-V215 VanDerWaalsContact O-CG2 3.26Å; E211-V215 WeakPolarHBondContact O-CG2 3.39Å; E211-V215 PolarHBondContact O-N 2.81Å; R212-V215 PolarHBondContact O-N 3.05Å; V215-L219 WeakPolarHBondContact O-CB 3.47Å; V215-L219 PolarHBondContact O-N 3.16Å; V215-I233 HydrophobicContact CG1-CG2 4.05Å; V215-Y237 HydrophobicContact CG1-CE2 4.35Å
216	L	84.9	Confident	82.3	Confident	21 Å²	21	92.8 Å²	92.8	11%	0.11	45%	0.453	C	S	.	.	H	α-helix	trans	-69.8	-40	176.7	-67	170.2	0	0	0	112.4	R212 D213 R214 L219 M220 I233 R234	R212-L216 HydrophobicContact CG-CD1 3.81Å; R212-L216 WeakPolarHBondContact O-CB 3.4Å; R212-L216 VanDerWaalsContact O-CG 3.23Å; R212-L216 WeakPolarHBondContact O-CG 3.41Å; R212-L216 PolarHBondContact O-N 3.24Å; D213-L216 PolarHBondContact O-N 3.14Å; R214-L216 VanDerWaalsContact C-N 3.35Å; R214-L216 PolarHBondContact O-N 3.4Å; L216-L219 PolarHBondContact O-N 2.72Å; L216-M220 WeakPolarHBondContact O-CG 3.43Å; L216-M220 PolarHBondContact O-N 3.09Å; L216-I233 HydrophobicContact CD2-CB 4.37Å; L216-I233 HydrophobicContact CD2-CG2 3.95Å; L216-R234 HydrophobicContact CD1-CG 3.48Å; L216-R234 VanDerWaalsContact CD1-CG 3.48Å; L216-R234 HydrophobicContact CD2-CG 3.71Å; L216-R234 HydrophobicContact CG-CG 4.25Å
217	Q	84.6	Confident	81.4	Confident	138 Å²	138	93.4 Å²	93.4	65%	0.645	46%	0.461	S	S	*	.	H	α-helix	trans	-62.7	-44.5	175.2	-171	173.1	13.2	0	0	111.5	D213 R214 L219 M220 S221	D213-Q217 VanDerWaalsContact O-CB 3.27Å; D213-Q217 WeakPolarHBondContact O-CB 3.4Å; D213-Q217 PolarHBondContact O-N 2.84Å; R214-Q217 PolarHBondContact O-N 2.68Å; Q217-L219 PolarHBondContact O-N 2.59Å; Q217-M220 PolarHBondContact O-N 2.72Å; Q217-S221 PolarHBondContact O-N 3.25Å
218	N	84.7	Confident	80.8	Confident	102 Å²	102	95.2 Å²	95.2	55%	0.545	47%	0.467	S	S	.	.	H	α-helix	trans	-63.1	-40.8	174.4	-70.4	-11.9	0	0	0	111.9	R214 M220 S221 M222	R214-N218 WeakPolarHBondContact O-CB 3.23Å; R214-N218 PolarHBondContact O-N 3.33Å; R214-N218 PolarHBondContact O-ND2 2.93Å; N218-M220 VanDerWaalsContact C-N 3.27Å; N218-M220 PolarHBondContact O-N 3.26Å; N218-S221 PolarHBondContact O-N 2.75Å; N218-S221 PolarHBondContact O-OG 3.26Å; N218-M222 PolarHBondContact O-N 3.41Å
219	L	81.8	Confident	80.3	Confident	33 Å²	33	99.7 Å²	99.7	17%	0.173	49%	0.485	C	S	.	.	H	α-helix	trans	-63.6	-32.3	177.4	-161.7	80	0	0	0	112.4	V215 L216 Q217 S221 M222 A230 I233	V215-L219 WeakPolarHBondContact O-CB 3.47Å; V215-L219 PolarHBondContact O-N 3.16Å; L216-L219 PolarHBondContact O-N 2.72Å; Q217-L219 PolarHBondContact O-N 2.59Å; L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 2.73Å; L219-M222 PolarHBondContact O-N 3.42Å; L219-A230 HydrophobicContact CD2-CB 3.83Å; L219-I233 HydrophobicContact CD1-CD1 4.26Å; L219-I233 HydrophobicContact CD2-CD1 3.87Å
220	M	72.3	Confident	79.9	Confident	136 Å²	136	96.2 Å²	96.2	67%	0.67	47%	0.469	S	S	*	.	H	α-helix	trans	-72.7	-16.6	173.8	-72	175.5	62.2	0	0	113.6	L216 Q217 N218 Y225	L216-M220 WeakPolarHBondContact O-CG 3.43Å; L216-M220 PolarHBondContact O-N 3.09Å; Q217-M220 PolarHBondContact O-N 2.72Å; N218-M220 VanDerWaalsContact C-N 3.27Å; N218-M220 PolarHBondContact O-N 3.26Å; M220-Y225 HydrophobicContact CG-CE2 4.18Å
221	S	72.9	Confident	79.5	Confident	95 Å²	95	95 Å²	95	66%	0.664	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	0.6	175.4	67.8	0	0	0	0	114.4	Q217 N218 L219	Q217-S221 PolarHBondContact O-N 3.25Å; N218-S221 PolarHBondContact O-N 2.75Å; N218-S221 PolarHBondContact O-OG 3.26Å; L219-S221 VanDerWaalsContact C-N 3.27Å; L219-S221 PolarHBondContact O-N 2.73Å
222	M	69	Low	79.3	Confident	109 Å²	109	96.3 Å²	96.3	54%	0.537	47%	0.472	S	S	.	.	S	Bend	trans	-94.9	132.3	178.3	-73.2	-174.2	70.4	0	0	112.5	N218 L219 N224 Y225	N218-M222 PolarHBondContact O-N 3.41Å; L219-M222 PolarHBondContact O-N 3.42Å; M222-N224 PolarHBondContact O-N 2.76Å; M222-Y225 PolarHBondContact O-N 3.26Å; M222-Y225 VanDerWaalsContact O-N 3.15Å
223	E	59.3	Low	79.1	Confident	200 Å²	200	95.2 Å²	95.2	94%	0.935	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.8	179	-59.4	176.8	139.4	0	0	114.2
224	N	60.6	Low	78.9	Confident	126 Å²	126	96.4 Å²	96.4	67%	0.674	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	30.3	178.9	-75.1	-67.2	0	0	0	113.7	M222	M222-N224 PolarHBondContact O-N 2.76Å
225	Y	69.4	Low	78.9	Confident	94 Å²	94	95 Å²	95	37%	0.369	47%	0.47	S	S	.	.			trans	-59.2	132.7	176.6	176.5	-93.4	0	0	0	112.1	M220 M222 E227 A230	M220-Y225 HydrophobicContact CG-CE2 4.18Å; M222-Y225 PolarHBondContact O-N 3.26Å; M222-Y225 VanDerWaalsContact O-N 3.15Å; Y225-E227 HydrophobicContact CE1-CB 4.16Å; Y225-A230 HydrophobicContact CE2-CB 3.95Å
226	T	75.7	Confident	79	Confident	59 Å²	59	97.4 Å²	97.4	36%	0.362	48%	0.479	S	S	.	.			trans	-135.5	137.3	160.4	71.7	0	0	0	0	110.2	E228 K229 A230	T226-E228 VanDerWaalsContact C-N 3.27Å; T226-E228 PolarHBondContact O-N 3.04Å; T226-K229 WeakPolarHBondContact O-CB 3.28Å; T226-K229 PolarHBondContact O-N 3.42Å; T226-K229 WeakPolarHBondContact OG1-CD 3.34Å; T226-K229 VanDerWaalsContact OG1-CG 3.3Å; T226-K229 WeakPolarHBondContact OG1-CG 3.42Å; T226-A230 PolarHBondContact O-N 3.34Å
227	E	76.1	Confident	79.4	Confident	134 Å²	134	97.7 Å²	97.7	63%	0.626	48%	0.478	S	S	*	.	H	α-helix	trans	-65.7	-30.1	-171.6	-174.4	159	-149.7	0	0	113	Y225 K229 A230 S231	Y225-E227 HydrophobicContact CE1-CB 4.16Å; E227-K229 PolarHBondContact O-N 3.25Å; E227-A230 PolarHBondContact O-N 3.11Å; E227-S231 VanDerWaalsContact O-CB 3.26Å; E227-S231 WeakPolarHBondContact O-CB 3.43Å; E227-S231 PolarHBondContact O-N 2.98Å
228	E	80.5	Confident	79.7	Confident	127 Å²	127	95.4 Å²	95.4	59%	0.593	47%	0.468	S	S	*	.	H	α-helix	trans	-58.6	-41.8	169.4	-80.8	-153.9	91.3	0	0	113.5	T226 S231 K232	T226-E228 VanDerWaalsContact C-N 3.27Å; T226-E228 PolarHBondContact O-N 3.04Å; E228-S231 PolarHBondContact O-N 2.77Å; E228-K232 WeakPolarHBondContact O-CB 3.25Å; E228-K232 WeakPolarHBondContact O-CD 3.45Å; E228-K232 WeakPolarHBondContact O-CG 3.43Å; E228-K232 PolarHBondContact O-N 3.39Å; E228-K232 IonicContact OE1-NZ 2.77Å; E228-K232 PolarHBondContact OE1-NZ 2.95Å; E228-K232 IonicContact OE2-NZ 3.93Å
229	K	80.6	Confident	80	Confident	111 Å²	111	97.5 Å²	97.5	48%	0.483	47%	0.472	S	S	.	.	H	α-helix	trans	-66.9	-44.6	178.7	-70.1	170.7	-170.4	168.5	0	109.9	T226 E227 S231 K232 I233	T226-K229 WeakPolarHBondContact O-CB 3.28Å; T226-K229 PolarHBondContact O-N 3.42Å; T226-K229 WeakPolarHBondContact OG1-CD 3.34Å; T226-K229 VanDerWaalsContact OG1-CG 3.3Å; T226-K229 WeakPolarHBondContact OG1-CG 3.42Å; E227-K229 PolarHBondContact O-N 3.25Å; K229-S231 VanDerWaalsContact C-N 3.3Å; K229-S231 PolarHBondContact O-N 2.85Å; K229-K232 PolarHBondContact O-N 3.34Å; K229-I233 WeakPolarHBondContact O-CB 3.21Å; K229-I233 VanDerWaalsContact O-CG1 3.32Å; K229-I233 WeakPolarHBondContact O-CG1 3.4Å; K229-I233 PolarHBondContact O-N 2.92Å
230	A	82.6	Confident	80.5	Confident	2 Å²	2	101.3 Å²	101.3	2%	0.017	48%	0.484	C	S	.	.	H	α-helix	trans	-59.9	-40.6	174.6	0	0	0	0	0	112	L219 Y225 T226 E227 R234	L219-A230 HydrophobicContact CD2-CB 3.83Å; Y225-A230 HydrophobicContact CE2-CB 3.95Å; T226-A230 PolarHBondContact O-N 3.34Å; E227-A230 PolarHBondContact O-N 3.11Å; A230-R234 WeakPolarHBondContact O-CB 3.5Å; A230-R234 WeakPolarHBondContact O-CG 3.46Å; A230-R234 PolarHBondContact O-N 2.84Å; A230-R234 PolarHBondContact O-NE 2.93Å
231	S	84.3	Confident	81.4	Confident	60 Å²	60	95.4 Å²	95.4	42%	0.42	46%	0.455	S	S	.	.	H	α-helix	trans	-63.8	-48.9	175.3	-167.6	0	0	0	0	112.8	E227 E228 K229 I233 R234 Q235	E227-S231 VanDerWaalsContact O-CB 3.26Å; E227-S231 WeakPolarHBondContact O-CB 3.43Å; E227-S231 PolarHBondContact O-N 2.98Å; E228-S231 PolarHBondContact O-N 2.77Å; K229-S231 VanDerWaalsContact C-N 3.3Å; K229-S231 PolarHBondContact O-N 2.85Å; S231-I233 PolarHBondContact O-N 2.92Å; S231-R234 WeakPolarHBondContact O-CB 3.49Å; S231-R234 PolarHBondContact O-N 3.37Å; S231-Q235 WeakPolarHBondContact O-CB 3.4Å; S231-Q235 PolarHBondContact O-N 3.2Å
232	K	86.8	Confident	82.3	Confident	121 Å²	121	96.3 Å²	96.3	53%	0.526	45%	0.447	S	S	.	.	H	α-helix	trans	-60.7	-44	177	-75.4	159.7	175.2	153.2	0	112	E228 K229 Q235 E236	E228-K232 WeakPolarHBondContact O-CB 3.25Å; E228-K232 WeakPolarHBondContact O-CD 3.45Å; E228-K232 WeakPolarHBondContact O-CG 3.43Å; E228-K232 PolarHBondContact O-N 3.39Å; E228-K232 IonicContact OE1-NZ 2.77Å; E228-K232 PolarHBondContact OE1-NZ 2.95Å; E228-K232 IonicContact OE2-NZ 3.93Å; K229-K232 PolarHBondContact O-N 3.34Å; K232-Q235 PolarHBondContact O-N 3.07Å; K232-E236 PolarHBondContact O-N 2.91Å
233	I	86.9	Confident	83.3	Confident	47 Å²	47	96.7 Å²	96.7	24%	0.241	45%	0.447	C	S	.	.	H	α-helix	trans	-65.3	-45.6	176.4	-67.9	164.6	0	0	0	111.3	V215 L216 L219 K229 S231 Q235 E236 Y237	V215-I233 HydrophobicContact CG1-CG2 4.05Å; L216-I233 HydrophobicContact CD2-CB 4.37Å; L216-I233 HydrophobicContact CD2-CG2 3.95Å; L219-I233 HydrophobicContact CD1-CD1 4.26Å; L219-I233 HydrophobicContact CD2-CD1 3.87Å; K229-I233 WeakPolarHBondContact O-CB 3.21Å; K229-I233 VanDerWaalsContact O-CG1 3.32Å; K229-I233 WeakPolarHBondContact O-CG1 3.4Å; K229-I233 PolarHBondContact O-N 2.92Å; S231-I233 PolarHBondContact O-N 2.92Å; I233-Q235 VanDerWaalsContact C-N 3.32Å; I233-Q235 PolarHBondContact O-N 3.49Å; I233-E236 PolarHBondContact O-N 3.21Å; I233-Y237 HydrophobicContact CG2-CD2 3.87Å; I233-Y237 HydrophobicContact CG2-CE2 3.93Å; I233-Y237 WeakPolarHBondContact O-CD2 3.39Å; I233-Y237 PolarHBondContact O-N 3.43Å; I233-Y237 VanDerWaalsContact O-N 3.12Å
234	R	86.6	Confident	84.9	Confident	95 Å²	95	88.4 Å²	88.4	36%	0.358	41%	0.409	S	S	.	.	H	α-helix	trans	-52.9	-50.4	172.6	-83.7	-178.1	-75.2	-120	8.6	111.1	L216 A230 S231 E236 Y237 E238	L216-R234 HydrophobicContact CD1-CG 3.48Å; L216-R234 VanDerWaalsContact CD1-CG 3.48Å; L216-R234 HydrophobicContact CD2-CG 3.71Å; L216-R234 HydrophobicContact CG-CG 4.25Å; A230-R234 WeakPolarHBondContact O-CB 3.5Å; A230-R234 WeakPolarHBondContact O-CG 3.46Å; A230-R234 PolarHBondContact O-N 2.84Å; A230-R234 PolarHBondContact O-NE 2.93Å; S231-R234 WeakPolarHBondContact O-CB 3.49Å; S231-R234 PolarHBondContact O-N 3.37Å; R234-E236 VanDerWaalsContact C-N 3.34Å; R234-E236 PolarHBondContact O-N 3.01Å; R234-Y237 PolarHBondContact O-N 3.3Å; R234-E238 VanDerWaalsContact O-CB 3.26Å; R234-E238 WeakPolarHBondContact O-CB 3.2Å; R234-E238 PolarHBondContact O-N 2.79Å
235	Q	90	Very high	86.3	Confident	135 Å²	135	85.3 Å²	85.3	63%	0.631	39%	0.393	S	S	*	.	H	α-helix	trans	-66.1	-33.1	-175.8	-167.5	172.5	78.5	0	0	112.9	S231 K232 I233 K239	S231-Q235 WeakPolarHBondContact O-CB 3.4Å; S231-Q235 PolarHBondContact O-N 3.2Å; K232-Q235 PolarHBondContact O-N 3.07Å; I233-Q235 VanDerWaalsContact C-N 3.32Å; I233-Q235 PolarHBondContact O-N 3.49Å; Q235-K239 WeakPolarHBondContact O-CB 3.32Å; Q235-K239 PolarHBondContact O-N 3.27Å
236	E	90.4	Very high	87.4	Confident	101 Å²	101	89.5 Å²	89.5	47%	0.472	41%	0.408	S	S	.	.	H	α-helix	trans	-70.9	-49.2	174.8	-165.8	-175.8	164	0	0	112.5	K232 I233 R234 E238 K239 R240	K232-E236 PolarHBondContact O-N 2.91Å; I233-E236 PolarHBondContact O-N 3.21Å; R234-E236 VanDerWaalsContact C-N 3.34Å; R234-E236 PolarHBondContact O-N 3.01Å; E236-E238 VanDerWaalsContact C-N 3.28Å; E236-E238 PolarHBondContact O-N 2.93Å; E236-K239 WeakPolarHBondContact O-CB 3.5Å; E236-K239 PolarHBondContact O-N 3.08Å; E236-K239 VanDerWaalsContact O-N 3.13Å; E236-R240 WeakPolarHBondContact O-CG 3.17Å; E236-R240 PolarHBondContact O-N 3.3Å; E236-R240 IonicContact OE1-CZ 2.93Å; E236-R240 IonicContact OE1-NE 2.7Å; E236-R240 PolarHBondContact OE1-NE 2.9Å; E236-R240 IonicContact OE1-NH2 3.98Å; E236-R240 PolarHBondContact OE1-NH2 3.14Å
237	Y	92.2	Very high	88.1	Confident	26 Å²	26	89.6 Å²	89.6	10%	0.102	41%	0.406	C	S	.	.	H	α-helix	trans	-61.2	-38.7	174.8	-83.7	-78.2	0	0	0	111.6	T208 E211 R212 V215 I233 R234 K239 R240 L241	T208-Y237 HydrophobicContact CG2-CD1 3.91Å; T208-Y237 HydrophobicContact CG2-CE1 4.26Å; E211-Y237 HydrophobicContact CB-CE1 4.47Å; E211-Y237 HydrophobicContact CG-CE1 4.19Å; R212-Y237 HydrophobicContact CB-CD1 3.75Å; R212-Y237 HydrophobicContact CB-CD2 4.21Å; R212-Y237 HydrophobicContact CB-CE1 4.33Å; R212-Y237 HydrophobicContact CB-CG 3.69Å; R212-Y237 HydrophobicContact CG-CD1 4.4Å; R212-Y237 HydrophobicContact CG-CD2 4.18Å; R212-Y237 HydrophobicContact CG-CG 3.83Å; V215-Y237 HydrophobicContact CG1-CE2 4.35Å; I233-Y237 HydrophobicContact CG2-CD2 3.87Å; I233-Y237 HydrophobicContact CG2-CE2 3.93Å; I233-Y237 WeakPolarHBondContact O-CD2 3.39Å; I233-Y237 PolarHBondContact O-N 3.43Å; I233-Y237 VanDerWaalsContact O-N 3.12Å; R234-Y237 PolarHBondContact O-N 3.3Å; Y237-K239 VanDerWaalsContact C-N 3.32Å; Y237-K239 PolarHBondContact O-N 3.01Å; Y237-R240 PolarHBondContact O-N 3.47Å; Y237-L241 WeakPolarHBondContact O-CB 3.49Å; Y237-L241 VanDerWaalsContact O-CG 3.27Å; Y237-L241 WeakPolarHBondContact O-CG 3.25Å; Y237-L241 PolarHBondContact O-N 3.07Å
238	E	90.3	Very high	88.8	Confident	90 Å²	90	84.3 Å²	84.3	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-65.1	-35	175.5	-158.4	-166.4	161.5	0	0	112.1	R234 E236 K242	R234-E238 VanDerWaalsContact O-CB 3.26Å; R234-E238 WeakPolarHBondContact O-CB 3.2Å; R234-E238 PolarHBondContact O-N 2.79Å; E236-E238 VanDerWaalsContact C-N 3.28Å; E236-E238 PolarHBondContact O-N 2.93Å; E238-K242 HydrophobicContact CG-CD 4.42Å; E238-K242 WeakPolarHBondContact O-CB 3.05Å; E238-K242 WeakPolarHBondContact O-CD 3.35Å; E238-K242 WeakPolarHBondContact O-CG 3.5Å; E238-K242 PolarHBondContact O-N 3.49Å; E238-K242 WeakPolarHBondContact OE1-CE 3.3Å; E238-K242 IonicContact OE1-NZ 3.73Å; E238-K242 PolarHBondContact OE1-NZ 3.33Å; E238-K242 IonicContact OE2-NZ 3.67Å
239	K	92.5	Very high	89.2	Confident	147 Å²	147	83.6 Å²	83.6	64%	0.639	38%	0.382	S	S	*	.	H	α-helix	trans	-64.1	-50.6	171.4	-176.7	-174.7	173.9	-170.8	0	111.3	Q235 E236 Y237 L241 K242 E243	Q235-K239 WeakPolarHBondContact O-CB 3.32Å; Q235-K239 PolarHBondContact O-N 3.27Å; E236-K239 WeakPolarHBondContact O-CB 3.5Å; E236-K239 PolarHBondContact O-N 3.08Å; E236-K239 VanDerWaalsContact O-N 3.13Å; Y237-K239 VanDerWaalsContact C-N 3.32Å; Y237-K239 PolarHBondContact O-N 3.01Å; K239-L241 VanDerWaalsContact C-N 3.31Å; K239-L241 PolarHBondContact O-N 2.93Å; K239-K242 PolarHBondContact O-N 3.29Å; K239-E243 PolarHBondContact O-N 2.86Å
240	R	90.9	Very high	89.6	Confident	113 Å²	113	84.7 Å²	84.7	43%	0.426	39%	0.386	S	S	.	.	H	α-helix	trans	-58.7	-41.5	177.4	-65.6	178	-172.7	-169.6	2.4	111.6	E236 Y237 E243 M244	E236-R240 WeakPolarHBondContact O-CG 3.17Å; E236-R240 PolarHBondContact O-N 3.3Å; E236-R240 IonicContact OE1-CZ 2.93Å; E236-R240 IonicContact OE1-NE 2.7Å; E236-R240 PolarHBondContact OE1-NE 2.9Å; E236-R240 IonicContact OE1-NH2 3.98Å; E236-R240 PolarHBondContact OE1-NH2 3.14Å; Y237-R240 PolarHBondContact O-N 3.47Å; R240-E243 PolarHBondContact O-N 2.66Å; R240-M244 PolarHBondContact O-N 3.16Å
241	L	92	Very high	89.9	Confident	11 Å²	11	86 Å²	86	6%	0.058	39%	0.393	C	S	.	.	H	α-helix	trans	-67.5	-40	176.2	-72.8	167.9	0	0	0	112.4	I205 T208 Q209 Y237 K239 E243 M244 N245	I205-L241 HydrophobicContact CG2-CD2 4.16Å; T208-L241 HydrophobicContact CG2-CD2 4.09Å; T208-L241 HydrophobicContact CG2-CG 4.31Å; Q209-L241 HydrophobicContact CG-CD1 3.9Å; Q209-L241 HydrophobicContact CG-CD2 3.74Å; Y237-L241 WeakPolarHBondContact O-CB 3.49Å; Y237-L241 VanDerWaalsContact O-CG 3.27Å; Y237-L241 WeakPolarHBondContact O-CG 3.25Å; Y237-L241 PolarHBondContact O-N 3.07Å; K239-L241 VanDerWaalsContact C-N 3.31Å; K239-L241 PolarHBondContact O-N 2.93Å; L241-E243 PolarHBondContact O-N 2.87Å; L241-M244 HydrophobicContact CD2-CE 4Å; L241-N245 WeakPolarHBondContact O-CB 3.3Å; L241-N245 PolarHBondContact O-N 3.11Å; L241-N245 PolarHBondContact O-ND2 3.25Å
242	K	91.1	Very high	90	Very high	115 Å²	115	86.9 Å²	86.9	50%	0.5	39%	0.39	S	S	.	.	H	α-helix	trans	-63.9	-29.8	174.2	-77.4	166.1	-177.3	166.7	0	112.8	E238 K239 R246	E238-K242 HydrophobicContact CG-CD 4.42Å; E238-K242 WeakPolarHBondContact O-CB 3.05Å; E238-K242 WeakPolarHBondContact O-CD 3.35Å; E238-K242 WeakPolarHBondContact O-CG 3.5Å; E238-K242 PolarHBondContact O-N 3.49Å; E238-K242 WeakPolarHBondContact OE1-CE 3.3Å; E238-K242 IonicContact OE1-NZ 3.73Å; E238-K242 PolarHBondContact OE1-NZ 3.33Å; E238-K242 IonicContact OE2-NZ 3.67Å; K239-K242 PolarHBondContact O-N 3.29Å; K242-R246 WeakPolarHBondContact O-CG 3.18Å; K242-R246 PolarHBondContact O-N 3.03Å
243	E	91.4	Very high	90	Very high	116 Å²	116	83.6 Å²	83.6	54%	0.542	39%	0.386	S	S	.	.	H	α-helix	trans	-73.2	-55	175.3	-168.9	152.1	-136	0	0	111.3	K239 R240 L241 N245 R246 D247	K239-E243 PolarHBondContact O-N 2.86Å; R240-E243 PolarHBondContact O-N 2.66Å; L241-E243 PolarHBondContact O-N 2.87Å; E243-N245 VanDerWaalsContact C-N 3.29Å; E243-N245 PolarHBondContact O-N 3.26Å; E243-R246 WeakPolarHBondContact O-CA 3.4Å; E243-R246 WeakPolarHBondContact O-CB 3.47Å; E243-R246 PolarHBondContact O-N 3.38Å; E243-D247 PolarHBondContact O-N 3.48Å; E243-D247 VanDerWaalsContact O-N 3.16Å
244	M	91.3	Very high	89.7	Confident	26 Å²	26	82.9 Å²	82.9	13%	0.128	39%	0.387	C	S	.	.	H	α-helix	trans	-61.5	-33.3	177.7	-66.4	-174.1	-63.7	0	0	113.3	L201 K204 I205 T208 R240 L241 R246 D247 L248	L201-M244 HydrophobicContact CD1-CB 4.19Å; L201-M244 HydrophobicContact CD1-CG 4.39Å; K204-M244 HydrophobicContact CD-SD 4.19Å; K204-M244 HydrophobicContact CG-SD 4.04Å; I205-M244 HydrophobicContact CD1-CB 4Å; I205-M244 HydrophobicContact CG1-CB 3.65Å; I205-M244 HydrophobicContact CG1-CE 4.26Å; I205-M244 HydrophobicContact CG1-SD 4.43Å; T208-M244 HydrophobicContact CG2-CE 3.85Å; R240-M244 PolarHBondContact O-N 3.16Å; L241-M244 HydrophobicContact CD2-CE 4Å; M244-R246 VanDerWaalsContact C-N 3.33Å; M244-R246 PolarHBondContact O-N 3.04Å; M244-D247 PolarHBondContact O-N 2.99Å; M244-L248 WeakPolarHBondContact O-CB 3.49Å; M244-L248 PolarHBondContact O-N 3.03Å
245	N	91.1	Very high	89.5	Confident	62 Å²	62	81.3 Å²	81.3	33%	0.332	38%	0.384	S	S	.	.	H	α-helix	trans	-69.6	-26.9	173.7	-82.2	-81.6	0	0	0	113.2	L241 E243 L249	L241-N245 WeakPolarHBondContact O-CB 3.3Å; L241-N245 PolarHBondContact O-N 3.11Å; L241-N245 PolarHBondContact O-ND2 3.25Å; E243-N245 VanDerWaalsContact C-N 3.29Å; E243-N245 PolarHBondContact O-N 3.26Å; N245-L249 WeakPolarHBondContact O-CG 3.32Å; N245-L249 PolarHBondContact O-N 3.37Å; N245-L249 VanDerWaalsContact O-N 3.14Å
246	R	92.4	Very high	89.3	Confident	181 Å²	181	82.4 Å²	82.4	68%	0.683	39%	0.386	S	S	*	.	H	α-helix	trans	-69	-40.4	169.3	-80.1	172.5	167.9	161.9	-3.6	111.1	K242 E243 M244 L249 K250	K242-R246 WeakPolarHBondContact O-CG 3.18Å; K242-R246 PolarHBondContact O-N 3.03Å; E243-R246 WeakPolarHBondContact O-CA 3.4Å; E243-R246 WeakPolarHBondContact O-CB 3.47Å; E243-R246 PolarHBondContact O-N 3.38Å; M244-R246 VanDerWaalsContact C-N 3.33Å; M244-R246 PolarHBondContact O-N 3.04Å; R246-L249 WeakPolarHBondContact O-CB 3.39Å; R246-L249 PolarHBondContact O-N 3.46Å; R246-K250 WeakPolarHBondContact O-CG 3.42Å; R246-K250 PolarHBondContact O-N 3.48Å
247	D	89.3	Confident	88.8	Confident	62 Å²	62	82.2 Å²	82.2	33%	0.332	39%	0.385	S	S	.	.	H	α-helix	trans	-70.1	-35.7	177.9	-66.6	-27.8	0	0	0	112	L201 E243 M244 L249 K250 L251	L201-D247 HydrophobicContact CD2-CB 4.02Å; E243-D247 PolarHBondContact O-N 3.48Å; E243-D247 VanDerWaalsContact O-N 3.16Å; M244-D247 PolarHBondContact O-N 2.99Å; D247-L249 VanDerWaalsContact C-N 3.32Å; D247-L249 PolarHBondContact O-N 2.93Å; D247-K250 WeakPolarHBondContact O-CB 3.45Å; D247-K250 PolarHBondContact O-N 3.3Å; D247-K250 WeakPolarHBondContact OD1-CD 3.23Å; D247-K250 VanDerWaalsContact OD1-CE 3.31Å; D247-K250 WeakPolarHBondContact OD1-CE 3.46Å; D247-K250 IonicContact OD1-NZ 3.59Å; D247-K250 PolarHBondContact OD1-NZ 3.47Å; D247-L251 WeakPolarHBondContact O-CB 3.31Å; D247-L251 PolarHBondContact O-N 3.49Å
248	L	91.4	Very high	88.2	Confident	22 Å²	22	81.6 Å²	81.6	12%	0.115	38%	0.384	C	S	.	.	H	α-helix	trans	-57.8	-44.7	169.8	-176.2	66.9	0	0	0	111.4	L198 L201 Q202 I205 M244 L251 Q252	L198-L248 HydrophobicContact CD1-CD1 3.64Å; L201-L248 HydrophobicContact CD2-CB 4.16Å; Q202-L248 HydrophobicContact CG-CD1 3.66Å; I205-L248 HydrophobicContact CD1-CB 4.06Å; I205-L248 HydrophobicContact CD1-CD2 3.94Å; I205-L248 HydrophobicContact CD1-CG 4.47Å; M244-L248 WeakPolarHBondContact O-CB 3.49Å; M244-L248 PolarHBondContact O-N 3.03Å; L248-L251 PolarHBondContact O-N 3.26Å; L248-Q252 WeakPolarHBondContact O-CB 3.39Å; L248-Q252 VanDerWaalsContact O-CG 3.32Å; L248-Q252 WeakPolarHBondContact O-CG 3.44Å; L248-Q252 PolarHBondContact O-N 2.98Å
249	L	89.9	Confident	87.6	Confident	113 Å²	113	79.7 Å²	79.7	59%	0.592	38%	0.383	S	S	*	.	H	α-helix	trans	-64	-38.9	175.6	-81	163.9	0	0	0	113.1	N245 R246 D247 A253	N245-L249 WeakPolarHBondContact O-CG 3.32Å; N245-L249 PolarHBondContact O-N 3.37Å; N245-L249 VanDerWaalsContact O-N 3.14Å; R246-L249 WeakPolarHBondContact O-CB 3.39Å; R246-L249 PolarHBondContact O-N 3.46Å; D247-L249 VanDerWaalsContact C-N 3.32Å; D247-L249 PolarHBondContact O-N 2.93Å; L249-A253 WeakPolarHBondContact O-CB 3.43Å; L249-A253 PolarHBondContact O-N 3.38Å; L249-A253 VanDerWaalsContact O-N 3.07Å
250	K	89	Confident	87.1	Confident	134 Å²	134	79.9 Å²	79.9	58%	0.583	38%	0.38	S	S	*	.	H	α-helix	trans	-61.9	-44.8	172.5	-66.2	171.5	-167.6	165.5	0	111	R246 D247 A253 A254	R246-K250 WeakPolarHBondContact O-CG 3.42Å; R246-K250 PolarHBondContact O-N 3.48Å; D247-K250 WeakPolarHBondContact O-CB 3.45Å; D247-K250 PolarHBondContact O-N 3.3Å; D247-K250 WeakPolarHBondContact OD1-CD 3.23Å; D247-K250 VanDerWaalsContact OD1-CE 3.31Å; D247-K250 WeakPolarHBondContact OD1-CE 3.46Å; D247-K250 IonicContact OD1-NZ 3.59Å; D247-K250 PolarHBondContact OD1-NZ 3.47Å; K250-A253 WeakPolarHBondContact O-CB 3.47Å; K250-A253 PolarHBondContact O-N 2.97Å; K250-A254 PolarHBondContact O-N 3.36Å
251	L	87.9	Confident	86.4	Confident	30 Å²	30	79 Å²	79	16%	0.157	38%	0.383	C	S	.	.	H	α-helix	trans	-72.2	-37.4	-174.3	-145.3	155.6	0	0	0	111.6	Y194 K197 L198 D247 L248 A253 A254 Q255	Y194-L251 HydrophobicContact CD1-CD2 4.02Å; Y194-L251 HydrophobicContact CD1-CG 4.34Å; Y194-L251 VanDerWaalsContact O-CD2 3.28Å; Y194-L251 WeakPolarHBondContact O-CD2 3.36Å; K197-L251 HydrophobicContact CB-CD1 3.87Å; L198-L251 HydrophobicContact CB-CD2 3.88Å; L198-L251 HydrophobicContact CD1-CB 4.41Å; L198-L251 HydrophobicContact CD1-CD2 3.98Å; D247-L251 WeakPolarHBondContact O-CB 3.31Å; D247-L251 PolarHBondContact O-N 3.49Å; L248-L251 PolarHBondContact O-N 3.26Å; L251-A253 VanDerWaalsContact C-N 3.34Å; L251-A253 PolarHBondContact O-N 3.47Å; L251-A254 PolarHBondContact O-N 2.69Å; L251-Q255 WeakPolarHBondContact O-CB 3.48Å; L251-Q255 PolarHBondContact O-N 2.97Å
252	Q	86.5	Confident	85.4	Confident	77 Å²	77	81.1 Å²	81.1	36%	0.36	39%	0.394	S	S	.	.	H	α-helix	trans	-63.2	-36.1	168.3	-72.7	177.2	-19.8	0	0	112.7	L198 L248 K256	L198-Q252 HydrophobicContact CD1-CG 3.73Å; L248-Q252 WeakPolarHBondContact O-CB 3.39Å; L248-Q252 VanDerWaalsContact O-CG 3.32Å; L248-Q252 WeakPolarHBondContact O-CG 3.44Å; L248-Q252 PolarHBondContact O-N 2.98Å; Q252-K256 WeakPolarHBondContact O-CB 3.31Å; Q252-K256 PolarHBondContact O-N 3.36Å
253	A	86.3	Confident	84.7	Confident	52 Å²	52	84.4 Å²	84.4	43%	0.43	41%	0.408	S	S	.	.	H	α-helix	trans	-67.4	-41.7	174.1	0	0	0	0	0	111.8	L249 K250 L251 K256 E257	L249-A253 WeakPolarHBondContact O-CB 3.43Å; L249-A253 PolarHBondContact O-N 3.38Å; L249-A253 VanDerWaalsContact O-N 3.07Å; K250-A253 WeakPolarHBondContact O-CB 3.47Å; K250-A253 PolarHBondContact O-N 2.97Å; L251-A253 VanDerWaalsContact C-N 3.34Å; L251-A253 PolarHBondContact O-N 3.47Å; A253-K256 PolarHBondContact O-N 2.89Å; A253-E257 PolarHBondContact O-N 3.48Å; A253-E257 VanDerWaalsContact O-N 3.11Å
254	A	82	Confident	83.9	Confident	32 Å²	32	83.2 Å²	83.2	26%	0.264	41%	0.406	S	S	.	.	H	α-helix	trans	-62.6	-46.1	174	0	0	0	0	0	112	Y194 K250 L251 K256 E257 H258	Y194-A254 HydrophobicContact CD1-CB 4.38Å; Y194-A254 HydrophobicContact CE1-CB 3.94Å; K250-A254 PolarHBondContact O-N 3.36Å; L251-A254 PolarHBondContact O-N 2.69Å; A254-K256 PolarHBondContact O-N 3.37Å; A254-E257 PolarHBondContact O-N 3.49Å; A254-H258 WeakPolarHBondContact O-CB 3.41Å; A254-H258 PolarHBondContact O-N 2.88Å
255	Q	82.4	Confident	83.2	Confident	62 Å²	62	83.9 Å²	83.9	29%	0.29	41%	0.408	S	S	.	.	H	α-helix	trans	-57	-37.7	174.2	-169.4	-170	25.9	0	0	111.7	L251 H258 A259	L251-Q255 WeakPolarHBondContact O-CB 3.48Å; L251-Q255 PolarHBondContact O-N 2.97Å; Q255-H258 PolarHBondContact O-N 2.8Å; Q255-A259 WeakPolarHBondContact O-CB 3.36Å; Q255-A259 PolarHBondContact O-N 3.08Å
256	K	84.9	Confident	82.6	Confident	159 Å²	159	82.1 Å²	82.1	69%	0.691	41%	0.405	S	S	*	.	H	α-helix	trans	-70.7	-37.9	179.3	-173.4	173.4	-179.2	174.9	0	113.5	Q252 A253 A254 R260	Q252-K256 WeakPolarHBondContact O-CB 3.31Å; Q252-K256 PolarHBondContact O-N 3.36Å; A253-K256 PolarHBondContact O-N 2.89Å; A254-K256 PolarHBondContact O-N 3.37Å; K256-R260 PolarHBondContact O-N 3.29Å
257	E	80.6	Confident	81.9	Confident	96 Å²	96	81.2 Å²	81.2	45%	0.449	40%	0.402	S	S	.	.	H	α-helix	trans	-73.9	-33.2	172	-69.4	-61.4	145.1	0	0	111.5	A253 A254 R260 L261	A253-E257 PolarHBondContact O-N 3.48Å; A253-E257 VanDerWaalsContact O-N 3.11Å; A254-E257 PolarHBondContact O-N 3.49Å; E257-R260 WeakPolarHBondContact O-CA 3.21Å; E257-R260 WeakPolarHBondContact O-CB 3.38Å; E257-R260 PolarHBondContact O-N 2.91Å; E257-R260 VanDerWaalsContact O-N 3.12Å; E257-R260 IonicContact OE1-NH1 2.97Å; E257-R260 PolarHBondContact OE1-NH1 2.96Å; E257-R260 WeakPolarHBondContact OE2-CD 3.33Å; E257-R260 IonicContact OE2-CZ 3.82Å; E257-R260 IonicContact OE2-NE 2.78Å; E257-R260 IonicContact OE2-NH1 2.61Å; E257-R260 PolarHBondContact OE2-NH1 2.72Å; E257-L261 WeakPolarHBondContact O-CG 3.24Å; E257-L261 PolarHBondContact O-N 2.84Å
258	H	78.6	Confident	81.5	Confident	14 Å²	14	83.9 Å²	83.9	7%	0.065	41%	0.408	C	S	.	.	H	α-helix	trans	-60.9	-49	170.6	-172.2	-66.2	0	0	0	111.5	L187 K191 A254 Q255 R260 L261 L262	L187-H258 PolarHBondContact O-CE1 2.85Å; L187-H258 PolarHBondContact O-NE2 2.98Å; K191-H258 VanDerWaalsContact CB-CE1 3.41Å; K191-H258 WeakPolarHBondContact CB-CE1 3.23Å; K191-H258 PolarHBondContact N-NE2 3.45Å; A254-H258 WeakPolarHBondContact O-CB 3.41Å; A254-H258 PolarHBondContact O-N 2.88Å; Q255-H258 PolarHBondContact O-N 2.8Å; H258-R260 PolarHBondContact O-N 3.39Å; H258-R260 VanDerWaalsContact O-N 3.12Å; H258-L261 WeakPolarHBondContact O-CA 3.26Å; H258-L261 WeakPolarHBondContact O-CB 3.43Å; H258-L261 PolarHBondContact O-N 2.92Å; H258-L262 PolarHBondContact O-N 3Å
259	A	78.3	Confident	81.3	Confident	49 Å²	49	86.2 Å²	86.2	41%	0.405	42%	0.418	S	S	.	.	H	α-helix	trans	-60.4	-22.9	173.9	0	0	0	0	0	113.5	Q255 K263	Q255-A259 WeakPolarHBondContact O-CB 3.36Å; Q255-A259 PolarHBondContact O-N 3.08Å; A259-K263 WeakPolarHBondContact O-CG 3.09Å; A259-K263 PolarHBondContact O-N 2.98Å
260	R	82.3	Confident	81.2	Confident	151 Å²	151	88.7 Å²	88.7	57%	0.57	42%	0.42	S	S	*	.	H	α-helix	trans	-80.5	-37	172.9	-173.8	-164.4	-177.4	-176.6	-2	112	K256 E257 H258 L262 K263 N264	K256-R260 PolarHBondContact O-N 3.29Å; E257-R260 WeakPolarHBondContact O-CA 3.21Å; E257-R260 WeakPolarHBondContact O-CB 3.38Å; E257-R260 PolarHBondContact O-N 2.91Å; E257-R260 VanDerWaalsContact O-N 3.12Å; E257-R260 IonicContact OE1-NH1 2.97Å; E257-R260 PolarHBondContact OE1-NH1 2.96Å; E257-R260 WeakPolarHBondContact OE2-CD 3.33Å; E257-R260 IonicContact OE2-CZ 3.82Å; E257-R260 IonicContact OE2-NE 2.78Å; E257-R260 IonicContact OE2-NH1 2.61Å; E257-R260 PolarHBondContact OE2-NH1 2.72Å; H258-R260 PolarHBondContact O-N 3.39Å; H258-R260 VanDerWaalsContact O-N 3.12Å; R260-L262 VanDerWaalsContact C-N 3.33Å; R260-K263 PolarHBondContact O-N 3.41Å; R260-N264 PolarHBondContact O-N 2.86Å
261	L	75.4	Confident	81.1	Confident	95 Å²	95	87 Å²	87	50%	0.497	41%	0.414	S	S	.	.	H	α-helix	trans	-63	-40.9	169.3	-66.6	171.9	0	0	0	110.7	L187 E257 H258 K263 N264 Q265	L187-L261 HydrophobicContact CD1-CB 4.49Å; E257-L261 WeakPolarHBondContact O-CG 3.24Å; E257-L261 PolarHBondContact O-N 2.84Å; H258-L261 WeakPolarHBondContact O-CA 3.26Å; H258-L261 WeakPolarHBondContact O-CB 3.43Å; H258-L261 PolarHBondContact O-N 2.92Å; L261-K263 VanDerWaalsContact C-N 3.29Å; L261-K263 PolarHBondContact O-N 2.89Å; L261-N264 CarbonylContact O-C 3.42Å; L261-N264 WeakPolarHBondContact O-CA 3.44Å; L261-N264 WeakPolarHBondContact O-CB 3.46Å; L261-N264 PolarHBondContact O-N 3.08Å; L261-Q265 PolarHBondContact O-N 2.91Å
262	L	71.7	Confident	81.2	Confident	56 Å²	56	86.6 Å²	86.6	29%	0.293	41%	0.412	S	S	.	.	H	α-helix	trans	-56.9	-38.8	170.7	-122	69.2	0	0	0	112.5	L187 K191 H258 R260 N264 Q265	L187-L262 HydrophobicContact CD2-CD1 3.95Å; L187-L262 HydrophobicContact CG-CD1 4.15Å; K191-L262 HydrophobicContact CD-CD2 4.2Å; H258-L262 PolarHBondContact O-N 3Å; R260-L262 VanDerWaalsContact C-N 3.33Å; L262-N264 PolarHBondContact O-N 3.49Å; L262-Q265 VanDerWaalsContact CD1-OE1 3.3Å; L262-Q265 WeakPolarHBondContact O-CB 3.36Å; L262-Q265 PolarHBondContact O-N 3.4Å
263	K	75.8	Confident	81.5	Confident	183 Å²	183	90 Å²	90	80%	0.796	43%	0.426	S	S	*	.	H	α-helix	trans	-69.3	-15.6	174	-73.5	-177	179.1	-171	0	114.3	A259 R260 L261	A259-K263 WeakPolarHBondContact O-CG 3.09Å; A259-K263 PolarHBondContact O-N 2.98Å; R260-K263 PolarHBondContact O-N 3.41Å; L261-K263 VanDerWaalsContact C-N 3.29Å; L261-K263 PolarHBondContact O-N 2.89Å
264	N	75.1	Confident	81.9	Confident	92 Å²	92	93.4 Å²	93.4	49%	0.492	43%	0.431	S	S	.	.	H	α-helix	trans	-89.3	-19.4	167.5	-67.7	-29.6	0	0	0	112.8	R260 L261 L262 G266 R267	R260-N264 PolarHBondContact O-N 2.86Å; L261-N264 CarbonylContact O-C 3.42Å; L261-N264 WeakPolarHBondContact O-CA 3.44Å; L261-N264 WeakPolarHBondContact O-CB 3.46Å; L261-N264 PolarHBondContact O-N 3.08Å; L262-N264 PolarHBondContact O-N 3.49Å; N264-G266 PolarHBondContact O-N 2.77Å; N264-R267 WeakPolarHBondContact O-CB 3.34Å; N264-R267 PolarHBondContact O-N 2.94Å
265	Q	76.7	Confident	82.4	Confident	39 Å²	39	92.8 Å²	92.8	18%	0.182	42%	0.423	C	S	.	.	H	α-helix	trans	-54.4	-39.1	-179.4	-168.3	-179.1	-49.9	0	0	112.5	L261 L262 R267 Y268 E269	L261-Q265 PolarHBondContact O-N 2.91Å; L262-Q265 VanDerWaalsContact CD1-OE1 3.3Å; L262-Q265 WeakPolarHBondContact O-CB 3.36Å; L262-Q265 PolarHBondContact O-N 3.4Å; Q265-R267 CarbonylContact O-C 3.44Å; Q265-R267 PolarHBondContact O-N 3.19Å; Q265-Y268 WeakPolarHBondContact O-CA 3.45Å; Q265-Y268 PolarHBondContact O-N 2.99Å; Q265-E269 HydrophobicContact CG-CG 4.25Å; Q265-E269 WeakPolarHBondContact CG-OE1 3.47Å; Q265-E269 PolarHBondContact NE2-OE1 2.87Å; Q265-E269 PolarHBondContact O-N 2.92Å
266	G	78	Confident	82.9	Confident	26 Å²	26	93 Å²	93	27%	0.268	42%	0.424	S	S	.	.	H	α-helix	trans	-61.2	-4.8	175.1	0	0	0	0	0	115.4	N264 R270	N264-G266 PolarHBondContact O-N 2.77Å; G266-R270 PolarHBondContact O-NE 2.94Å; G266-R270 PolarHBondContact O-NH2 3.07Å
267	R	78.1	Confident	83.5	Confident	162 Å²	162	89.2 Å²	89.2	61%	0.611	41%	0.414	S	S	*	.	H	α-helix	trans	-80.8	-54.6	161.9	-178.5	-173.7	-66	-98.4	1.2	110.7	N264 Q265 E269 R270 E271	N264-R267 WeakPolarHBondContact O-CB 3.34Å; N264-R267 PolarHBondContact O-N 2.94Å; Q265-R267 CarbonylContact O-C 3.44Å; Q265-R267 PolarHBondContact O-N 3.19Å; R267-E269 VanDerWaalsContact C-N 3.27Å; R267-E269 PolarHBondContact O-N 3.29Å; R267-R270 PolarHBondContact O-N 2.86Å; R267-E271 PolarHBondContact O-N 2.75Å
268	Y	81.3	Confident	84.1	Confident	118 Å²	118	86.9 Å²	86.9	46%	0.463	40%	0.403	S	S	.	.	H	α-helix	trans	-60.7	-34.2	179.6	-61.4	-68.7	0	0	0	112.4	L180 Q265 R270 E271 L272	L180-Y268 HydrophobicContact CD2-CD1 4.15Å; Q265-Y268 WeakPolarHBondContact O-CA 3.45Å; Q265-Y268 PolarHBondContact O-N 2.99Å; Y268-R270 VanDerWaalsContact C-N 3.35Å; Y268-R270 PolarHBondContact O-N 3.3Å; Y268-E271 PolarHBondContact O-N 2.92Å; Y268-L272 VanDerWaalsContact O-CB 3.27Å; Y268-L272 WeakPolarHBondContact O-CB 3.31Å; Y268-L272 PolarHBondContact O-N 2.86Å
269	E	85.5	Confident	84.9	Confident	70 Å²	70	86.3 Å²	86.3	33%	0.327	40%	0.401	S	S	.	.	H	α-helix	trans	-65.1	-34.6	173.2	-70.6	166.6	-172.1	0	0	113.4	Q265 R267 K273	Q265-E269 HydrophobicContact CG-CG 4.25Å; Q265-E269 WeakPolarHBondContact CG-OE1 3.47Å; Q265-E269 PolarHBondContact NE2-OE1 2.87Å; Q265-E269 PolarHBondContact O-N 2.92Å; R267-E269 VanDerWaalsContact C-N 3.27Å; R267-E269 PolarHBondContact O-N 3.29Å; E269-K273 WeakPolarHBondContact O-CB 3.43Å; E269-K273 VanDerWaalsContact O-CG 3.25Å; E269-K273 WeakPolarHBondContact O-CG 3.48Å; E269-K273 PolarHBondContact O-N 3.36Å
270	R	89.1	Confident	85.6	Confident	165 Å²	165	87.9 Å²	87.9	62%	0.623	40%	0.402	S	S	*	.	H	α-helix	trans	-74.9	-31.5	174.4	-80.9	-179.8	-76.7	106.9	-2.5	111.9	G266 R267 Y268 K274	G266-R270 PolarHBondContact O-NE 2.94Å; G266-R270 PolarHBondContact O-NH2 3.07Å; R267-R270 PolarHBondContact O-N 2.86Å; Y268-R270 VanDerWaalsContact C-N 3.35Å; Y268-R270 PolarHBondContact O-N 3.3Å; R270-K274 WeakPolarHBondContact O-CB 3.45Å; R270-K274 PolarHBondContact O-N 3.05Å; R270-K274 VanDerWaalsContact O-N 3.09Å
271	E	87.3	Confident	86.2	Confident	99 Å²	99	86.8 Å²	86.8	46%	0.463	40%	0.403	S	S	.	.	H	α-helix	trans	-72.2	-45.9	176.1	-163	149.7	-142.7	0	0	111	R267 Y268 K274 L275	R267-E271 PolarHBondContact O-N 2.75Å; Y268-E271 PolarHBondContact O-N 2.92Å; E271-K274 WeakPolarHBondContact O-CB 3.31Å; E271-K274 PolarHBondContact O-N 3.16Å; E271-L275 WeakPolarHBondContact O-CG 3.27Å; E271-L275 PolarHBondContact O-N 3.25Å
272	L	90.2	Very high	87.1	Confident	21 Å²	21	83.1 Å²	83.1	11%	0.11	38%	0.384	C	S	.	.	H	α-helix	trans	-55.6	-52.9	170.4	-168.5	81.6	0	0	0	111.1	I177 L180 E181 Y268 K274 L275 Q276	I177-L272 HydrophobicContact CB-CD1 4.33Å; I177-L272 HydrophobicContact CG1-CD1 4.49Å; I177-L272 HydrophobicContact CG2-CD1 3.97Å; L180-L272 HydrophobicContact CB-CD1 3.69Å; L180-L272 HydrophobicContact CD1-CD1 4.28Å; E181-L272 HydrophobicContact CG-CD1 4.02Å; E181-L272 HydrophobicContact CG-CD2 4.17Å; Y268-L272 VanDerWaalsContact O-CB 3.27Å; Y268-L272 WeakPolarHBondContact O-CB 3.31Å; Y268-L272 PolarHBondContact O-N 2.86Å; L272-K274 VanDerWaalsContact C-N 3.27Å; L272-K274 PolarHBondContact O-N 2.89Å; L272-L275 PolarHBondContact O-N 3.35Å; L272-L275 VanDerWaalsContact O-N 3.13Å; L272-Q276 PolarHBondContact O-N 2.9Å
273	K	92.7	Very high	88.1	Confident	150 Å²	150	84.5 Å²	84.5	65%	0.652	39%	0.388	S	S	*	.	H	α-helix	trans	-58.9	-36.8	178.1	-76.7	174.3	179.2	179.3	0	112.8	E269 Q276 T277	E269-K273 WeakPolarHBondContact O-CB 3.43Å; E269-K273 VanDerWaalsContact O-CG 3.25Å; E269-K273 WeakPolarHBondContact O-CG 3.48Å; E269-K273 PolarHBondContact O-N 3.36Å; K273-Q276 PolarHBondContact O-N 2.63Å; K273-T277 PolarHBondContact O-N 3.2Å; K273-T277 PolarHBondContact O-OG1 3.42Å
274	K	94.3	Very high	89	Confident	123 Å²	123	82.7 Å²	82.7	54%	0.535	38%	0.38	S	S	.	.	H	α-helix	trans	-66.6	-43.8	175.3	-177.9	176.8	179.3	-69.2	0	111.8	R270 E271 L272 T277 E278	R270-K274 WeakPolarHBondContact O-CB 3.45Å; R270-K274 PolarHBondContact O-N 3.05Å; R270-K274 VanDerWaalsContact O-N 3.09Å; E271-K274 WeakPolarHBondContact O-CB 3.31Å; E271-K274 PolarHBondContact O-N 3.16Å; L272-K274 VanDerWaalsContact C-N 3.27Å; L272-K274 PolarHBondContact O-N 2.89Å; K274-T277 WeakPolarHBondContact CA-OG1 3.27Å; K274-T277 PolarHBondContact O-N 3.49Å; K274-T277 PolarHBondContact O-OG1 2.85Å; K274-E278 IonicContact NZ-OE1 3.32Å; K274-E278 PolarHBondContact NZ-OE1 3.12Å; K274-E278 PolarHBondContact O-N 3.31Å
275	L	92.7	Very high	89.8	Confident	19 Å²	19	81.8 Å²	81.8	10%	0.099	38%	0.378	C	S	.	.	H	α-helix	trans	-63.8	-42.7	174.5	-69.2	167.2	0	0	0	111.3	K173 L176 I177 L180 E271 L272 T277 E278 V279	K173-L275 HydrophobicContact CG-CD2 4.29Å; L176-L275 HydrophobicContact CD2-CD1 3.71Å; L176-L275 HydrophobicContact CD2-CD2 4.16Å; L176-L275 HydrophobicContact CG-CD1 3.87Å; I177-L275 HydrophobicContact CD1-CB 3.98Å; I177-L275 HydrophobicContact CG1-CB 3.66Å; I177-L275 HydrophobicContact CG1-CD1 4.44Å; L180-L275 HydrophobicContact CD1-CD1 3.74Å; E271-L275 WeakPolarHBondContact O-CG 3.27Å; E271-L275 PolarHBondContact O-N 3.25Å; L272-L275 PolarHBondContact O-N 3.35Å; L272-L275 VanDerWaalsContact O-N 3.13Å; L275-T277 VanDerWaalsContact C-N 3.32Å; L275-T277 PolarHBondContact O-N 2.81Å; L275-E278 PolarHBondContact O-N 3.21Å; L275-V279 WeakPolarHBondContact O-CB 3.49Å; L275-V279 WeakPolarHBondContact O-CG2 3.44Å; L275-V279 PolarHBondContact O-N 3.19Å
276	Q	93.3	Very high	90.6	Very high	67 Å²	67	82.5 Å²	82.5	31%	0.313	38%	0.38	S	S	.	.	H	α-helix	trans	-56.9	-43.9	174.1	-131.4	87	7.8	0	0	111.7	L272 K273 N280	L272-Q276 PolarHBondContact O-N 2.9Å; K273-Q276 PolarHBondContact O-N 2.63Å; Q276-N280 WeakPolarHBondContact O-CB 3.26Å; Q276-N280 PolarHBondContact O-N 2.87Å; Q276-N280 PolarHBondContact O-ND2 3.46Å
277	T	95.8	Very high	91.3	Very high	79 Å²	79	86 Å²	86	49%	0.485	40%	0.397	S	S	.	.	H	α-helix	trans	-66.1	-44	177.1	44.9	0	0	0	0	112.2	K273 K274 L275 N280 E281	K273-T277 PolarHBondContact O-N 3.2Å; K273-T277 PolarHBondContact O-OG1 3.42Å; K274-T277 WeakPolarHBondContact CA-OG1 3.27Å; K274-T277 PolarHBondContact O-N 3.49Å; K274-T277 PolarHBondContact O-OG1 2.85Å; L275-T277 VanDerWaalsContact C-N 3.32Å; L275-T277 PolarHBondContact O-N 2.81Å; T277-N280 PolarHBondContact O-N 3.26Å; T277-E281 WeakPolarHBondContact O-CG 3.38Å; T277-E281 PolarHBondContact O-N 3.36Å
278	E	94.4	Very high	92	Very high	46 Å²	46	82.2 Å²	82.2	22%	0.215	39%	0.391	C	S	.	.	H	α-helix	trans	-62.7	-46.1	176.8	-75.2	177.8	-140.9	0	0	112	K173 K274 L275 N280 E281 M282	K173-E278 WeakPolarHBondContact CE-OE2 3.39Å; K173-E278 IonicContact NZ-OE2 2.94Å; K173-E278 PolarHBondContact NZ-OE2 3.12Å; K274-E278 IonicContact NZ-OE1 3.32Å; K274-E278 PolarHBondContact NZ-OE1 3.12Å; K274-E278 PolarHBondContact O-N 3.31Å; L275-E278 PolarHBondContact O-N 3.21Å; E278-N280 VanDerWaalsContact C-N 3.27Å; E278-N280 PolarHBondContact O-N 2.9Å; E278-E281 PolarHBondContact O-N 2.83Å; E278-E281 VanDerWaalsContact O-N 3.09Å; E278-M282 HydrophobicContact CB-CE 4.15Å; E278-M282 VanDerWaalsContact O-CE 3.32Å; E278-M282 WeakPolarHBondContact O-CE 3.37Å; E278-M282 WeakPolarHBondContact O-CG 3.23Å; E278-M282 PolarHBondContact O-N 3.29Å
279	V	95.1	Very high	92.4	Very high	2 Å²	2	77.7 Å²	77.7	1%	0.012	38%	0.375	C	S	.	.	H	α-helix	trans	-59.1	-39.1	176.2	168.8	0	0	0	0	111.3	K173 I177 L275 M282 K283	K173-V279 HydrophobicContact CB-CG2 3.59Å; I177-V279 HydrophobicContact CD1-CB 4.25Å; I177-V279 HydrophobicContact CD1-CG2 3.79Å; L275-V279 WeakPolarHBondContact O-CB 3.49Å; L275-V279 WeakPolarHBondContact O-CG2 3.44Å; L275-V279 PolarHBondContact O-N 3.19Å; V279-M282 HydrophobicContact CB-CE 4.48Å; V279-M282 HydrophobicContact CG2-CE 4.03Å; V279-K283 HydrophobicContact CG1-CD 3.89Å; V279-K283 VanDerWaalsContact CG1-CE 3.42Å; V279-K283 HydrophobicContact CG1-CG 4.5Å; V279-K283 VanDerWaalsContact O-CB 3.31Å; V279-K283 WeakPolarHBondContact O-CB 3.32Å; V279-K283 WeakPolarHBondContact O-CG 3.46Å; V279-K283 PolarHBondContact O-N 3.26Å
280	N	93.3	Very high	92.4	Very high	83 Å²	83	78.1 Å²	78.1	44%	0.444	38%	0.377	S	S	.	.	H	α-helix	trans	-74.2	-24.2	176.1	-71.6	-21.6	0	0	0	113.8	Q276 T277 E278 K284	Q276-N280 WeakPolarHBondContact O-CB 3.26Å; Q276-N280 PolarHBondContact O-N 2.87Å; Q276-N280 PolarHBondContact O-ND2 3.46Å; T277-N280 PolarHBondContact O-N 3.26Å; E278-N280 VanDerWaalsContact C-N 3.27Å; E278-N280 PolarHBondContact O-N 2.9Å; N280-K284 WeakPolarHBondContact O-CD 3.19Å; N280-K284 VanDerWaalsContact O-CG 3.29Å; N280-K284 WeakPolarHBondContact O-CG 3.37Å; N280-K284 PolarHBondContact O-N 3.21Å
281	E	95.2	Very high	92.5	Very high	127 Å²	127	76.3 Å²	76.3	59%	0.593	37%	0.374	S	S	*	.	H	α-helix	trans	-77.6	-44	171	-74	179.6	163.3	0	0	111.5	T277 E278 K283 K284 T285	T277-E281 WeakPolarHBondContact O-CG 3.38Å; T277-E281 PolarHBondContact O-N 3.36Å; E278-E281 PolarHBondContact O-N 2.83Å; E278-E281 VanDerWaalsContact O-N 3.09Å; E281-K283 PolarHBondContact O-N 3.35Å; E281-K284 WeakPolarHBondContact O-CA 3.48Å; E281-K284 WeakPolarHBondContact O-CB 3.33Å; E281-K284 PolarHBondContact O-N 3.24Å; E281-T285 PolarHBondContact O-N 3.23Å
282	M	93.4	Very high	92.6	Very high	18 Å²	18	76.1 Å²	76.1	9%	0.089	37%	0.373	C	S	.	.	H	α-helix	trans	-65.8	-36.5	175.8	-66.2	175.8	-63.9	0	0	112.4	L166 E169 I170 K173 E278 V279 K284 T285 K286	L166-M282 HydrophobicContact CD1-CB 3.77Å; L166-M282 HydrophobicContact CD1-CG 3.88Å; L166-M282 HydrophobicContact CD1-SD 4.45Å; E169-M282 HydrophobicContact CB-SD 4.36Å; E169-M282 HydrophobicContact CG-SD 3.9Å; I170-M282 HydrophobicContact CD1-CB 3.93Å; I170-M282 HydrophobicContact CG1-CB 3.59Å; I170-M282 HydrophobicContact CG1-CE 4.44Å; K173-M282 HydrophobicContact CB-CE 4.5Å; K173-M282 HydrophobicContact CD-CE 3.33Å; K173-M282 HydrophobicContact CD-SD 4.18Å; E278-M282 HydrophobicContact CB-CE 4.15Å; E278-M282 VanDerWaalsContact O-CE 3.32Å; E278-M282 WeakPolarHBondContact O-CE 3.37Å; E278-M282 WeakPolarHBondContact O-CG 3.23Å; E278-M282 PolarHBondContact O-N 3.29Å; V279-M282 HydrophobicContact CB-CE 4.48Å; V279-M282 HydrophobicContact CG2-CE 4.03Å; M282-K284 VanDerWaalsContact C-N 3.25Å; M282-K284 PolarHBondContact O-N 3Å; M282-T285 WeakPolarHBondContact CA-OG1 3.5Å; M282-T285 PolarHBondContact O-N 3.43Å; M282-T285 PolarHBondContact O-OG1 3.21Å; M282-T285 VanDerWaalsContact O-OG1 3.05Å; M282-K286 WeakPolarHBondContact O-CB 3.46Å; M282-K286 PolarHBondContact O-N 3.45Å
283	K	93.4	Very high	92.4	Very high	86 Å²	86	77.6 Å²	77.6	37%	0.374	38%	0.38	S	S	.	.	H	α-helix	trans	-60.5	-35	171	-76.5	169.8	-178.2	170.7	0	111.6	I170 V279 E281 V287	I170-K283 HydrophobicContact CD1-CG 4.2Å; I170-K283 HydrophobicContact CG2-CG 4.35Å; V279-K283 HydrophobicContact CG1-CD 3.89Å; V279-K283 VanDerWaalsContact CG1-CE 3.42Å; V279-K283 HydrophobicContact CG1-CG 4.5Å; V279-K283 VanDerWaalsContact O-CB 3.31Å; V279-K283 WeakPolarHBondContact O-CB 3.32Å; V279-K283 WeakPolarHBondContact O-CG 3.46Å; V279-K283 PolarHBondContact O-N 3.26Å; E281-K283 PolarHBondContact O-N 3.35Å; K283-V287 WeakPolarHBondContact O-CG2 3.27Å; K283-V287 PolarHBondContact O-N 2.91Å
284	K	94.9	Very high	92.1	Very high	145 Å²	145	76.5 Å²	76.5	63%	0.63	38%	0.376	S	S	*	.	H	α-helix	trans	-72.1	-44.8	174	-70	166.4	-174.1	175.7	0	112.4	N280 E281 M282 K286 V287 V288	N280-K284 WeakPolarHBondContact O-CD 3.19Å; N280-K284 VanDerWaalsContact O-CG 3.29Å; N280-K284 WeakPolarHBondContact O-CG 3.37Å; N280-K284 PolarHBondContact O-N 3.21Å; E281-K284 WeakPolarHBondContact O-CA 3.48Å; E281-K284 WeakPolarHBondContact O-CB 3.33Å; E281-K284 PolarHBondContact O-N 3.24Å; M282-K284 VanDerWaalsContact C-N 3.25Å; M282-K284 PolarHBondContact O-N 3Å; K284-K286 VanDerWaalsContact C-N 3.3Å; K284-K286 PolarHBondContact O-N 3.46Å; K284-V287 PolarHBondContact O-N 2.88Å; K284-V288 WeakPolarHBondContact O-CG2 3.48Å; K284-V288 PolarHBondContact O-N 2.88Å
285	T	92.1	Very high	91.8	Very high	73 Å²	73	75.2 Å²	75.2	45%	0.448	37%	0.371	S	S	.	.	H	α-helix	trans	-64.5	-35.7	177.5	55.8	0	0	0	0	111.6	L166 E281 M282 V287 V288 L289	L166-T285 WeakPolarHBondContact CD2-OG1 3.35Å; E281-T285 PolarHBondContact O-N 3.23Å; M282-T285 WeakPolarHBondContact CA-OG1 3.5Å; M282-T285 PolarHBondContact O-N 3.43Å; M282-T285 PolarHBondContact O-OG1 3.21Å; M282-T285 VanDerWaalsContact O-OG1 3.05Å; T285-V287 PolarHBondContact O-N 3.26Å; T285-V288 PolarHBondContact O-N 3.29Å; T285-L289 WeakPolarHBondContact O-CB 3.28Å; T285-L289 PolarHBondContact O-N 2.88Å
286	K	92.3	Very high	91.4	Very high	54 Å²	54	76.1 Å²	76.1	24%	0.235	38%	0.375	C	S	.	.	H	α-helix	trans	-59.9	-43.7	172.9	-179.1	168.6	175.5	170.8	0	112.1	L166 T167 I170 M282 K284 L289 M290	L166-K286 HydrophobicContact CD2-CB 3.76Å; L166-K286 HydrophobicContact CG-CB 4.4Å; T167-K286 WeakPolarHBondContact OG1-CE 3.44Å; T167-K286 PolarHBondContact OG1-NZ 3.05Å; I170-K286 HydrophobicContact CD1-CB 4.34Å; I170-K286 HydrophobicContact CD1-CD 4.2Å; M282-K286 WeakPolarHBondContact O-CB 3.46Å; M282-K286 PolarHBondContact O-N 3.45Å; K284-K286 VanDerWaalsContact C-N 3.3Å; K284-K286 PolarHBondContact O-N 3.46Å; K286-L289 PolarHBondContact O-N 3.13Å; K286-M290 HydrophobicContact CG-CG 4.47Å; K286-M290 HydrophobicContact CG-SD 4.33Å; K286-M290 WeakPolarHBondContact O-CB 3.38Å; K286-M290 WeakPolarHBondContact O-CG 3.38Å; K286-M290 PolarHBondContact O-N 3.11Å
287	V	93.4	Very high	90.9	Very high	100 Å²	100	77.8 Å²	77.8	61%	0.606	38%	0.383	S	S	*	.	H	α-helix	trans	-64.9	-39.5	176.5	170.9	0	0	0	0	111.8	K283 K284 T285 K291	K283-V287 WeakPolarHBondContact O-CG2 3.27Å; K283-V287 PolarHBondContact O-N 2.91Å; K284-V287 PolarHBondContact O-N 2.88Å; T285-V287 PolarHBondContact O-N 3.26Å; V287-K291 PolarHBondContact O-N 2.76Å
288	V	92.2	Very high	90.5	Very high	81 Å²	81	80 Å²	80	49%	0.491	39%	0.388	S	S	.	.	H	α-helix	trans	-64.1	-45.5	174.7	173.8	0	0	0	0	111.3	K284 T285 K291 Q292	K284-V288 WeakPolarHBondContact O-CG2 3.48Å; K284-V288 PolarHBondContact O-N 2.88Å; T285-V288 PolarHBondContact O-N 3.29Å; V288-K291 WeakPolarHBondContact O-CB 3.29Å; V288-K291 PolarHBondContact O-N 2.9Å; V288-K291 VanDerWaalsContact O-N 3.17Å; V288-Q292 WeakPolarHBondContact O-CG 3.35Å; V288-Q292 PolarHBondContact O-N 3.26Å
289	L	89.3	Confident	90.1	Very high	24 Å²	24	83.1 Å²	83.1	13%	0.126	40%	0.398	C	S	.	.	H	α-helix	trans	-64.2	-43.5	179.2	-166.4	68.7	0	0	0	111.7	F159 D162 L163 T285 K286 K291 Q292 M293	F159-L289 HydrophobicContact CD1-CD1 3.9Å; F159-L289 HydrophobicContact CE1-CD1 4.4Å; D162-L289 HydrophobicContact CB-CD2 3.9Å; L163-L289 HydrophobicContact CB-CD2 3.85Å; T285-L289 WeakPolarHBondContact O-CB 3.28Å; T285-L289 PolarHBondContact O-N 2.88Å; K286-L289 PolarHBondContact O-N 3.13Å; L289-K291 VanDerWaalsContact C-N 3.26Å; L289-K291 PolarHBondContact O-N 3.07Å; L289-Q292 PolarHBondContact O-N 2.8Å; L289-M293 WeakPolarHBondContact O-CB 3.21Å; L289-M293 PolarHBondContact O-N 2.96Å
290	M	86.5	Confident	89.4	Confident	78 Å²	78	85.8 Å²	85.8	38%	0.384	41%	0.407	S	S	.	.	H	α-helix	trans	-61	-33.6	173.3	-76.5	-173.1	81.3	0	0	112.9	L163 K286 K294	L163-M290 HydrophobicContact CD1-CG 3.45Å; L163-M290 VanDerWaalsContact CD1-CG 3.45Å; L163-M290 HydrophobicContact CD1-SD 4.47Å; K286-M290 HydrophobicContact CG-CG 4.47Å; K286-M290 HydrophobicContact CG-SD 4.33Å; K286-M290 WeakPolarHBondContact O-CB 3.38Å; K286-M290 WeakPolarHBondContact O-CG 3.38Å; K286-M290 PolarHBondContact O-N 3.11Å; M290-K294 WeakPolarHBondContact O-CG 3.49Å; M290-K294 PolarHBondContact O-N 2.91Å
291	K	91.5	Very high	89	Confident	127 Å²	127	89.6 Å²	89.6	55%	0.552	42%	0.415	S	S	*	.	H	α-helix	trans	-69.6	-49.3	174.1	178.1	173.3	169.8	174.1	0	111.1	V287 V288 L289 M293 K294 E295	V287-K291 PolarHBondContact O-N 2.76Å; V288-K291 WeakPolarHBondContact O-CB 3.29Å; V288-K291 PolarHBondContact O-N 2.9Å; V288-K291 VanDerWaalsContact O-N 3.17Å; L289-K291 VanDerWaalsContact C-N 3.26Å; L289-K291 PolarHBondContact O-N 3.07Å; K291-M293 VanDerWaalsContact C-N 3.31Å; K291-M293 PolarHBondContact O-N 3.48Å; K291-K294 PolarHBondContact O-N 3.08Å; K291-K294 VanDerWaalsContact O-N 3.12Å; K291-E295 WeakPolarHBondContact CE-OE1 3.32Å; K291-E295 HydrophobicContact CG-CG 4.37Å; K291-E295 IonicContact NZ-OE1 3.96Å; K291-E295 PolarHBondContact NZ-OE1 3.01Å; K291-E295 WeakPolarHBondContact O-CG 3.29Å; K291-E295 PolarHBondContact O-N 3.03Å
292	Q	87.8	Confident	88.6	Confident	95 Å²	95	89.9 Å²	89.9	44%	0.444	42%	0.418	S	S	.	.	H	α-helix	trans	-58.2	-42.5	178.2	-72	174.2	-37.9	0	0	112.1	V288 L289 K294 E295 E296	V288-Q292 WeakPolarHBondContact O-CG 3.35Å; V288-Q292 PolarHBondContact O-N 3.26Å; L289-Q292 PolarHBondContact O-N 2.8Å; Q292-K294 VanDerWaalsContact C-N 3.34Å; Q292-K294 PolarHBondContact O-N 3.37Å; Q292-E295 PolarHBondContact O-N 3.32Å; Q292-E296 WeakPolarHBondContact O-CB 3.5Å; Q292-E296 PolarHBondContact O-N 3.32Å
293	M	86.8	Confident	88.2	Confident	52 Å²	52	93 Å²	93	26%	0.256	44%	0.438	S	S	.	.	H	α-helix	trans	-60.6	-40.3	176.1	-169.3	-176.4	77.8	0	0	112.4	L289 K291 Q297	L289-M293 WeakPolarHBondContact O-CB 3.21Å; L289-M293 PolarHBondContact O-N 2.96Å; K291-M293 VanDerWaalsContact C-N 3.31Å; K291-M293 PolarHBondContact O-N 3.48Å; M293-Q297 WeakPolarHBondContact O-CB 3.46Å; M293-Q297 PolarHBondContact O-N 3.28Å
294	K	86.6	Confident	87.7	Confident	128 Å²	128	94.5 Å²	94.5	56%	0.557	45%	0.447	S	S	*	.	H	α-helix	trans	-69.2	-42.1	175.4	-75.3	-178.5	176.4	-170.2	0	112.5	M290 K291 Q292 Q297 Q298	M290-K294 WeakPolarHBondContact O-CG 3.49Å; M290-K294 PolarHBondContact O-N 2.91Å; K291-K294 PolarHBondContact O-N 3.08Å; K291-K294 VanDerWaalsContact O-N 3.12Å; Q292-K294 VanDerWaalsContact C-N 3.34Å; Q292-K294 PolarHBondContact O-N 3.37Å; K294-Q297 PolarHBondContact O-N 3.16Å; K294-Q298 WeakPolarHBondContact O-CG 3.2Å; K294-Q298 PolarHBondContact O-N 2.79Å
295	E	88.5	Confident	87.3	Confident	95 Å²	95	89.5 Å²	89.5	44%	0.444	43%	0.432	S	S	.	.	H	α-helix	trans	-63.6	-42.3	178.2	-72.1	175.5	148.6	0	0	111.3	K291 Q292 Q298 R299	K291-E295 WeakPolarHBondContact CE-OE1 3.32Å; K291-E295 HydrophobicContact CG-CG 4.37Å; K291-E295 IonicContact NZ-OE1 3.96Å; K291-E295 PolarHBondContact NZ-OE1 3.01Å; K291-E295 WeakPolarHBondContact O-CG 3.29Å; K291-E295 PolarHBondContact O-N 3.03Å; Q292-E295 PolarHBondContact O-N 3.32Å; E295-Q298 PolarHBondContact O-N 3.09Å; E295-R299 PolarHBondContact O-N 3.45Å
296	E	83.4	Confident	87.2	Confident	39 Å²	39	92.6 Å²	92.6	18%	0.182	44%	0.439	C	S	.	.	H	α-helix	trans	-69.5	-37.4	175.7	-179	52.9	-151.8	0	0	112.4	Q292 Q298 R299 R300	Q292-E296 WeakPolarHBondContact O-CB 3.5Å; Q292-E296 PolarHBondContact O-N 3.32Å; E296-Q298 VanDerWaalsContact C-N 3.34Å; E296-Q298 PolarHBondContact O-N 3.39Å; E296-R299 WeakPolarHBondContact O-CB 3.5Å; E296-R299 PolarHBondContact O-N 2.97Å; E296-R299 IonicContact OE1-CZ 3.19Å; E296-R299 IonicContact OE1-NE 2.88Å; E296-R299 PolarHBondContact OE1-NE 3.21Å; E296-R299 IonicContact OE1-NH2 3.69Å; E296-R299 PolarHBondContact OE1-NH2 3.16Å; E296-R299 IonicContact OE2-CZ 3.91Å; E296-R299 IonicContact OE2-NE 2.71Å; E296-R299 PolarHBondContact OE2-NE 2.97Å; E296-R299 IonicContact OE2-NH2 3.17Å; E296-R300 WeakPolarHBondContact O-CG 3.37Å; E296-R300 PolarHBondContact O-N 3.44Å; E296-R300 WeakPolarHBondContact OE1-CG 3.48Å; E296-R300 IonicContact OE1-CZ 3.59Å; E296-R300 IonicContact OE1-NE 2.69Å; E296-R300 PolarHBondContact OE1-NE 3.07Å; E296-R300 IonicContact OE1-NH2 2.69Å
297	Q	83.4	Confident	87	Confident	102 Å²	102	95.9 Å²	95.9	48%	0.477	45%	0.451	S	S	.	.	H	α-helix	trans	-63	-39	173	-170.4	179.4	18	0	0	112.1	M293 K294 R301	M293-Q297 WeakPolarHBondContact O-CB 3.46Å; M293-Q297 PolarHBondContact O-N 3.28Å; K294-Q297 PolarHBondContact O-N 3.16Å; Q297-R301 PolarHBondContact O-N 2.75Å; Q297-R301 VanDerWaalsContact O-N 3.17Å
298	Q	86	Confident	86.6	Confident	124 Å²	124	95.5 Å²	95.5	58%	0.579	45%	0.445	S	S	*	.	H	α-helix	trans	-66	-41.1	172	-75.2	179.4	-30.4	0	0	111.8	K294 E295 E296 R300 R301 M302	K294-Q298 WeakPolarHBondContact O-CG 3.2Å; K294-Q298 PolarHBondContact O-N 2.79Å; E295-Q298 PolarHBondContact O-N 3.09Å; E296-Q298 VanDerWaalsContact C-N 3.34Å; E296-Q298 PolarHBondContact O-N 3.39Å; Q298-R300 PolarHBondContact O-N 3.34Å; Q298-R301 PolarHBondContact O-N 2.93Å; Q298-M302 PolarHBondContact O-N 3.44Å; Q298-M302 VanDerWaalsContact O-N 3.1Å
299	R	86.5	Confident	86.6	Confident	113 Å²	113	100.5 Å²	100.5	43%	0.426	46%	0.455	S	S	.	.	H	α-helix	trans	-59.5	-45	175.8	-164.7	-171.5	70.3	84.6	1.4	111.7	E295 E296 M302 V303	E295-R299 PolarHBondContact O-N 3.45Å; E296-R299 WeakPolarHBondContact O-CB 3.5Å; E296-R299 PolarHBondContact O-N 2.97Å; E296-R299 IonicContact OE1-CZ 3.19Å; E296-R299 IonicContact OE1-NE 2.88Å; E296-R299 PolarHBondContact OE1-NE 3.21Å; E296-R299 IonicContact OE1-NH2 3.69Å; E296-R299 PolarHBondContact OE1-NH2 3.16Å; E296-R299 IonicContact OE2-CZ 3.91Å; E296-R299 IonicContact OE2-NE 2.71Å; E296-R299 PolarHBondContact OE2-NE 2.97Å; E296-R299 IonicContact OE2-NH2 3.17Å; R299-M302 PolarHBondContact O-N 2.96Å; R299-V303 WeakPolarHBondContact O-CG2 3.45Å; R299-V303 PolarHBondContact O-N 2.84Å; R299-V303 VanDerWaalsContact O-N 3.08Å
300	R	81.4	Confident	86.6	Confident	58 Å²	58	104.7 Å²	104.7	22%	0.219	47%	0.474	C	S	.	.	H	α-helix	trans	-61.4	-48.2	177.8	-72.4	174	178.3	-134.7	2.7	111.8	D152 E155 E296 Q298 M302 V303 E304	D152-R300 PolarHBondContact O-NH1 2.83Å; D152-R300 PolarHBondContact O-NH2 3.35Å; E155-R300 IonicContact OE2-NH2 3.75Å; E296-R300 WeakPolarHBondContact O-CG 3.37Å; E296-R300 PolarHBondContact O-N 3.44Å; E296-R300 WeakPolarHBondContact OE1-CG 3.48Å; E296-R300 IonicContact OE1-CZ 3.59Å; E296-R300 IonicContact OE1-NE 2.69Å; E296-R300 PolarHBondContact OE1-NE 3.07Å; E296-R300 IonicContact OE1-NH2 2.69Å; Q298-R300 PolarHBondContact O-N 3.34Å; R300-M302 VanDerWaalsContact C-N 3.28Å; R300-M302 PolarHBondContact O-N 3.46Å; R300-V303 PolarHBondContact O-N 2.97Å; R300-E304 WeakPolarHBondContact O-CB 3.45Å; R300-E304 PolarHBondContact O-N 3.03Å
301	R	84.7	Confident	86.6	Confident	162 Å²	162	104.4 Å²	104.4	61%	0.611	47%	0.473	S	S	*	.	H	α-helix	trans	-55.2	-39.2	173.9	-75.2	177.6	171.4	179.2	-3.3	113.1	Q297 Q298 A305	Q297-R301 PolarHBondContact O-N 2.75Å; Q297-R301 VanDerWaalsContact O-N 3.17Å; Q298-R301 PolarHBondContact O-N 2.93Å; R301-A305 VanDerWaalsContact O-CB 3.27Å; R301-A305 WeakPolarHBondContact O-CB 3.44Å; R301-A305 PolarHBondContact O-N 2.71Å
302	M	85.5	Confident	86.4	Confident	133 Å²	133	101.1 Å²	101.1	66%	0.655	47%	0.47	S	S	*	.	H	α-helix	trans	-69.7	-34.8	176.5	-72.8	-172.2	-74.4	0	0	113.5	Q298 R299 R300 K306	Q298-M302 PolarHBondContact O-N 3.44Å; Q298-M302 VanDerWaalsContact O-N 3.1Å; R299-M302 PolarHBondContact O-N 2.96Å; R300-M302 VanDerWaalsContact C-N 3.28Å; R300-M302 PolarHBondContact O-N 3.46Å; M302-K306 PolarHBondContact O-N 3.49Å
303	V	85.6	Confident	86.6	Confident	83 Å²	83	103 Å²	103	50%	0.503	48%	0.478	S	S	.	.	H	α-helix	trans	-70.7	-43.7	175.4	172.1	0	0	0	0	110.9	R299 R300 K306 R307	R299-V303 WeakPolarHBondContact O-CG2 3.45Å; R299-V303 PolarHBondContact O-N 2.84Å; R299-V303 VanDerWaalsContact O-N 3.08Å; R300-V303 PolarHBondContact O-N 2.97Å; V303-K306 WeakPolarHBondContact O-CB 3.35Å; V303-K306 PolarHBondContact O-N 3.08Å; V303-K306 VanDerWaalsContact O-N 3.15Å; V303-R307 PolarHBondContact O-N 3.13Å
304	E	82.6	Confident	86.7	Confident	118 Å²	118	105.4 Å²	105.4	55%	0.551	49%	0.492	S	S	*	.	H	α-helix	trans	-62	-49.2	176.9	-176.3	173.7	-154.3	0	0	111.8	R300 K306 R307 N308	R300-E304 WeakPolarHBondContact O-CB 3.45Å; R300-E304 PolarHBondContact O-N 3.03Å; E304-K306 PolarHBondContact O-N 3.43Å; E304-K306 VanDerWaalsContact O-N 3.16Å; E304-R307 PolarHBondContact O-N 3.3Å; E304-N308 PolarHBondContact O-N 3.3Å; E304-N308 PolarHBondContact O-OD1 3.4Å
305	A	87.4	Confident	86.7	Confident	40 Å²	40	104.4 Å²	104.4	33%	0.331	49%	0.488	S	S	.	.	H	α-helix	trans	-59.3	-28.1	173.5	0	0	0	0	0	112.9	R301 R309	R301-A305 VanDerWaalsContact O-CB 3.27Å; R301-A305 WeakPolarHBondContact O-CB 3.44Å; R301-A305 PolarHBondContact O-N 2.71Å; A305-R309 WeakPolarHBondContact O-CD 3.39Å; A305-R309 VanDerWaalsContact O-CG 3.24Å; A305-R309 WeakPolarHBondContact O-CG 3.4Å; A305-R309 PolarHBondContact O-N 2.83Å
306	K	90.8	Very high	86.9	Confident	138 Å²	138	106.2 Å²	106.2	60%	0.6	49%	0.494	S	S	*	.	H	α-helix	trans	-74.2	-46.4	172	-169.2	-168.5	172.5	-161.3	0	111.7	M302 V303 E304 N308 R309 E310	M302-K306 PolarHBondContact O-N 3.49Å; V303-K306 WeakPolarHBondContact O-CB 3.35Å; V303-K306 PolarHBondContact O-N 3.08Å; V303-K306 VanDerWaalsContact O-N 3.15Å; E304-K306 PolarHBondContact O-N 3.43Å; E304-K306 VanDerWaalsContact O-N 3.16Å; K306-N308 VanDerWaalsContact C-N 3.29Å; K306-N308 PolarHBondContact O-N 3.01Å; K306-R309 PolarHBondContact O-N 2.81Å; K306-E310 PolarHBondContact O-N 2.87Å; K306-E310 VanDerWaalsContact O-N 3.08Å
307	R	86.5	Confident	87.2	Confident	124 Å²	124	108.8 Å²	108.8	47%	0.468	51%	0.506	S	S	.	.	H	α-helix	trans	-56.6	-43	176.3	-175.8	175.5	177.9	160.6	-0.6	110.9	V303 E304 R309 E310 I311	V303-R307 PolarHBondContact O-N 3.13Å; E304-R307 PolarHBondContact O-N 3.3Å; R307-R309 PolarHBondContact O-N 2.98Å; R307-E310 WeakPolarHBondContact O-CB 3.36Å; R307-E310 PolarHBondContact O-N 3.21Å; R307-I311 HydrophobicContact CG-CD1 3.91Å; R307-I311 WeakPolarHBondContact O-CG1 3.34Å; R307-I311 PolarHBondContact O-N 3.1Å
308	N	85.2	Confident	87.6	Confident	91 Å²	91	108.9 Å²	108.9	49%	0.487	51%	0.506	S	S	.	.	H	α-helix	trans	-68.5	-35.6	-179.1	-65.9	0.3	0	0	0	112.6	E304 K306 A312	E304-N308 PolarHBondContact O-N 3.3Å; E304-N308 PolarHBondContact O-OD1 3.4Å; K306-N308 VanDerWaalsContact C-N 3.29Å; K306-N308 PolarHBondContact O-N 3.01Å; N308-A312 WeakPolarHBondContact O-CB 3.24Å; N308-A312 PolarHBondContact O-N 2.81Å
309	R	92.1	Very high	87.8	Confident	187 Å²	187	111.4 Å²	111.4	71%	0.706	51%	0.51	S	S	*	.	H	α-helix	trans	-64.8	-39.4	171.7	-71	165.6	-173.2	172.8	1.4	112.1	A305 K306 R307 A312 Q313	A305-R309 WeakPolarHBondContact O-CD 3.39Å; A305-R309 VanDerWaalsContact O-CG 3.24Å; A305-R309 WeakPolarHBondContact O-CG 3.4Å; A305-R309 PolarHBondContact O-N 2.83Å; K306-R309 PolarHBondContact O-N 2.81Å; R307-R309 PolarHBondContact O-N 2.98Å; R309-A312 PolarHBondContact O-N 3.26Å; R309-Q313 PolarHBondContact O-N 3.11Å
310	E	89.4	Confident	88	Confident	112 Å²	112	114.1 Å²	114.1	52%	0.523	52%	0.521	S	S	.	.	H	α-helix	trans	-67.3	-44.2	177.2	-168.9	163.2	-176.9	0	0	111.3	K306 R307 A312 Q313 L314	K306-E310 PolarHBondContact O-N 2.87Å; K306-E310 VanDerWaalsContact O-N 3.08Å; R307-E310 WeakPolarHBondContact O-CB 3.36Å; R307-E310 PolarHBondContact O-N 3.21Å; E310-A312 PolarHBondContact O-N 3.02Å; E310-Q313 PolarHBondContact O-N 2.82Å; E310-L314 WeakPolarHBondContact O-CG 3.38Å; E310-L314 PolarHBondContact O-N 2.95Å
311	I	86.8	Confident	88.3	Confident	72 Å²	72	116.5 Å²	116.5	37%	0.369	53%	0.534	S	S	.	.	H	α-helix	trans	-60.2	-44.2	172.1	-67.7	166	0	0	0	111.3	R307 Q313 L314 K315	R307-I311 HydrophobicContact CG-CD1 3.91Å; R307-I311 WeakPolarHBondContact O-CG1 3.34Å; R307-I311 PolarHBondContact O-N 3.1Å; I311-Q313 VanDerWaalsContact C-N 3.32Å; I311-Q313 PolarHBondContact O-N 3.4Å; I311-L314 PolarHBondContact O-N 3.2Å; I311-K315 HydrophobicContact CG2-CD 4.48Å; I311-K315 HydrophobicContact CG2-CG 4.44Å; I311-K315 PolarHBondContact O-N 3.45Å
312	A	88.1	Confident	88.5	Confident	57 Å²	57	111.7 Å²	111.7	47%	0.471	52%	0.519	S	S	.	.	H	α-helix	trans	-63	-37.2	177.3	0	0	0	0	0	112.5	N308 R309 E310 K316	N308-A312 WeakPolarHBondContact O-CB 3.24Å; N308-A312 PolarHBondContact O-N 2.81Å; R309-A312 PolarHBondContact O-N 3.26Å; E310-A312 PolarHBondContact O-N 3.02Å; A312-K316 VanDerWaalsContact O-CB 3.31Å; A312-K316 WeakPolarHBondContact O-CB 3.39Å; A312-K316 PolarHBondContact O-N 3.34Å
313	Q	90.9	Very high	88.9	Confident	134 Å²	134	114 Å²	114	63%	0.626	52%	0.521	S	S	*	.	H	α-helix	trans	-65.4	-44.3	172.8	-177.9	173.5	-23.6	0	0	111.5	R309 E310 I311 K316 E317	R309-Q313 PolarHBondContact O-N 3.11Å; E310-Q313 PolarHBondContact O-N 2.82Å; I311-Q313 VanDerWaalsContact C-N 3.32Å; I311-Q313 PolarHBondContact O-N 3.4Å; Q313-K316 WeakPolarHBondContact O-CB 3.16Å; Q313-K316 PolarHBondContact O-N 3.04Å; Q313-E317 PolarHBondContact O-N 2.98Å
314	L	89.1	Confident	89	Confident	104 Å²	104	116.2 Å²	116.2	55%	0.545	53%	0.526	S	S	.	.	H	α-helix	trans	-64.4	-46.8	177.3	-68.5	169.2	0	0	0	112	E310 I311 K316 E317 Q318	E310-L314 WeakPolarHBondContact O-CG 3.38Å; E310-L314 PolarHBondContact O-N 2.95Å; I311-L314 PolarHBondContact O-N 3.2Å; L314-K316 PolarHBondContact O-N 2.9Å; L314-E317 PolarHBondContact O-N 3.11Å; L314-Q318 WeakPolarHBondContact O-CB 3.43Å; L314-Q318 PolarHBondContact O-N 2.7Å
315	K	87.3	Confident	89.3	Confident	107 Å²	107	115 Å²	115	47%	0.465	52%	0.523	S	S	.	.	H	α-helix	trans	-61.1	-25.8	172.9	-73.8	-166.3	174.2	-169	0	112.6	I311 R319	I311-K315 HydrophobicContact CG2-CD 4.48Å; I311-K315 HydrophobicContact CG2-CG 4.44Å; I311-K315 PolarHBondContact O-N 3.45Å; K315-R319 WeakPolarHBondContact O-CG 3.28Å; K315-R319 PolarHBondContact O-N 3.19Å; K315-R319 PolarHBondContact O-NE 2.84Å
316	K	92.8	Very high	89.5	Confident	132 Å²	132	121 Å²	121	57%	0.574	54%	0.537	S	S	*	.	H	α-helix	trans	-78.5	-31.3	173.3	-171.8	170.9	-174.2	167.7	0	112.7	A312 Q313 L314	A312-K316 VanDerWaalsContact O-CB 3.31Å; A312-K316 WeakPolarHBondContact O-CB 3.39Å; A312-K316 PolarHBondContact O-N 3.34Å; Q313-K316 WeakPolarHBondContact O-CB 3.16Å; Q313-K316 PolarHBondContact O-N 3.04Å; L314-K316 PolarHBondContact O-N 2.9Å
317	E	90.4	Very high	89.4	Confident	93 Å²	93	117 Å²	117	44%	0.435	53%	0.529	S	S	.	.	H	α-helix	trans	-80	-40.2	176	-173.1	148.6	-158.6	0	0	112.4	Q313 L314 R319 R320 Q321	Q313-E317 PolarHBondContact O-N 2.98Å; L314-E317 PolarHBondContact O-N 3.11Å; E317-R319 PolarHBondContact O-N 2.87Å; E317-R320 WeakPolarHBondContact O-CB 3.28Å; E317-R320 PolarHBondContact O-N 2.92Å; E317-R320 VanDerWaalsContact O-N 3.07Å; E317-Q321 PolarHBondContact O-N 2.9Å
318	Q	91.4	Very high	89.6	Confident	105 Å²	105	116 Å²	116	49%	0.491	53%	0.533	S	S	.	.	H	α-helix	trans	-53	-51.1	170.6	179.2	-174.5	-18.9	0	0	111.5	L314 R320 Q321 E322	L314-Q318 WeakPolarHBondContact O-CB 3.43Å; L314-Q318 PolarHBondContact O-N 2.7Å; Q318-R320 PolarHBondContact O-N 3.39Å; Q318-R320 VanDerWaalsContact O-N 3.16Å; Q318-Q321 PolarHBondContact O-N 2.81Å; Q318-E322 HydrophobicContact CG-CG 4.49Å; Q318-E322 WeakPolarHBondContact CG-OE1 3.4Å; Q318-E322 PolarHBondContact NE2-OE1 2.94Å; Q318-E322 PolarHBondContact O-N 2.98Å
319	R	89.9	Confident	89.7	Confident	176 Å²	176	115.7 Å²	115.7	66%	0.664	53%	0.528	S	S	*	.	H	α-helix	trans	-57.7	-30.3	178.1	-77.1	-173.2	-76.6	-179.6	-5.4	113.4	K315 E317 Y323	K315-R319 WeakPolarHBondContact O-CG 3.28Å; K315-R319 PolarHBondContact O-N 3.19Å; K315-R319 PolarHBondContact O-NE 2.84Å; E317-R319 PolarHBondContact O-N 2.87Å; R319-Y323 WeakPolarHBondContact O-CB 3.42Å; R319-Y323 PolarHBondContact O-N 2.75Å
320	R	90.8	Very high	89.5	Confident	171 Å²	171	109.7 Å²	109.7	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-72.3	-43.4	173.1	-70.5	170.9	164.7	-176.7	-5.8	112.1	E317 Q318 Y323 Q324	E317-R320 WeakPolarHBondContact O-CB 3.28Å; E317-R320 PolarHBondContact O-N 2.92Å; E317-R320 VanDerWaalsContact O-N 3.07Å; Q318-R320 PolarHBondContact O-N 3.39Å; Q318-R320 VanDerWaalsContact O-N 3.16Å; R320-Y323 PolarHBondContact O-N 3.18Å; R320-Q324 PolarHBondContact O-N 3.07Å; R320-Q324 VanDerWaalsContact O-N 3.11Å
321	Q	88.4	Confident	89.4	Confident	107 Å²	107	109.4 Å²	109.4	50%	0.5	51%	0.514	S	S	.	.	H	α-helix	trans	-65	-43.9	178.1	-65.2	180	16.5	0	0	111.3	E317 Q318 Y323 Q324 I325	E317-Q321 PolarHBondContact O-N 2.9Å; Q318-Q321 PolarHBondContact O-N 2.81Å; Q321-Y323 PolarHBondContact O-N 2.87Å; Q321-Q324 WeakPolarHBondContact O-CB 3.47Å; Q321-Q324 PolarHBondContact O-N 2.88Å; Q321-I325 WeakPolarHBondContact O-CG1 3.26Å; Q321-I325 PolarHBondContact O-N 2.86Å
322	E	87.9	Confident	89.7	Confident	62 Å²	62	111.8 Å²	111.8	29%	0.29	52%	0.521	S	S	.	.	H	α-helix	trans	-59.5	-44.5	174.1	-77.1	-174.3	-136.9	0	0	112.8	Q318 Q324 I325 R326	Q318-E322 HydrophobicContact CG-CG 4.49Å; Q318-E322 WeakPolarHBondContact CG-OE1 3.4Å; Q318-E322 PolarHBondContact NE2-OE1 2.94Å; Q318-E322 PolarHBondContact O-N 2.98Å; E322-Q324 VanDerWaalsContact C-N 3.28Å; E322-Q324 PolarHBondContact O-N 2.93Å; E322-I325 PolarHBondContact O-N 2.9Å; E322-R326 VanDerWaalsContact O-CG 3.3Å; E322-R326 WeakPolarHBondContact O-CG 3.29Å; E322-R326 PolarHBondContact O-N 2.89Å; E322-R326 IonicContact OE2-CZ 2.76Å; E322-R326 IonicContact OE2-NE 3.01Å; E322-R326 IonicContact OE2-NH2 3.5Å; E322-R326 PolarHBondContact OE2-NH2 2.94Å
323	Y	93.1	Very high	89.7	Confident	180 Å²	180	116.5 Å²	116.5	71%	0.706	53%	0.527	S	S	*	.	H	α-helix	trans	-58.2	-43	175.6	179.7	-91.8	0	0	0	111.4	R319 R320 Q321 R326 A327	R319-Y323 WeakPolarHBondContact O-CB 3.42Å; R319-Y323 PolarHBondContact O-N 2.75Å; R320-Y323 PolarHBondContact O-N 3.18Å; Q321-Y323 PolarHBondContact O-N 2.87Å; Y323-R326 PolarHBondContact O-N 3.13Å; Y323-A327 WeakPolarHBondContact O-CB 3.42Å; Y323-A327 PolarHBondContact O-N 2.71Å
324	Q	88.6	Confident	89.4	Confident	130 Å²	130	116 Å²	116	61%	0.607	53%	0.525	S	S	*	.	H	α-helix	trans	-65.6	-38.4	177.3	-167.9	171.7	7.8	0	0	112.5	R320 Q321 E322 A327 L328	R320-Q324 PolarHBondContact O-N 3.07Å; R320-Q324 VanDerWaalsContact O-N 3.11Å; Q321-Q324 WeakPolarHBondContact O-CB 3.47Å; Q321-Q324 PolarHBondContact O-N 2.88Å; E322-Q324 VanDerWaalsContact C-N 3.28Å; E322-Q324 PolarHBondContact O-N 2.93Å; Q324-A327 PolarHBondContact O-N 3.17Å; Q324-L328 WeakPolarHBondContact O-CG 3.32Å; Q324-L328 PolarHBondContact O-N 3.47Å; Q324-L328 VanDerWaalsContact O-N 3.13Å
325	I	88.5	Confident	89.3	Confident	94 Å²	94	116.9 Å²	116.9	48%	0.482	53%	0.526	S	S	.	.	H	α-helix	trans	-64.1	-49.8	173.6	-68.1	163.8	0	0	0	110.6	Q321 E322 A327 L328 E329	Q321-I325 WeakPolarHBondContact O-CG1 3.26Å; Q321-I325 PolarHBondContact O-N 2.86Å; E322-I325 PolarHBondContact O-N 2.9Å; I325-A327 VanDerWaalsContact C-N 3.26Å; I325-A327 PolarHBondContact O-N 2.85Å; I325-L328 PolarHBondContact O-N 3.43Å; I325-L328 VanDerWaalsContact O-N 3.13Å; I325-E329 HydrophobicContact CG2-CG 4.46Å; I325-E329 PolarHBondContact O-N 3.44Å
326	R	90.9	Very high	89.3	Confident	165 Å²	165	115.5 Å²	115.5	62%	0.623	52%	0.521	S	S	*	.	H	α-helix	trans	-58.9	-36.7	178.9	-66.9	175.1	-158.6	-149.6	8.7	111.8	E322 Y323 S330	E322-R326 VanDerWaalsContact O-CG 3.3Å; E322-R326 WeakPolarHBondContact O-CG 3.29Å; E322-R326 PolarHBondContact O-N 2.89Å; E322-R326 IonicContact OE2-CZ 2.76Å; E322-R326 IonicContact OE2-NE 3.01Å; E322-R326 IonicContact OE2-NH2 3.5Å; E322-R326 PolarHBondContact OE2-NH2 2.94Å; Y323-R326 PolarHBondContact O-N 3.13Å; R326-S330 WeakPolarHBondContact O-CB 3.49Å; R326-S330 PolarHBondContact O-N 2.8Å
327	A	89.6	Confident	89.1	Confident	53 Å²	53	114 Å²	114	44%	0.438	52%	0.519	S	S	.	.	H	α-helix	trans	-65.3	-46.6	174.3	0	0	0	0	0	112.8	Y323 Q324 I325 S330 Q331	Y323-A327 WeakPolarHBondContact O-CB 3.42Å; Y323-A327 PolarHBondContact O-N 2.71Å; Q324-A327 PolarHBondContact O-N 3.17Å; I325-A327 VanDerWaalsContact C-N 3.26Å; I325-A327 PolarHBondContact O-N 2.85Å; A327-S330 WeakPolarHBondContact O-CB 3.34Å; A327-S330 PolarHBondContact O-N 3.38Å; A327-Q331 PolarHBondContact O-N 3.31Å; A327-Q331 VanDerWaalsContact O-N 3.11Å
328	L	90.7	Very high	89	Confident	103 Å²	103	113.9 Å²	113.9	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-65.4	-38.6	177	-70	168.7	0	0	0	112.2	Q324 I325 Q331 K332	Q324-L328 WeakPolarHBondContact O-CG 3.32Å; Q324-L328 PolarHBondContact O-N 3.47Å; Q324-L328 VanDerWaalsContact O-N 3.13Å; I325-L328 PolarHBondContact O-N 3.43Å; I325-L328 VanDerWaalsContact O-N 3.13Å; L328-Q331 PolarHBondContact O-N 3.09Å; L328-K332 PolarHBondContact O-N 2.94Å
329	E	87.5	Confident	88.7	Confident	85 Å²	85	114.7 Å²	114.7	40%	0.397	53%	0.532	S	S	.	.	H	α-helix	trans	-63.3	-42.5	173	-79.1	-161.7	-164.6	0	0	112.6	I325 Q331 K332 R333	I325-E329 HydrophobicContact CG2-CG 4.46Å; I325-E329 PolarHBondContact O-N 3.44Å; E329-Q331 VanDerWaalsContact C-N 3.3Å; E329-Q331 PolarHBondContact O-N 3.12Å; E329-K332 WeakPolarHBondContact O-CB 3.42Å; E329-K332 PolarHBondContact O-N 3.44Å; E329-R333 VanDerWaalsContact O-CG 3.27Å; E329-R333 WeakPolarHBondContact O-CG 3.35Å; E329-R333 PolarHBondContact O-N 3.34Å; E329-R333 IonicContact OE2-CZ 3.09Å; E329-R333 IonicContact OE2-NE 2.65Å; E329-R333 IonicContact OE2-NH2 2.81Å; E329-R333 PolarHBondContact OE2-NH2 2.93Å
330	S	88.7	Confident	88.5	Confident	61 Å²	61	114.3 Å²	114.3	43%	0.427	53%	0.53	S	S	.	.	H	α-helix	trans	-58.2	-45	175.6	-172.6	0	0	0	0	110.9	R326 A327 K332 R333 Q334	R326-S330 WeakPolarHBondContact O-CB 3.49Å; R326-S330 PolarHBondContact O-N 2.8Å; A327-S330 WeakPolarHBondContact O-CB 3.34Å; A327-S330 PolarHBondContact O-N 3.38Å; S330-K332 PolarHBondContact O-N 3.26Å; S330-R333 PolarHBondContact O-N 2.9Å; S330-Q334 WeakPolarHBondContact O-CG 3.35Å; S330-Q334 PolarHBondContact O-N 2.92Å
331	Q	87.3	Confident	88.3	Confident	107 Å²	107	114 Å²	114	50%	0.5	53%	0.529	S	S	.	.	H	α-helix	trans	-60.8	-42.6	174.7	-165.9	-178.8	27.9	0	0	112.3	A327 L328 E329 Q334 Q335	A327-Q331 PolarHBondContact O-N 3.31Å; A327-Q331 VanDerWaalsContact O-N 3.11Å; L328-Q331 PolarHBondContact O-N 3.09Å; E329-Q331 VanDerWaalsContact C-N 3.3Å; E329-Q331 PolarHBondContact O-N 3.12Å; Q331-Q334 PolarHBondContact O-N 2.78Å; Q331-Q335 WeakPolarHBondContact O-CG 3.38Å; Q331-Q335 PolarHBondContact O-N 3.08Å
332	K	92.4	Very high	88.2	Confident	121 Å²	121	114.2 Å²	114.2	53%	0.526	53%	0.528	S	S	.	.	H	α-helix	trans	-62.3	-45.8	174.8	-174.6	-179.9	-176.9	-87.9	0	112.1	L328 E329 S330 Q334 Q335 E336	L328-K332 PolarHBondContact O-N 2.94Å; E329-K332 WeakPolarHBondContact O-CB 3.42Å; E329-K332 PolarHBondContact O-N 3.44Å; S330-K332 PolarHBondContact O-N 3.26Å; K332-Q334 VanDerWaalsContact C-N 3.31Å; K332-Q334 PolarHBondContact O-N 3.24Å; K332-Q335 WeakPolarHBondContact O-CB 3.34Å; K332-Q335 PolarHBondContact O-N 3.02Å; K332-Q335 VanDerWaalsContact O-N 3.15Å; K332-E336 IonicContact NZ-OE1 3.49Å; K332-E336 PolarHBondContact NZ-OE1 2.88Å; K332-E336 PolarHBondContact O-N 3.28Å
333	R	87.9	Confident	88	Confident	156 Å²	156	115.2 Å²	115.2	59%	0.589	54%	0.539	S	S	*	.	H	α-helix	trans	-61.7	-37.3	177.9	-68	171.6	-163.2	-160	6.7	111.6	E329 S330 L337	E329-R333 VanDerWaalsContact O-CG 3.27Å; E329-R333 WeakPolarHBondContact O-CG 3.35Å; E329-R333 PolarHBondContact O-N 3.34Å; E329-R333 IonicContact OE2-CZ 3.09Å; E329-R333 IonicContact OE2-NE 2.65Å; E329-R333 IonicContact OE2-NH2 2.81Å; E329-R333 PolarHBondContact OE2-NH2 2.93Å; S330-R333 PolarHBondContact O-N 2.9Å; R333-L337 WeakPolarHBondContact O-CB 3.12Å; R333-L337 PolarHBondContact O-N 2.88Å
334	Q	84.5	Confident	87.4	Confident	124 Å²	124	112.7 Å²	112.7	58%	0.579	53%	0.534	S	S	*	.	H	α-helix	trans	-64.2	-44.9	172.1	-71	178	6.3	0	0	112.2	S330 Q331 K332 L337 V338	S330-Q334 WeakPolarHBondContact O-CG 3.35Å; S330-Q334 PolarHBondContact O-N 2.92Å; Q331-Q334 PolarHBondContact O-N 2.78Å; K332-Q334 VanDerWaalsContact C-N 3.31Å; K332-Q334 PolarHBondContact O-N 3.24Å; Q334-L337 WeakPolarHBondContact O-CB 3.38Å; Q334-L337 PolarHBondContact O-N 3.16Å; Q334-V338 WeakPolarHBondContact O-CG2 3.45Å; Q334-V338 PolarHBondContact O-N 3.46Å
335	Q	87.3	Confident	87	Confident	122 Å²	122	110.9 Å²	110.9	57%	0.57	53%	0.525	S	S	*	.	H	α-helix	trans	-61.4	-44.1	175.8	-69.5	173.6	7.6	0	0	111.8	Q331 K332 L337 V338 L339	Q331-Q335 WeakPolarHBondContact O-CG 3.38Å; Q331-Q335 PolarHBondContact O-N 3.08Å; K332-Q335 WeakPolarHBondContact O-CB 3.34Å; K332-Q335 PolarHBondContact O-N 3.02Å; K332-Q335 VanDerWaalsContact O-N 3.15Å; Q335-L337 VanDerWaalsContact C-N 3.33Å; Q335-L337 PolarHBondContact O-N 3.04Å; Q335-V338 PolarHBondContact O-N 3.38Å; Q335-L339 WeakPolarHBondContact O-CB 3.47Å; Q335-L339 PolarHBondContact O-N 3.36Å
336	E	87.1	Confident	86.5	Confident	78 Å²	78	109.8 Å²	109.8	36%	0.364	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-36.7	175.3	-73.1	-178.2	-156.6	0	0	112.6	K332 L339 R340	K332-E336 IonicContact NZ-OE1 3.49Å; K332-E336 PolarHBondContact NZ-OE1 2.88Å; K332-E336 PolarHBondContact O-N 3.28Å; E336-L339 PolarHBondContact O-N 2.92Å; E336-R340 WeakPolarHBondContact O-CB 3.23Å; E336-R340 WeakPolarHBondContact O-CG 3.38Å; E336-R340 PolarHBondContact O-N 3.34Å
337	L	87.4	Confident	85.8	Confident	100 Å²	100	104.5 Å²	104.5	52%	0.524	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-42.4	173.9	-98.8	165.2	0	0	0	112.6	R333 Q334 Q335 R340 R341	R333-L337 WeakPolarHBondContact O-CB 3.12Å; R333-L337 PolarHBondContact O-N 2.88Å; Q334-L337 WeakPolarHBondContact O-CB 3.38Å; Q334-L337 PolarHBondContact O-N 3.16Å; Q335-L337 VanDerWaalsContact C-N 3.33Å; Q335-L337 PolarHBondContact O-N 3.04Å; L337-R340 PolarHBondContact O-N 3.36Å; L337-R341 WeakPolarHBondContact O-CG 3.44Å; L337-R341 PolarHBondContact O-N 2.62Å
338	V	88.4	Confident	85	Confident	91 Å²	91	104.3 Å²	104.3	55%	0.552	51%	0.507	S	S	*	.	H	α-helix	trans	-63	-43.8	173.7	173.6	0	0	0	0	110.6	Q334 Q335 R340 R341 K342	Q334-V338 WeakPolarHBondContact O-CG2 3.45Å; Q334-V338 PolarHBondContact O-N 3.46Å; Q335-V338 PolarHBondContact O-N 3.38Å; V338-R340 PolarHBondContact O-N 2.82Å; V338-R341 PolarHBondContact O-N 2.85Å; V338-K342 WeakPolarHBondContact O-CG 3.3Å; V338-K342 PolarHBondContact O-N 3.2Å
339	L	86.6	Confident	84	Confident	123 Å²	123	105.6 Å²	105.6	64%	0.644	51%	0.514	S	S	*	.	H	α-helix	trans	-63.2	-41.6	178	-151.1	78.6	0	0	0	111.9	Q335 E336 K342 T343	Q335-L339 WeakPolarHBondContact O-CB 3.47Å; Q335-L339 PolarHBondContact O-N 3.36Å; E336-L339 PolarHBondContact O-N 2.92Å; L339-K342 PolarHBondContact O-N 2.89Å; L339-T343 WeakPolarHBondContact O-CB 3.46Å; L339-T343 PolarHBondContact O-N 3.24Å; L339-T343 PolarHBondContact O-OG1 3.21Å
340	R	85.8	Confident	83.1	Confident	168 Å²	168	110.7 Å²	110.7	63%	0.634	53%	0.529	S	S	*	.	H	α-helix	trans	-62.8	-45.7	174.2	-77.5	-179.1	-178.3	-159.1	2.6	111.8	E336 L337 V338 T343 Q344	E336-R340 WeakPolarHBondContact O-CB 3.23Å; E336-R340 WeakPolarHBondContact O-CG 3.38Å; E336-R340 PolarHBondContact O-N 3.34Å; L337-R340 PolarHBondContact O-N 3.36Å; V338-R340 PolarHBondContact O-N 2.82Å; R340-T343 PolarHBondContact O-N 3.17Å; R340-Q344 WeakPolarHBondContact O-CB 3.22Å; R340-Q344 WeakPolarHBondContact O-CG 3.26Å; R340-Q344 PolarHBondContact O-N 2.99Å
341	R	85.8	Confident	81.7	Confident	164 Å²	164	117.7 Å²	117.7	62%	0.619	55%	0.546	S	S	*	.	H	α-helix	trans	-59	-47.8	175.5	-75.4	179.1	178.4	176.7	0.5	111.5	L337 V338 T343 Q344 E345	L337-R341 WeakPolarHBondContact O-CG 3.44Å; L337-R341 PolarHBondContact O-N 2.62Å; V338-R341 PolarHBondContact O-N 2.85Å; R341-T343 VanDerWaalsContact C-N 3.32Å; R341-T343 PolarHBondContact O-N 2.99Å; R341-Q344 PolarHBondContact O-N 2.94Å; R341-Q344 VanDerWaalsContact O-N 3.16Å; R341-E345 WeakPolarHBondContact O-CG 3.35Å; R341-E345 PolarHBondContact O-N 3.09Å
342	K	86.5	Confident	80.2	Confident	111 Å²	111	120.7 Å²	120.7	48%	0.483	56%	0.562	S	S	.	*	H	α-helix	trans	-61.8	-37.5	176	-70.1	-72.2	154.3	-142.8	0	112.7	V338 L339 E345 V346	V338-K342 WeakPolarHBondContact O-CG 3.3Å; V338-K342 PolarHBondContact O-N 3.2Å; L339-K342 PolarHBondContact O-N 2.89Å; K342-E345 WeakPolarHBondContact CD-OE2 3.17Å; K342-E345 IonicContact NZ-OE1 2.86Å; K342-E345 PolarHBondContact NZ-OE1 3.27Å; K342-E345 IonicContact NZ-OE2 2.65Å; K342-E345 PolarHBondContact NZ-OE2 2.89Å; K342-V346 WeakPolarHBondContact O-CG2 3.3Å; K342-V346 PolarHBondContact O-N 3.49Å; K342-V346 VanDerWaalsContact O-N 3.07Å
343	T	82.9	Confident	77.9	Confident	83 Å²	83	118.2 Å²	118.2	51%	0.509	57%	0.565	S	S	.	*	H	α-helix	trans	-67.1	-38.5	174.8	-55.3	0	0	0	0	112	L339 R340 R341 T347	L339-T343 WeakPolarHBondContact O-CB 3.46Å; L339-T343 PolarHBondContact O-N 3.24Å; L339-T343 PolarHBondContact O-OG1 3.21Å; R340-T343 PolarHBondContact O-N 3.17Å; R341-T343 VanDerWaalsContact C-N 3.32Å; R341-T343 PolarHBondContact O-N 2.99Å; T343-T347 WeakPolarHBondContact O-CB 3.38Å; T343-T347 PolarHBondContact O-N 3.03Å; T343-T347 PolarHBondContact O-OG1 3.07Å
344	Q	81.5	Confident	75.8	Confident	128 Å²	128	120.9 Å²	120.9	60%	0.598	58%	0.581	S	S	*	*	H	α-helix	trans	-67.6	-42.6	175.6	-74.2	170.7	-18.8	0	0	111.9	R340 R341 T347 A348	R340-Q344 WeakPolarHBondContact O-CB 3.22Å; R340-Q344 WeakPolarHBondContact O-CG 3.26Å; R340-Q344 PolarHBondContact O-N 2.99Å; R341-Q344 PolarHBondContact O-N 2.94Å; R341-Q344 VanDerWaalsContact O-N 3.16Å; Q344-T347 PolarHBondContact O-N 3.36Å; Q344-A348 WeakPolarHBondContact O-CB 3.41Å; Q344-A348 PolarHBondContact O-N 3.35Å
345	E	79.7	Confident	73.8	Confident	92 Å²	92	120.9 Å²	120.9	43%	0.43	59%	0.592	S	S	.	*	H	α-helix	trans	-56	-51.9	172	-71.2	169.2	-161.7	0	0	111.4	R341 K342 T347 A348 L349	R341-E345 WeakPolarHBondContact O-CG 3.35Å; R341-E345 PolarHBondContact O-N 3.09Å; K342-E345 WeakPolarHBondContact CD-OE2 3.17Å; K342-E345 IonicContact NZ-OE1 2.86Å; K342-E345 PolarHBondContact NZ-OE1 3.27Å; K342-E345 IonicContact NZ-OE2 2.65Å; K342-E345 PolarHBondContact NZ-OE2 2.89Å; E345-T347 PolarHBondContact O-N 3.32Å; E345-A348 PolarHBondContact O-N 3.17Å; E345-L349 WeakPolarHBondContact O-CG 3.47Å; E345-L349 PolarHBondContact O-N 2.8Å
346	V	77.6	Confident	71.1	Confident	70 Å²	70	123.8 Å²	123.8	42%	0.424	61%	0.607	S	S	.	*	H	α-helix	trans	-59.7	-35.4	176.9	170	0	0	0	0	111.9	K342 R350	K342-V346 WeakPolarHBondContact O-CG2 3.3Å; K342-V346 PolarHBondContact O-N 3.49Å; K342-V346 VanDerWaalsContact O-N 3.07Å; V346-R350 VanDerWaalsContact O-CG 3.31Å; V346-R350 WeakPolarHBondContact O-CG 3.37Å; V346-R350 PolarHBondContact O-N 3.21Å
347	T	76.7	Confident	68.7	Low	54 Å²	54	125.2 Å²	125.2	33%	0.331	63%	0.626	S	S	.	*	H	α-helix	trans	-74.8	-35.8	178.1	-55.8	0	0	0	0	112.2	T343 Q344 E345 R350 R351	T343-T347 WeakPolarHBondContact O-CB 3.38Å; T343-T347 PolarHBondContact O-N 3.03Å; T343-T347 PolarHBondContact O-OG1 3.07Å; Q344-T347 PolarHBondContact O-N 3.36Å; E345-T347 PolarHBondContact O-N 3.32Å; T347-R350 PolarHBondContact O-N 2.89Å; T347-R351 WeakPolarHBondContact O-CG 3.45Å; T347-R351 PolarHBondContact O-N 3.25Å
348	A	72.2	Confident	66.2	Low	50 Å²	50	126.1 Å²	126.1	41%	0.413	63%	0.631	S	S	.	*	H	α-helix	trans	-66.3	-44.7	174.7	0	0	0	0	0	111.4	Q344 E345 R350 R351 M352	Q344-A348 WeakPolarHBondContact O-CB 3.41Å; Q344-A348 PolarHBondContact O-N 3.35Å; E345-A348 PolarHBondContact O-N 3.17Å; A348-R350 PolarHBondContact O-N 3.4Å; A348-R351 PolarHBondContact O-N 2.71Å; A348-M352 PolarHBondContact O-N 2.88Å
349	L	70.5	Confident	63.8	Low	129 Å²	129	132.3 Å²	132.3	68%	0.675	65%	0.645	S	S	*	*	H	α-helix	trans	-58.4	-35.8	174.5	-70	169.2	0	0	0	112.2	E345	E345-L349 WeakPolarHBondContact O-CG 3.47Å; E345-L349 PolarHBondContact O-N 2.8Å
350	R	67.5	Low	61.3	Low	192 Å²	192	132.5 Å²	132.5	73%	0.725	65%	0.65	S	S	*	*	H	α-helix	trans	-70.7	-28	173.9	-72.4	171.9	-178.8	-169.2	0.3	113.7	V346 T347 A348	V346-R350 VanDerWaalsContact O-CG 3.31Å; V346-R350 WeakPolarHBondContact O-CG 3.37Å; V346-R350 PolarHBondContact O-N 3.21Å; T347-R350 PolarHBondContact O-N 2.89Å; A348-R350 PolarHBondContact O-N 3.4Å
351	R	60.3	Low	58.8	Low	208 Å²	208	129.1 Å²	129.1	79%	0.785	66%	0.658	S	S	*	*	H	α-helix	trans	-79.6	-17.1	-179.5	-77.3	178.5	177.8	168.9	-0.5	114.3	T347 A348 A353	T347-R351 WeakPolarHBondContact O-CG 3.45Å; T347-R351 PolarHBondContact O-N 3.25Å; A348-R351 PolarHBondContact O-N 2.71Å; R351-A353 PolarHBondContact O-N 2.78Å
352	M	55.5	Low	56.3	Low	170 Å²	170	124.7 Å²	124.7	84%	0.837	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	8.9	177.1	-68.1	-175.1	169.9	0	0	113.8	A348	A348-M352 PolarHBondContact O-N 2.88Å
353	A	45	Very low	54	Low	70 Å²	70	131.1 Å²	131.1	58%	0.579	69%	0.685	S	S	*	*	S	Bend	trans	-119.5	117.1	-177.2	0	0	0	0	0	113.5	R351	R351-A353 PolarHBondContact O-N 2.78Å
354	K	42.2	Very low	51.7	Low	211 Å²	211	133.3 Å²	133.3	92%	0.917	70%	0.698	S	S	*	*			trans	85	157.1	163	-67.2	-172.7	174.5	-176.7	0	118.6
355	P	43.2	Very low	49.6	Very low	125 Å²	125	131.1 Å²	131.1	81%	0.812	70%	0.702	S	S	*	*			trans	-118.7	-166.6	-142.1	44.7	-35	0	0	0	117.3
356	M	30.3	Very low	47.3	Very low	183 Å²	183	136.9 Å²	136.9	90%	0.901	72%	0.72	S	S	*	*			trans	-68.2	154.4	-163.5	-44.8	179.5	-66.2	0	0	118.4
357	S	37	Very low	45.1	Very low	108 Å²	108	141.5 Å²	141.5	76%	0.755	73%	0.73	S	S	*	*				-175.9	132.2	111.5	-173.4	0	0	0	0	114.8
358	D	34.3	Very low	42.8	Very low	118 Å²	118	145.8 Å²	145.8	63%	0.631	75%	0.751	S	S	*	*			trans	29.4	125.6	148.8	-66	-84.9	0	0	0	128
359	R	39.1	Very low	40.8	Very low	222 Å²	222	149.5 Å²	149.5	84%	0.838	76%	0.76	S	S	*	*				70.1	156.2	123.3	-68.4	178.5	159.8	-175	-6.1	120.7
360	V	34.2	Very low	38.9	Very low	126 Å²	126	149 Å²	149	76%	0.764	76%	0.762	S	S	*	*			cis	-152.3	160.3	4.3	98.8	0	0	0	0	113.7
361	A	32.2	Very low	37.8	Very low	97 Å²	97	145.6 Å²	145.6	80%	0.802	76%	0.764	S	S	*	*			trans	64.1	145.6	170.1	0	0	0	0	0	118.1
362	G	33.8	Very low	37.6	Very low	71 Å²	71	141.3 Å²	141.3	73%	0.732	76%	0.764	S	S	*	*			cis	119.3	140.6	3.8	0	0	0	0	0	111.4
363	R	37.4	Very low	36.4	Very low	247 Å²	247	139.7 Å²	139.7	93%	0.932	76%	0.763	S	S	*	*			cis	-155.8	-173.5	10.4	-40.4	175.3	-173.3	164.2	0.3	107.8
364	V	36.3	Very low	35.8	Very low	129 Å²	129	141.8 Å²	141.8	78%	0.782	77%	0.769	S	S	*	*			cis	-162.7	151.8	-1.8	86.9	0	0	0	0	111.3
365	A	36.1	Very low	35	Very low	82 Å²	82	138.8 Å²	138.8	68%	0.678	76%	0.763	S	S	*	*			trans	30.2	161.6	139.5	0	0	0	0	0	124.8
366	R	32.4	Very low	34.4	Very low	212 Å²	212	138.2 Å²	138.2	80%	0.8	76%	0.762	S	S	*	*			cis	-160.7	132.7	3.4	-132.9	-180	169.1	-158.8	-4.9	114.3
367	W	31.2	Very low	34.3	Very low	167 Å²	167	132.9 Å²	132.9	63%	0.633	75%	0.754	S	S	*	*				48.7	132	125.1	-72.9	46.7	0	0	0	126.2	Q369	W367-Q369 HydrophobicContact CE3-CG 4.17Å; W367-Q369 HydrophobicContact CZ3-CG 4.21Å; W367-Q369 VanDerWaalsContact CZ3-OE1 3.22Å
368	N	28.3	Very low	33.9	Very low	145 Å²	145	132.2 Å²	132.2	78%	0.775	76%	0.755	S	S	*	*				178.8	125.1	105.4	-83.6	-17.1	0	0	0	107.6
369	Q	31.1	Very low	33.5	Very low	128 Å²	128	133.2 Å²	133.2	60%	0.598	76%	0.76	S	S	*	*				67.3	101.3	59.1	-68.7	-151.7	-12.6	0	0	113.9	W367	W367-Q369 HydrophobicContact CE3-CG 4.17Å; W367-Q369 HydrophobicContact CZ3-CG 4.21Å; W367-Q369 VanDerWaalsContact CZ3-OE1 3.22Å
370	T	29.5	Very low	33	Very low	119 Å²	119	129.4 Å²	129.4	73%	0.73	76%	0.756	S	S	*	*				77.3	148.5	71.8	57.7	0	0	0	0	113.7
371	P	44.5	Very low	32.7	Very low	119 Å²	119	128.3 Å²	128.3	77%	0.773	75%	0.754	S	S	*	*			cis	-139.2	-179.9	28.7	40.4	-20	0	0	0	118.1
372	P	56.1	Low	32.5	Very low	118 Å²	118	128 Å²	128	77%	0.766	75%	0.751	S	S	*	*			trans	-109.6	-167.1	176	43.4	-34.8	0	0	0	113
373	V	30.4	Very low	32.3	Very low	136 Å²	136	129.5 Å²	129.5	82%	0.824	75%	0.75	S	S	*	*			trans	-157	149.2	153.9	120.6	0	0	0	0	114
374	T	31.4	Very low	31.9	Very low	115 Å²	115	123.8 Å²	123.8	71%	0.706	74%	0.743	S	S	*	*			trans	-20.2	150.7	179.7	54.7	0	0	0	0	121.9
375	D	25.7	Very low	31.5	Very low	148 Å²	148	125.7 Å²	125.7	79%	0.791	75%	0.745	S	S	*	*			cis	95.8	149.5	25.5	-168.6	31.6	0	0	0	115.9
376	S	31.3	Very low	31.1	Very low	112 Å²	112	126.2 Å²	126.2	78%	0.783	75%	0.75	S	S	*	*			trans	82.1	138.9	-172.4	-34.9	0	0	0	0	116.9
377	G	27.2	Very low	30.9	Very low	71 Å²	71	121.6 Å²	121.6	73%	0.732	75%	0.75	S	S	*	*			cis	132	111.2	-16.5	0	0	0	0	0	116.4
378	A	30.3	Very low	30.5	Very low	95 Å²	95	117.3 Å²	117.3	79%	0.785	76%	0.757	S	S	*	*			trans	65.3	158.4	164.1	0	0	0	0	0	117.3
379	D	26	Very low	30.5	Very low	139 Å²	139	114.9 Å²	114.9	74%	0.743	75%	0.752	S	S	*	*			cis	-160.1	162.9	-11.6	-123.9	-25.2	0	0	0	112.2
380	L	28	Very low	30.3	Very low	141 Å²	141	117.2 Å²	117.2	74%	0.738	76%	0.763	S	S	*	*			trans	52.1	117.8	149.1	-63.4	169.1	0	0	0	124.2
381	S	27.9	Very low	30.2	Very low	104 Å²	104	115.2 Å²	115.2	73%	0.727	76%	0.758	S	S	*	*				78.2	106.6	122	-60.5	0	0	0	0	125
382	A	27.1	Very low	29.2	Very low	89 Å²	89	118 Å²	118	74%	0.736	76%	0.761	S	S	*	*				88.9	137.5	113.3	0	0	0	0	0	124.2
383	S	30.6	Very low	27.8	Very low	103 Å²	103	118.7 Å²	118.7	72%	0.72	76%	0.763	S	S	*	*			trans	93.1	121	139.8	-67.8	0	0	0	0	123.6
384	T	29.2	Very low	27.5	Very low	127 Å²	127	116.3 Å²	116.3	78%	0.779	76%	0.758	S	S	*	*			trans	71.9	149.3	137.8	59.7	0	0	0	0	120.1
385	M	28.3	Very low	27.3	Very low	169 Å²	169	121.8 Å²	121.8	83%	0.833	77%	0.766	S	S	*	*			cis	-164.4	160.2	-3.4	-116.4	-70.1	174	0	0	112.8
386	A	27.5	Very low	27.3	Very low	93 Å²	93	120.3 Å²	120.3	77%	0.769	76%	0.762	S	S	*	*			trans	61.6	160.3	157.8	0	0	0	0	0	119
387	S	26.5	Very low	27	Very low	116 Å²	116	122.4 Å²	122.4	81%	0.811	77%	0.77	S	S	*	*			cis	-141	150	-1.5	52	0	0	0	0	108.8
388	G	24.5	Very low	27.1	Very low	76 Å²	76	124.1 Å²	124.1	78%	0.784	77%	0.771	S	S	*	*				90.3	137.6	65.3	0	0	0	0	0	111.1
389	S	28.3	Very low	26.9	Very low	94 Å²	94	123.1 Å²	123.1	66%	0.657	77%	0.769	S	S	*	*			cis	-161.5	173	-2.1	57	0	0	0	0	112.2
390	E	26	Very low	26.9	Very low	177 Å²	177	124.4 Å²	124.4	83%	0.827	78%	0.776	S	S	*	*			trans	69.9	145.4	156.3	-77.9	143.4	-113.7	0	0	120.5
391	A	27.2	Very low	26.8	Very low	77 Å²	77	123.5 Å²	123.5	64%	0.636	78%	0.776	S	S	*	*			cis	-156.5	158.4	-4.4	0	0	0	0	0	113.5
392	E	24.8	Very low	26.7	Very low	177 Å²	177	130.7 Å²	130.7	83%	0.827	79%	0.787	S	S	*	*			trans	52.6	142.3	146.6	-71.5	178.6	178.7	0	0	122.7
393	T	25.5	Very low	26.6	Very low	133 Å²	133	133.2 Å²	133.2	82%	0.816	78%	0.783	S	S	*	*			cis	-154.2	159.4	-23.4	8.4	0	0	0	0	111.5
394	A	25.2	Very low	26.5	Very low	87 Å²	87	140.8 Å²	140.8	72%	0.719	80%	0.796	S	S	*	*			trans	-47.3	153.1	-176.1	0	0	0	0	0	119.7
395	R	26.1	Very low	26.2	Very low	230 Å²	230	140.6 Å²	140.6	87%	0.868	79%	0.791	S	S	*	*				-176.8	139.7	104.6	-98.4	178.7	-175.5	112.3	-0.2	115.2
396	T	25.3	Very low	26.1	Very low	117 Å²	117	138.7 Å²	138.7	72%	0.718	78%	0.784	S	S	*	*			trans	26.6	123.3	150.9	54.9	0	0	0	0	120.9
397	V	25.1	Very low	25.9	Very low	155 Å²	155	144.3 Å²	144.3	94%	0.939	79%	0.791	S	S	*	*			trans	-89.9	105.4	152.8	178.9	0	0	0	0	109.2
398	S	29.9	Very low	25.8	Very low	108 Å²	108	144.5 Å²	144.5	76%	0.755	78%	0.783	S	S	*	*			trans	-139.5	123.9	166	-67.2	0	0	0	0	109.3
399	G	25.6	Very low	25.7	Very low	73 Å²	73	147.7 Å²	147.7	75%	0.753	78%	0.782	S	S	*	*			trans	98.4	88.9	166.9	0	0	0	0	0	117.1
400	L	25.8	Very low	25.5	Very low	167 Å²	167	147.7 Å²	147.7	87%	0.874	79%	0.787	S	S	*	*			trans	-154.5	139.9	146.4	-132.5	67.4	0	0	0	106.3
401	V	27.2	Very low	25.6	Very low	122 Å²	122	150.4 Å²	150.4	74%	0.739	79%	0.792	S	S	*	*			cis	-121.6	123	14	179.1	0	0	0	0	111.4
402	R	25.8	Very low	25.4	Very low	254 Å²	254	150.1 Å²	150.1	96%	0.958	80%	0.796	S	S	*	*			trans	-137.4	48.6	164.6	-123.6	-166.2	-167.3	-161.3	6.6	111.5
403	Q	24.7	Very low	25.4	Very low	143 Å²	143	152.2 Å²	152.2	67%	0.668	80%	0.798	S	S	*	*			trans	-152.8	107	171.1	-154.1	170.5	8.2	0	0	115	N405	Q403-N405 PolarHBondContact NE2-O 2.74Å
404	W	27.3	Very low	25.5	Very low	262 Å²	262	154 Å²	154	99%	0.992	80%	0.799	S	S	*	*	S	Bend	trans	-136.2	60.2	141	-142.9	78.2	0	0	0	110.3
405	N	24.2	Very low	25.4	Very low	123 Å²	123	154.2 Å²	154.2	66%	0.658	80%	0.801	S	S	*	*			trans	-149.6	148	169.5	-142.2	-19.3	0	0	0	112	Q403	Q403-N405 PolarHBondContact NE2-O 2.74Å
406	N	25.8	Very low	25.2	Very low	129 Å²	129	152.4 Å²	152.4	69%	0.69	80%	0.802	S	S	*	*			trans	50.4	105.6	171.7	-70.2	-25.9	0	0	0	119.8
407	K	23.8	Very low	25.2	Very low	210 Å²	210	151.2 Å²	151.2	91%	0.913	80%	0.799	S	S	*	*				-152.4	150.9	117.8	-119	175.9	-176.5	175.4	0	111.1
408	N	23.1	Very low	25.1	Very low	121 Å²	121	153.2 Å²	153.2	65%	0.647	80%	0.797	S	S	*	*				-170.6	151.4	-50.3	-171.5	15.2	0	0	0	106.1
409	N	22.7	Very low	24.8	Very low	143 Å²	143	151.4 Å²	151.4	77%	0.765	80%	0.796	S	S	*	*			trans	37.1	125.5	159	-75.4	-17.4	0	0	0	121.7
410	A	24	Very low	24.9	Very low	93 Å²	93	153.6 Å²	153.6	77%	0.769	80%	0.8	S	S	*	*				-159.5	152.9	121.4	0	0	0	0	0	112.6
411	Y	27.4	Very low	25.1	Very low	235 Å²	235	153.6 Å²	153.6	92%	0.922	80%	0.797	S	S	*	*			trans	-23.6	148.6	159.1	-57.5	-104	0	0	0	115.5
412	G	24.7	Very low	25.2	Very low	70 Å²	70	153 Å²	153	72%	0.722	79%	0.79	S	S	*	*			cis	114.9	145.2	19.6	0	0	0	0	0	111.1
413	Y	25	Very low	25.3	Very low	221 Å²	221	143.9 Å²	143.9	87%	0.867	78%	0.775	S	S	*	*			trans	83.4	144.6	174.6	-107	-111.1	0	0	0	120.6
414	M	26.1	Very low	25.5	Very low	171 Å²	171	141.8 Å²	141.8	84%	0.842	77%	0.772	S	S	*	*			trans	74.8	157.9	168	-55.3	-49.9	-101.7	0	0	121.1
415	A	23	Very low	25.6	Very low	91 Å²	91	138.9 Å²	138.9	75%	0.752	76%	0.761	S	S	*	*			trans	-144.6	-164.3	-166.4	0	0	0	0	0	110.6
416	E	23.1	Very low	25.6	Very low	193 Å²	193	138.8 Å²	138.8	90%	0.902	77%	0.765	S	S	*	*			trans	72.4	154.3	174.7	-64.8	-176.9	-169	0	0	116.6
417	S	24.6	Very low	25.6	Very low	92 Å²	92	139.6 Å²	139.6	64%	0.643	77%	0.767	S	S	*	*			cis	-166.7	157.7	-28.7	-167.7	0	0	0	0	111.3
418	E	22.9	Very low	25.7	Very low	196 Å²	196	135.6 Å²	135.6	92%	0.916	77%	0.766	S	S	*	*			trans	54.4	157.7	152.8	-81.4	-178	146.8	0	0	125.3
419	G	23.7	Very low	25.8	Very low	70 Å²	70	140.3 Å²	140.3	72%	0.722	78%	0.775	S	S	*	*			trans	119.7	107.7	174.1	0	0	0	0	0	113.9
420	S	27.4	Very low	26.1	Very low	119 Å²	119	142 Å²	142	83%	0.832	78%	0.775	S	S	*	*			cis	78.8	139.4	21.9	-147.8	0	0	0	0	114.5
421	M	30.5	Very low	26.3	Very low	168 Å²	168	146.4 Å²	146.4	83%	0.828	78%	0.777	S	S	*	*			cis	-154.7	172.5	7.4	-143.5	176.7	70.7	0	0	107.9
422	D	29.5	Very low	26.1	Very low	108 Å²	108	142.4 Å²	142.4	58%	0.578	77%	0.771	S	S	*	*			cis	-117.9	-121.7	5	-177.3	27.4	0	0	0	109	T424 R425	D422-T424 WeakPolarHBondContact OD2-CB 3.46Å; D422-T424 WeakPolarHBondContact OD2-CG2 3.21Å; D422-T424 PolarHBondContact OD2-OG1 3.47Å; D422-R425 IonicContact OD2-NH2 2.92Å
423	G	28.4	Very low	26.1	Very low	63 Å²	63	145 Å²	145	65%	0.649	76%	0.764	S	S	*	*			cis	160.9	163.2	-6.1	0	0	0	0	0	112.8
424	T	29	Very low	26.2	Very low	99 Å²	99	144.6 Å²	144.6	61%	0.607	76%	0.761	S	S	*	*			cis	-168.6	169.7	-25.6	0.6	0	0	0	0	107.1	D422	D422-T424 WeakPolarHBondContact OD2-CB 3.46Å; D422-T424 WeakPolarHBondContact OD2-CG2 3.21Å; D422-T424 PolarHBondContact OD2-OG1 3.47Å
425	R	28.3	Very low	26.3	Very low	202 Å²	202	145.5 Å²	145.5	76%	0.762	76%	0.76	S	S	*	*			cis	-161.3	-168	7.4	-152.3	159.5	-72	179.8	-0.6	109.2	D422	D422-R425 IonicContact OD2-NH2 2.92Å
426	V	23.8	Very low	27	Very low	121 Å²	121	147 Å²	147	73%	0.733	76%	0.762	S	S	*	*			trans	78.8	77.8	161.1	-156.5	0	0	0	0	121.5
427	I	27.3	Very low	27.3	Very low	145 Å²	145	142.5 Å²	142.5	74%	0.744	76%	0.758	S	S	*	*				37.5	124.7	113	-53	165.4	0	0	0	120.9
428	S	24.6	Very low	27.4	Very low	126 Å²	126	142 Å²	142	88%	0.881	77%	0.767	S	S	*	*			trans	-164.3	171.4	134.6	-95.5	0	0	0	0	115.1
429	R	26.8	Very low	27.7	Very low	220 Å²	220	141.4 Å²	141.4	83%	0.83	77%	0.769	S	S	*	*			trans	-133.4	144.7	-160.8	-71	174.3	167.7	171.7	-2.6	116.2
430	K	28.1	Very low	27.9	Very low	178 Å²	178	141.6 Å²	141.6	77%	0.774	77%	0.771	S	S	*	*			trans	54.9	129.8	137.1	-71.6	-179.1	176.5	175.3	0	123.1
431	K	27.1	Very low	28	Very low	186 Å²	186	141.9 Å²	141.9	81%	0.809	77%	0.773	S	S	*	*			trans	67.8	120.2	134.4	-74.3	-172.7	170.8	-170.2	0	121.2
432	L	24.2	Very low	28.1	Very low	151 Å²	151	140.6 Å²	140.6	79%	0.791	78%	0.775	S	S	*	*				179.9	158.4	122.4	-115.5	58.9	0	0	0	108.3
433	Q	24.6	Very low	28.2	Very low	125 Å²	125	139.7 Å²	139.7	58%	0.584	78%	0.782	S	S	*	*			cis	-156.8	153.7	-8.8	-153.8	179.7	96.3	0	0	111.8
434	R	26.2	Very low	28.8	Very low	213 Å²	213	143 Å²	143	80%	0.804	79%	0.792	S	S	*	*			trans	54	135.5	149.8	-91.1	176.2	-177.6	136.7	-11.2	124.6
435	K	28.3	Very low	29.1	Very low	189 Å²	189	143 Å²	143	82%	0.822	80%	0.802	S	S	*	*			trans	-78.6	157.6	142.2	-79	-176	173.2	-179.3	0	110.1
436	P	37.5	Very low	29.2	Very low	123 Å²	123	137 Å²	137	80%	0.799	80%	0.803	S	S	*	*				-121.4	146.3	87.7	2	20	0	0	0	111.8
437	A	30	Very low	29.8	Very low	99 Å²	99	142.7 Å²	142.7	82%	0.818	81%	0.812	S	S	*	*				79	112.8	63.2	0	0	0	0	0	114
438	G	27.5	Very low	30.2	Very low	80 Å²	80	140.5 Å²	140.5	83%	0.825	82%	0.815	S	S	*	*			trans	160.4	122.2	177.6	0	0	0	0	0	113.1
439	L	29.6	Very low	31.1	Very low	185 Å²	185	140.8 Å²	140.8	97%	0.969	81%	0.807	S	S	*	*			trans	-35.2	150	-177.9	-90.4	52.2	0	0	0	118.6
440	G	28.1	Very low	32.1	Very low	73 Å²	73	136 Å²	136	75%	0.753	81%	0.807	S	S	*	*			trans	146.8	104.8	142.6	0	0	0	0	0	118.1
441	S	28.9	Very low	33.4	Very low	125 Å²	125	134.5 Å²	134.5	87%	0.874	80%	0.801	S	S	*	*			trans	57.5	119.1	158	-156.2	0	0	0	0	120
442	T	32.3	Very low	35.3	Very low	142 Å²	142	127.7 Å²	127.7	87%	0.871	78%	0.777	S	S	*	*			trans	-85.5	124.4	170.9	47.3	0	0	0	0	112.4
443	A	30.9	Very low	37.6	Very low	88 Å²	88	129 Å²	129	73%	0.727	78%	0.776	S	S	*	*			trans	-132.9	125.8	159.1	0	0	0	0	0	108.8	A445	A443-A445 PolarHBondContact O-N 2.96Å
444	P	41.3	Very low	39.9	Very low	132 Å²	132	125.5 Å²	125.5	86%	0.857	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-72.6	122.2	179.4	28.8	-32.5	0	0	0	109.9
445	A	34.9	Very low	42.3	Very low	100 Å²	100	115.6 Å²	115.6	83%	0.826	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-60.3	138.5	174.3	0	0	0	0	0	110.6	A443 R447	A443-A445 PolarHBondContact O-N 2.96Å; A445-R447 PolarHBondContact O-N 2.96Å
446	G	31.6	Very low	44.7	Very low	76 Å²	76	112.1 Å²	112.1	78%	0.784	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-61.2	132.4	179.8	0	0	0	0	0	111.6	A448	G446-A448 PolarHBondContact O-N 3.46Å
447	R	36.3	Very low	46.7	Very low	241 Å²	241	111.7 Å²	111.7	91%	0.909	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-61.7	120	168.8	-72.4	179.2	174.7	169.5	-2.7	108.6	A445 N449	A445-R447 PolarHBondContact O-N 2.96Å; R447-N449 PolarHBondContact O-N 3.5Å
448	A	36.1	Very low	49	Very low	98 Å²	98	109 Å²	109	81%	0.81	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-61.5	131.6	162.4	0	0	0	0	0	108.6	G446 S450	G446-A448 PolarHBondContact O-N 3.46Å; A448-S450 PolarHBondContact O-N 3.23Å
449	N	43.6	Very low	51.7	Low	133 Å²	133	106 Å²	106	71%	0.711	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-63.5	121.9	-178.5	-89.4	-4.5	0	0	0	110.7	R447 F451	R447-N449 PolarHBondContact O-N 3.5Å; N449-F451 PolarHBondContact O-N 3Å; N449-F451 VanDerWaalsContact O-N 3.1Å
450	S	46.6	Very low	54.2	Low	119 Å²	119	102 Å²	102	83%	0.832	61%	0.611	S	S	*	*			trans	-69.4	103.2	168	53.9	0	0	0	0	109.7	A448	A448-S450 PolarHBondContact O-N 3.23Å
451	F	56.7	Low	56.7	Low	147 Å²	147	101.9 Å²	101.9	65%	0.645	60%	0.596	S	S	*	*			trans	-55.8	132.8	-178.1	-54.4	-92.8	0	0	0	113.2	N449 K453 R456	N449-F451 PolarHBondContact O-N 3Å; N449-F451 VanDerWaalsContact O-N 3.1Å; F451-K453 PolarHBondContact O-N 2.93Å; F451-R456 VanDerWaalsContact CB-NH2 3.35Å
452	S	65.1	Low	59.1	Low	43 Å²	43	98.5 Å²	98.5	30%	0.301	57%	0.568	S	S	.	*			trans	-64.4	120.8	166.3	177.5	0	0	0	0	109.8	S454 A455 E575	S452-S454 VanDerWaalsContact C-N 3.3Å; S452-S454 WeakPolarHBondContact OG-CB 3.43Å; S452-S454 PolarHBondContact OG-N 2.89Å; S452-A455 PolarHBondContact OG-N 2.84Å; S452-A455 VanDerWaalsContact OG-N 3.1Å; S452-E575 PolarHBondContact OG-OE1 2.97Å
453	K	73.1	Confident	61.4	Low	179 Å²	179	95.5 Å²	95.5	78%	0.778	54%	0.544	S	S	*	.	H	α-helix	trans	-67.7	-33.9	167.2	-70.8	-173.9	176.6	-176.2	0	111.1	F451 R456 L457	F451-K453 PolarHBondContact O-N 2.93Å; K453-R456 PolarHBondContact O-N 2.86Å; K453-L457 PolarHBondContact O-N 3.4Å
454	S	74.3	Confident	63.8	Low	50 Å²	50	97.3 Å²	97.3	35%	0.35	53%	0.532	S	S	.	.	H	α-helix	trans	-59.4	-47.4	177.4	150.7	0	0	0	0	111.8	S452 R456 L457 K458 E575	S452-S454 VanDerWaalsContact C-N 3.3Å; S452-S454 WeakPolarHBondContact OG-CB 3.43Å; S452-S454 PolarHBondContact OG-N 2.89Å; S454-R456 VanDerWaalsContact C-N 3.29Å; S454-R456 PolarHBondContact O-N 2.92Å; S454-L457 PolarHBondContact O-N 2.85Å; S454-L457 VanDerWaalsContact O-N 3.1Å; S454-K458 WeakPolarHBondContact O-CG 3.34Å; S454-K458 PolarHBondContact O-N 2.71Å; S454-K458 WeakPolarHBondContact OG-CE 3.45Å; S454-E575 WeakPolarHBondContact CB-OE1 3.41Å; S454-E575 PolarHBondContact OG-OE1 3.28Å; S454-E575 PolarHBondContact OG-OE2 3.45Å
455	A	74.6	Confident	65.6	Low	6 Å²	6	93 Å²	93	5%	0.05	50%	0.498	C	S	.	.	H	α-helix	trans	-56.4	-40.4	179.9	0	0	0	0	0	113.3	S452 W459 E575	S452-A455 PolarHBondContact OG-N 2.84Å; S452-A455 VanDerWaalsContact OG-N 3.1Å; A455-W459 PolarHBondContact O-N 2.88Å; A455-E575 HydrophobicContact CB-CB 4.12Å; A455-E575 HydrophobicContact CB-CG 4Å; A455-E575 PolarHBondContact N-OE1 3.4Å
456	R	79	Confident	67.8	Low	116 Å²	116	91.6 Å²	91.6	44%	0.438	48%	0.476	S	S	.	.	H	α-helix	trans	-71.6	-38	177.3	-75.6	-177.4	-69.8	-128.7	-3.5	112.7	F451 K453 S454 W459 Q460	F451-R456 VanDerWaalsContact CB-NH2 3.35Å; K453-R456 PolarHBondContact O-N 2.86Å; S454-R456 VanDerWaalsContact C-N 3.29Å; S454-R456 PolarHBondContact O-N 2.92Å; R456-W459 PolarHBondContact O-N 2.94Å; R456-Q460 WeakPolarHBondContact O-CG 3.28Å; R456-Q460 PolarHBondContact O-N 3.21Å
457	L	80.9	Confident	70.2	Confident	113 Å²	113	93.3 Å²	93.3	59%	0.592	47%	0.465	S	S	*	.	H	α-helix	trans	-65.3	-40.7	175.3	-162.5	75.4	0	0	0	111.3	K453 S454 Q460 T461	K453-L457 PolarHBondContact O-N 3.4Å; S454-L457 PolarHBondContact O-N 2.85Å; S454-L457 VanDerWaalsContact O-N 3.1Å; L457-Q460 PolarHBondContact O-N 2.85Å; L457-T461 PolarHBondContact O-N 3.28Å; L457-T461 VanDerWaalsContact O-N 3.1Å; L457-T461 PolarHBondContact O-OG1 3.4Å
458	K	78.1	Confident	72.3	Confident	43 Å²	43	85 Å²	85	19%	0.187	44%	0.439	C	S	.	.	H	α-helix	trans	-61.3	-44.7	172.7	-70.4	177.3	177.9	-177.6	0	111.7	S454 T461 L462 S570 E575 L579	S454-K458 WeakPolarHBondContact O-CG 3.34Å; S454-K458 PolarHBondContact O-N 2.71Å; S454-K458 WeakPolarHBondContact OG-CE 3.45Å; K458-T461 PolarHBondContact O-N 2.78Å; K458-L462 PolarHBondContact O-N 2.9Å; K458-S570 PolarHBondContact NZ-O 3.09Å; K458-E575 IonicContact NZ-OE2 2.94Å; K458-E575 PolarHBondContact NZ-OE2 3.22Å; K458-L579 HydrophobicContact CB-CD2 4.39Å
459	W	83.9	Confident	74.6	Confident	16 Å²	16	82.2 Å²	82.2	6%	0.061	41%	0.41	C	S	.	.	H	α-helix	trans	-58	-52.7	173.6	178.1	-99.7	0	0	0	111.6	A455 R456 T461 L462 E463 L579 H582 F583 A586	A455-W459 PolarHBondContact O-N 2.88Å; R456-W459 PolarHBondContact O-N 2.94Å; W459-T461 PolarHBondContact O-N 3.11Å; W459-L462 HydrophobicContact CE3-CD2 4.43Å; W459-L462 HydrophobicContact CZ3-CD2 4.27Å; W459-L462 WeakPolarHBondContact O-CB 3.44Å; W459-L462 PolarHBondContact O-N 2.84Å; W459-E463 HydrophobicContact CZ2-CB 4.43Å; W459-E463 PolarHBondContact NE1-OE1 3.31Å; W459-E463 VanDerWaalsContact NE1-OE1 3.11Å; W459-E463 PolarHBondContact NE1-OE2 3.26Å; W459-E463 VanDerWaalsContact O-CB 3.3Å; W459-E463 WeakPolarHBondContact O-CB 3.18Å; W459-E463 PolarHBondContact O-N 3.25Å; W459-L579 HydrophobicContact CB-CD2 3.76Å; W459-L579 HydrophobicContact CE3-CD2 4.07Å; W459-H582 AromaticContact CD1-ND1 3.88Å; W459-H582 HydrophobicContact CD2-CB 3.77Å; W459-H582 AromaticContact CE2-ND1 3.93Å; W459-H582 HydrophobicContact CE3-CB 3.82Å; W459-H582 HydrophobicContact CG-CB 4.39Å; W459-H582 HydrophobicContact CH2-CB 4.31Å; W459-H582 HydrophobicContact CZ2-CB 4.24Å; W459-H582 HydrophobicContact CZ3-CB 4.1Å; W459-H582 AromaticContact NE1-ND1 3.7Å; W459-F583 HydrophobicContact CH2-CB 4.11Å; W459-F583 HydrophobicContact CH2-CD2 4.12Å; W459-F583 HydrophobicContact CZ3-CB 3.86Å; W459-F583 HydrophobicContact CZ3-CD2 4.15Å; W459-A586 HydrophobicContact CH2-CB 4.34Å; W459-A586 HydrophobicContact CZ2-CB 4.14Å
460	Q	82.4	Confident	76.4	Confident	101 Å²	101	80.1 Å²	80.1	47%	0.472	40%	0.402	S	S	.	.	H	α-helix	trans	-61.5	-29.6	-177.3	-73.2	175	-39.6	0	0	113.7	R456 L457 R464	R456-Q460 WeakPolarHBondContact O-CG 3.28Å; R456-Q460 PolarHBondContact O-N 3.21Å; L457-Q460 PolarHBondContact O-N 2.85Å; Q460-R464 WeakPolarHBondContact O-CB 3.12Å; Q460-R464 VanDerWaalsContact O-CZ 3.31Å; Q460-R464 PolarHBondContact O-N 3.11Å; Q460-R464 VanDerWaalsContact O-N 3.14Å; Q460-R464 PolarHBondContact O-NE 2.83Å; Q460-R464 PolarHBondContact O-NH2 3.03Å
461	T	80.1	Confident	78.2	Confident	72 Å²	72	79.5 Å²	79.5	44%	0.442	39%	0.387	S	S	.	.	H	α-helix	trans	-77.9	-36.3	174.3	-65.9	0	0	0	0	112.4	L457 K458 W459 R464 R465	L457-T461 PolarHBondContact O-N 3.28Å; L457-T461 VanDerWaalsContact O-N 3.1Å; L457-T461 PolarHBondContact O-OG1 3.4Å; K458-T461 PolarHBondContact O-N 2.78Å; W459-T461 PolarHBondContact O-N 3.11Å; T461-R464 PolarHBondContact OG1-NH2 3.48Å; T461-R465 PolarHBondContact O-N 3.18Å
462	L	78.8	Confident	79.6	Confident	54 Å²	54	75 Å²	75	28%	0.283	37%	0.368	S	S	.	.	H	α-helix	trans	-65.9	-43.5	171.5	-179.4	63.1	0	0	0	111.5	K458 W459 R465 I466	K458-L462 PolarHBondContact O-N 2.9Å; W459-L462 HydrophobicContact CE3-CD2 4.43Å; W459-L462 HydrophobicContact CZ3-CD2 4.27Å; W459-L462 WeakPolarHBondContact O-CB 3.44Å; W459-L462 PolarHBondContact O-N 2.84Å; L462-R465 PolarHBondContact O-N 2.87Å; L462-I466 HydrophobicContact CD1-CD1 4.15Å; L462-I466 HydrophobicContact CD1-CG1 4.47Å; L462-I466 HydrophobicContact CG-CD1 3.91Å; L462-I466 VanDerWaalsContact O-CG1 3.27Å; L462-I466 WeakPolarHBondContact O-CG1 3.41Å; L462-I466 PolarHBondContact O-N 2.89Å
463	E	81.1	Confident	80.5	Confident	79 Å²	79	81 Å²	81	37%	0.369	38%	0.384	S	S	.	.	H	α-helix	trans	-62.8	-45.5	179.5	-175.9	164.5	-123.7	0	0	111.9	W459 I466 M467	W459-E463 HydrophobicContact CZ2-CB 4.43Å; W459-E463 PolarHBondContact NE1-OE1 3.31Å; W459-E463 VanDerWaalsContact NE1-OE1 3.11Å; W459-E463 PolarHBondContact NE1-OE2 3.26Å; W459-E463 VanDerWaalsContact O-CB 3.3Å; W459-E463 WeakPolarHBondContact O-CB 3.18Å; W459-E463 PolarHBondContact O-N 3.25Å; E463-I466 PolarHBondContact O-N 3.27Å; E463-M467 WeakPolarHBondContact O-CG 3.19Å; E463-M467 PolarHBondContact O-N 3.09Å
464	R	82.4	Confident	81.1	Confident	125 Å²	125	77.7 Å²	77.7	47%	0.472	37%	0.373	S	S	.	.	H	α-helix	trans	-58.1	-52.3	171.1	-86	179.8	-79.4	98.2	2.5	112	Q460 T461 I466 M467 D468	Q460-R464 WeakPolarHBondContact O-CB 3.12Å; Q460-R464 VanDerWaalsContact O-CZ 3.31Å; Q460-R464 PolarHBondContact O-N 3.11Å; Q460-R464 VanDerWaalsContact O-N 3.14Å; Q460-R464 PolarHBondContact O-NE 2.83Å; Q460-R464 PolarHBondContact O-NH2 3.03Å; T461-R464 PolarHBondContact OG1-NH2 3.48Å; R464-I466 VanDerWaalsContact C-N 3.27Å; R464-I466 PolarHBondContact O-N 3.19Å; R464-M467 CarbonylContact O-C 3.57Å; R464-M467 WeakPolarHBondContact O-CA 3.45Å; R464-M467 VanDerWaalsContact O-CB 3.32Å; R464-M467 WeakPolarHBondContact O-CB 3.46Å; R464-M467 PolarHBondContact O-N 3.27Å; R464-D468 VanDerWaalsContact C-OD2 3.32Å; R464-D468 PolarHBondContact O-N 3.14Å; R464-D468 VanDerWaalsContact O-OD2 3.04Å
465	R	78.6	Confident	81.8	Confident	42 Å²	42	78.4 Å²	78.4	16%	0.158	38%	0.375	C	S	.	.	H	α-helix	trans	-61.4	-33.8	-179.9	-175.1	171	170.7	-158.8	-3.3	113.2	T461 L462 D468 I469 L559 V562	T461-R465 PolarHBondContact O-N 3.18Å; L462-R465 PolarHBondContact O-N 2.87Å; R465-D468 WeakPolarHBondContact CA-OD2 3.28Å; R465-D468 PolarHBondContact O-N 3.21Å; R465-I469 HydrophobicContact CG-CD1 4.02Å; R465-I469 WeakPolarHBondContact O-CD1 3.36Å; R465-I469 VanDerWaalsContact O-CG1 3.27Å; R465-I469 WeakPolarHBondContact O-CG1 3.47Å; R465-I469 PolarHBondContact O-N 3.43Å; R465-L559 PolarHBondContact NE-O 3.45Å; R465-L559 PolarHBondContact NH2-O 3.03Å; R465-V562 PolarHBondContact NH1-O 2.94Å; R465-V562 PolarHBondContact NH2-O 3.41Å
466	I	80.8	Confident	82.5	Confident	70 Å²	70	79.4 Å²	79.4	36%	0.359	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-42.1	171.6	-71.1	166.9	0	0	0	110.6	L462 E463 R464 V470	L462-I466 HydrophobicContact CD1-CD1 4.15Å; L462-I466 HydrophobicContact CD1-CG1 4.47Å; L462-I466 HydrophobicContact CG-CD1 3.91Å; L462-I466 VanDerWaalsContact O-CG1 3.27Å; L462-I466 WeakPolarHBondContact O-CG1 3.41Å; L462-I466 PolarHBondContact O-N 2.89Å; E463-I466 PolarHBondContact O-N 3.27Å; R464-I466 VanDerWaalsContact C-N 3.27Å; R464-I466 PolarHBondContact O-N 3.19Å; I466-V470 WeakPolarHBondContact O-CB 3.39Å; I466-V470 WeakPolarHBondContact O-CG2 3.47Å; I466-V470 PolarHBondContact O-N 2.78Å
467	M	81.3	Confident	83	Confident	112 Å²	112	76.8 Å²	76.8	55%	0.552	38%	0.379	S	S	*	.	H	α-helix	trans	-63.4	-42.1	173.2	-70	176.2	57.4	0	0	112.2	E463 R464 V470 M471	E463-M467 WeakPolarHBondContact O-CG 3.19Å; E463-M467 PolarHBondContact O-N 3.09Å; R464-M467 CarbonylContact O-C 3.57Å; R464-M467 WeakPolarHBondContact O-CA 3.45Å; R464-M467 VanDerWaalsContact O-CB 3.32Å; R464-M467 WeakPolarHBondContact O-CB 3.46Å; R464-M467 PolarHBondContact O-N 3.27Å; M467-V470 CarbonylContact O-C 3.51Å; M467-V470 PolarHBondContact O-N 2.95Å; M467-M471 WeakPolarHBondContact O-CG 3.28Å; M467-M471 PolarHBondContact O-N 3.03Å
468	D	81.9	Confident	83.4	Confident	67 Å²	67	75.1 Å²	75.1	36%	0.358	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-46.9	179.9	-56.5	-38.3	0	0	0	111.2	R464 R465 V470 M471 Q472 L559	R464-D468 VanDerWaalsContact C-OD2 3.32Å; R464-D468 PolarHBondContact O-N 3.14Å; R464-D468 VanDerWaalsContact O-OD2 3.04Å; R465-D468 WeakPolarHBondContact CA-OD2 3.28Å; R465-D468 PolarHBondContact O-N 3.21Å; D468-V470 VanDerWaalsContact C-N 3.33Å; D468-V470 PolarHBondContact O-N 2.87Å; D468-M471 PolarHBondContact O-N 3.19Å; D468-Q472 PolarHBondContact O-N 2.92Å; D468-L559 HydrophobicContact CB-CD2 4.48Å
469	I	82.6	Confident	84.1	Confident	40 Å²	40	74.1 Å²	74.1	21%	0.205	37%	0.368	C	S	.	.	H	α-helix	trans	-62.1	-38.7	174.2	-67	164.8	0	0	0	111.5	R465 R473 L559	R465-I469 HydrophobicContact CG-CD1 4.02Å; R465-I469 WeakPolarHBondContact O-CD1 3.36Å; R465-I469 VanDerWaalsContact O-CG1 3.27Å; R465-I469 WeakPolarHBondContact O-CG1 3.47Å; R465-I469 PolarHBondContact O-N 3.43Å; I469-R473 WeakPolarHBondContact O-CB 3.46Å; I469-R473 VanDerWaalsContact O-CG 3.3Å; I469-R473 WeakPolarHBondContact O-CG 3.33Å; I469-R473 PolarHBondContact O-N 3.09Å; I469-R473 VanDerWaalsContact O-N 3.08Å; I469-L559 HydrophobicContact CG1-CD2 3.66Å; I469-L559 HydrophobicContact CG1-CG 4.34Å
470	V	83.1	Confident	84.3	Confident	88 Å²	88	77.7 Å²	77.7	53%	0.533	39%	0.385	S	S	.	.	H	α-helix	trans	-68.2	-39.4	176.3	166.2	0	0	0	0	111.3	I466 M467 D468 R473 M474	I466-V470 WeakPolarHBondContact O-CB 3.39Å; I466-V470 WeakPolarHBondContact O-CG2 3.47Å; I466-V470 PolarHBondContact O-N 2.78Å; M467-V470 CarbonylContact O-C 3.51Å; M467-V470 PolarHBondContact O-N 2.95Å; D468-V470 VanDerWaalsContact C-N 3.33Å; D468-V470 PolarHBondContact O-N 2.87Å; V470-R473 PolarHBondContact O-N 2.84Å; V470-M474 WeakPolarHBondContact O-CB 3.38Å; V470-M474 PolarHBondContact O-N 2.88Å
471	M	84.4	Confident	84.7	Confident	106 Å²	106	74.9 Å²	74.9	52%	0.522	38%	0.379	S	S	.	.	H	α-helix	trans	-66.8	-44.9	176	-72.4	-169.8	-57.9	0	0	111.6	M467 D468 R473 M474 T475	M467-M471 WeakPolarHBondContact O-CG 3.28Å; M467-M471 PolarHBondContact O-N 3.03Å; D468-M471 PolarHBondContact O-N 3.19Å; M471-R473 PolarHBondContact O-N 3.03Å; M471-M474 PolarHBondContact O-N 3.38Å; M471-T475 PolarHBondContact O-N 3.36Å; M471-T475 PolarHBondContact O-OG1 2.78Å; M471-T475 VanDerWaalsContact O-OG1 3.05Å
472	Q	84.7	Confident	85.2	Confident	54 Å²	54	75 Å²	75	25%	0.252	38%	0.377	S	S	.	.	H	α-helix	trans	-56.5	-48.5	173.7	-76.9	-178.8	-30.3	0	0	111.9	D468 M474 T475 I476 I552	D468-Q472 PolarHBondContact O-N 2.92Å; Q472-M474 VanDerWaalsContact C-N 3.32Å; Q472-M474 PolarHBondContact O-N 2.73Å; Q472-T475 PolarHBondContact O-N 2.81Å; Q472-I476 WeakPolarHBondContact O-CG1 3.08Å; Q472-I476 PolarHBondContact O-N 2.65Å; Q472-I552 HydrophobicContact CB-CG2 4.33Å; Q472-I552 HydrophobicContact CG-CG2 4.4Å
473	R	84.8	Confident	85.8	Confident	169 Å²	169	74 Å²	74	64%	0.638	37%	0.372	S	S	*	.	H	α-helix	trans	-63	-36.4	177.2	-73.1	172.3	177.9	-111.2	-1.5	112.9	I469 V470 M471 S477	I469-R473 WeakPolarHBondContact O-CB 3.46Å; I469-R473 VanDerWaalsContact O-CG 3.3Å; I469-R473 WeakPolarHBondContact O-CG 3.33Å; I469-R473 PolarHBondContact O-N 3.09Å; I469-R473 VanDerWaalsContact O-N 3.08Å; V470-R473 PolarHBondContact O-N 2.84Å; M471-R473 PolarHBondContact O-N 3.03Å; R473-S477 VanDerWaalsContact O-CB 3.31Å; R473-S477 WeakPolarHBondContact O-CB 3.43Å; R473-S477 PolarHBondContact O-N 3.13Å
474	M	85.8	Confident	86.2	Confident	109 Å²	109	74.5 Å²	74.5	54%	0.537	38%	0.377	S	S	.	.	H	α-helix	trans	-67	-40.8	174.4	-168.8	75.8	-160	0	0	111.3	V470 M471 Q472 S477 N478	V470-M474 WeakPolarHBondContact O-CB 3.38Å; V470-M474 PolarHBondContact O-N 2.88Å; M471-M474 PolarHBondContact O-N 3.38Å; Q472-M474 VanDerWaalsContact C-N 3.32Å; Q472-M474 PolarHBondContact O-N 2.73Å; M474-S477 PolarHBondContact O-N 3.33Å; M474-N478 WeakPolarHBondContact O-CB 3.4Å; M474-N478 PolarHBondContact O-N 3Å; M474-N478 PolarHBondContact O-ND2 2.92Å
475	T	88.6	Confident	86.7	Confident	65 Å²	65	76.4 Å²	76.4	40%	0.399	38%	0.384	S	S	.	.	H	α-helix	trans	-63.8	-47.8	176.3	-58	0	0	0	0	111.3	M471 Q472 S477 N478 V479 I552	M471-T475 PolarHBondContact O-N 3.36Å; M471-T475 PolarHBondContact O-OG1 2.78Å; M471-T475 VanDerWaalsContact O-OG1 3.05Å; Q472-T475 PolarHBondContact O-N 2.81Å; T475-S477 PolarHBondContact O-N 3.22Å; T475-N478 PolarHBondContact O-N 2.98Å; T475-V479 WeakPolarHBondContact O-CG2 3.13Å; T475-V479 PolarHBondContact O-N 2.87Å; T475-I552 HydrophobicContact CG2-CD1 3.67Å
476	I	88.4	Confident	87.3	Confident	26 Å²	26	76.1 Å²	76.1	13%	0.133	39%	0.385	C	S	.	.	H	α-helix	trans	-55.7	-52.7	173.6	-65.8	167.5	0	0	0	109.8	Q472 N478 V479 E480 I552 E553	Q472-I476 WeakPolarHBondContact O-CG1 3.08Å; Q472-I476 PolarHBondContact O-N 2.65Å; I476-N478 VanDerWaalsContact C-N 3.25Å; I476-N478 PolarHBondContact O-N 3.23Å; I476-V479 PolarHBondContact O-N 3.23Å; I476-E480 HydrophobicContact CG2-CG 4.04Å; I476-E480 WeakPolarHBondContact O-CG 3.24Å; I476-E480 PolarHBondContact O-N 3.01Å; I476-I552 HydrophobicContact CD1-CB 4.46Å; I476-I552 HydrophobicContact CD1-CG2 3.82Å; I476-I552 HydrophobicContact CG1-CB 4.22Å; I476-I552 HydrophobicContact CG1-CD1 4.49Å; I476-I552 HydrophobicContact CG1-CG2 3.81Å; I476-E553 HydrophobicContact CD1-CG 4.44Å
477	S	89.9	Confident	87.8	Confident	61 Å²	61	75.8 Å²	75.8	43%	0.427	38%	0.383	S	S	.	.	H	α-helix	trans	-61.8	-28.8	-178.2	-176.1	0	0	0	0	114.2	R473 M474 T475 E480 A481	R473-S477 VanDerWaalsContact O-CB 3.31Å; R473-S477 WeakPolarHBondContact O-CB 3.43Å; R473-S477 PolarHBondContact O-N 3.13Å; M474-S477 PolarHBondContact O-N 3.33Å; T475-S477 PolarHBondContact O-N 3.22Å; S477-E480 WeakPolarHBondContact CA-OE2 3.42Å; S477-A481 WeakPolarHBondContact O-CB 3.37Å; S477-A481 PolarHBondContact O-N 3.26Å; S477-A481 VanDerWaalsContact O-N 3.17Å
478	N	88.9	Confident	88.3	Confident	78 Å²	78	76.1 Å²	76.1	42%	0.417	38%	0.382	S	S	.	.	H	α-helix	trans	-72.8	-44.8	172.1	-71.7	-27.8	0	0	0	111.7	M474 T475 I476 A481 D482	M474-N478 WeakPolarHBondContact O-CB 3.4Å; M474-N478 PolarHBondContact O-N 3Å; M474-N478 PolarHBondContact O-ND2 2.92Å; T475-N478 PolarHBondContact O-N 2.98Å; I476-N478 VanDerWaalsContact C-N 3.25Å; I476-N478 PolarHBondContact O-N 3.23Å; N478-A481 PolarHBondContact O-N 3.02Å; N478-D482 PolarHBondContact O-N 2.8Å
479	V	92.7	Very high	88.7	Confident	23 Å²	23	76.9 Å²	76.9	14%	0.139	38%	0.382	C	S	.	.	H	α-helix	trans	-67.6	-37	178.8	178.9	0	0	0	0	111	T475 I476 D482 M483 C545 T548 I549	T475-V479 WeakPolarHBondContact O-CG2 3.13Å; T475-V479 PolarHBondContact O-N 2.87Å; I476-V479 PolarHBondContact O-N 3.23Å; V479-D482 PolarHBondContact O-N 3.06Å; V479-M483 VanDerWaalsContact O-CB 3.28Å; V479-M483 WeakPolarHBondContact O-CB 3.48Å; V479-M483 PolarHBondContact O-N 3.47Å; V479-C545 HydrophobicContact CG1-CB 3.81Å; V479-C545 WeakPolarHBondContact CG1-O 3.49Å; V479-T548 HydrophobicContact CG2-CG2 4.19Å; V479-I549 HydrophobicContact CB-CG1 4.21Å; V479-I549 HydrophobicContact CG1-CD1 3.96Å; V479-I549 HydrophobicContact CG1-CG1 3.78Å
480	E	89.6	Confident	89.3	Confident	91 Å²	91	80 Å²	80	43%	0.425	39%	0.391	S	S	.	.	H	α-helix	trans	-58.2	-46	168.9	-71.7	175.1	142.5	0	0	111.3	I476 S477 D482 M483 D484 I549	I476-E480 HydrophobicContact CG2-CG 4.04Å; I476-E480 WeakPolarHBondContact O-CG 3.24Å; I476-E480 PolarHBondContact O-N 3.01Å; S477-E480 WeakPolarHBondContact CA-OE2 3.42Å; E480-D482 PolarHBondContact O-N 3.39Å; E480-M483 WeakPolarHBondContact O-CB 3.35Å; E480-M483 PolarHBondContact O-N 3.14Å; E480-D484 PolarHBondContact O-N 3.35Å; E480-I549 HydrophobicContact CG-CD1 4.01Å
481	A	89.6	Confident	89.7	Confident	42 Å²	42	81.5 Å²	81.5	35%	0.347	39%	0.392	S	S	.	.	H	α-helix	trans	-68.9	-29.9	179.9	0	0	0	0	0	113.8	S477 N478 R485	S477-A481 WeakPolarHBondContact O-CB 3.37Å; S477-A481 PolarHBondContact O-N 3.26Å; S477-A481 VanDerWaalsContact O-N 3.17Å; N478-A481 PolarHBondContact O-N 3.02Å; A481-R485 WeakPolarHBondContact O-CD 3.48Å; A481-R485 VanDerWaalsContact O-CG 3.3Å; A481-R485 WeakPolarHBondContact O-CG 3.32Å; A481-R485 PolarHBondContact O-N 2.91Å
482	D	90.5	Very high	90.1	Very high	73 Å²	73	82.2 Å²	82.2	39%	0.39	39%	0.394	S	S	.	.	H	α-helix	trans	-78.9	-34.2	171.9	-79.4	-36.3	0	0	0	112.3	N478 V479 E480 R485 L486	N478-D482 PolarHBondContact O-N 2.8Å; V479-D482 PolarHBondContact O-N 3.06Å; E480-D482 PolarHBondContact O-N 3.39Å; D482-R485 WeakPolarHBondContact O-CB 3.41Å; D482-R485 PolarHBondContact O-N 2.78Å; D482-R485 VanDerWaalsContact OD1-CD 3.32Å; D482-R485 WeakPolarHBondContact OD1-CD 3.48Å; D482-R485 IonicContact OD1-CZ 2.87Å; D482-R485 IonicContact OD1-NE 3.47Å; D482-R485 IonicContact OD1-NH1 2.71Å; D482-R485 PolarHBondContact OD1-NH1 2.76Å; D482-L486 WeakPolarHBondContact O-CG 3.34Å; D482-L486 PolarHBondContact O-N 2.67Å
483	M	92.6	Very high	90.4	Very high	35 Å²	35	80.5 Å²	80.5	17%	0.172	39%	0.387	C	S	.	.	H	α-helix	trans	-60.4	-45	169.1	-171.7	179.5	62.9	0	0	111.3	V479 E480 R485 L486 I487 L542 C545 Q546 I549	V479-M483 VanDerWaalsContact O-CB 3.28Å; V479-M483 WeakPolarHBondContact O-CB 3.48Å; V479-M483 PolarHBondContact O-N 3.47Å; E480-M483 WeakPolarHBondContact O-CB 3.35Å; E480-M483 PolarHBondContact O-N 3.14Å; M483-R485 VanDerWaalsContact C-N 3.27Å; M483-R485 PolarHBondContact O-N 2.88Å; M483-L486 PolarHBondContact O-N 2.78Å; M483-I487 HydrophobicContact CG-CD1 4.18Å; M483-I487 WeakPolarHBondContact O-CG1 3.31Å; M483-I487 PolarHBondContact O-N 2.94Å; M483-L542 HydrophobicContact CB-CD2 4.41Å; M483-L542 HydrophobicContact CG-CD2 3.57Å; M483-C545 HydrophobicContact CB-CB 4.24Å; M483-C545 HydrophobicContact CG-CB 4.46Å; M483-Q546 HydrophobicContact SD-CG 3.86Å; M483-I549 HydrophobicContact CE-CD1 4.41Å; M483-I549 HydrophobicContact SD-CD1 4.48Å
484	D	88.9	Confident	90.6	Very high	89 Å²	89	74.3 Å²	74.3	48%	0.476	37%	0.368	S	S	.	.	H	α-helix	trans	-59.5	-33.7	174.1	-93.5	1.7	0	0	0	113.2	E480 K488	E480-D484 PolarHBondContact O-N 3.35Å; D484-K488 WeakPolarHBondContact O-CG 3.19Å; D484-K488 PolarHBondContact O-N 3.36Å
485	R	92.4	Very high	90.9	Very high	165 Å²	165	75.5 Å²	75.5	62%	0.623	37%	0.374	S	S	*	.	H	α-helix	trans	-72.4	-42	174.8	-72	163	176.4	167.8	0.4	111.4	A481 D482 M483 K488 K489	A481-R485 WeakPolarHBondContact O-CD 3.48Å; A481-R485 VanDerWaalsContact O-CG 3.3Å; A481-R485 WeakPolarHBondContact O-CG 3.32Å; A481-R485 PolarHBondContact O-N 2.91Å; D482-R485 WeakPolarHBondContact O-CB 3.41Å; D482-R485 PolarHBondContact O-N 2.78Å; D482-R485 VanDerWaalsContact OD1-CD 3.32Å; D482-R485 WeakPolarHBondContact OD1-CD 3.48Å; D482-R485 IonicContact OD1-CZ 2.87Å; D482-R485 IonicContact OD1-NE 3.47Å; D482-R485 IonicContact OD1-NH1 2.71Å; D482-R485 PolarHBondContact OD1-NH1 2.76Å; M483-R485 VanDerWaalsContact C-N 3.27Å; M483-R485 PolarHBondContact O-N 2.88Å; R485-K488 PolarHBondContact O-N 3.48Å; R485-K489 WeakPolarHBondContact O-CB 3.33Å; R485-K489 PolarHBondContact O-N 3.11Å
486	L	91.3	Very high	90.9	Very high	36 Å²	36	77.4 Å²	77.4	19%	0.188	38%	0.378	C	S	.	.	H	α-helix	trans	-65.6	-40.8	177	-74	170.8	0	0	0	111.6	D482 M483 K489 R490 I538 L542	D482-L486 WeakPolarHBondContact O-CG 3.34Å; D482-L486 PolarHBondContact O-N 2.67Å; M483-L486 PolarHBondContact O-N 2.78Å; L486-K489 PolarHBondContact O-N 3.37Å; L486-R490 PolarHBondContact O-N 3.25Å; L486-I538 HydrophobicContact CB-CG2 4.08Å; L486-I538 HydrophobicContact CD2-CG1 4.42Å; L486-I538 HydrophobicContact CD2-CG2 4.19Å; L486-I538 WeakPolarHBondContact O-CG2 3.44Å; L486-L542 HydrophobicContact CB-CD2 3.48Å; L486-L542 VanDerWaalsContact CB-CD2 3.48Å; L486-L542 HydrophobicContact CB-CG 3.93Å; L486-L542 HydrophobicContact CD1-CD2 4.26Å
487	I	92.4	Very high	91.1	Very high	62 Å²	62	78.2 Å²	78.2	32%	0.318	38%	0.382	S	S	.	.	H	α-helix	trans	-57.6	-51.6	173.8	-70.2	166.6	0	0	0	110.4	M483 K489 R490 E491 L542	M483-I487 HydrophobicContact CG-CD1 4.18Å; M483-I487 WeakPolarHBondContact O-CG1 3.31Å; M483-I487 PolarHBondContact O-N 2.94Å; I487-K489 PolarHBondContact O-N 3.42Å; I487-R490 WeakPolarHBondContact O-CA 3.16Å; I487-R490 WeakPolarHBondContact O-CB 3.36Å; I487-R490 PolarHBondContact O-N 3.4Å; I487-R490 VanDerWaalsContact O-N 3.09Å; I487-E491 WeakPolarHBondContact O-CG 3.29Å; I487-E491 PolarHBondContact O-N 3.4Å; I487-L542 HydrophobicContact CG1-CD1 4.34Å; I487-L542 HydrophobicContact CG1-CD2 3.83Å
488	K	90.6	Very high	91.1	Very high	120 Å²	120	81.1 Å²	81.1	52%	0.522	39%	0.388	S	S	.	.	H	α-helix	trans	-60.9	-42.8	178.6	-73	168.5	-177.1	162	0	112.7	D484 R485 R490 E491 E492	D484-K488 WeakPolarHBondContact O-CG 3.19Å; D484-K488 PolarHBondContact O-N 3.36Å; R485-K488 PolarHBondContact O-N 3.48Å; K488-R490 VanDerWaalsContact C-N 3.27Å; K488-R490 PolarHBondContact O-N 3.08Å; K488-E491 PolarHBondContact O-N 3.46Å; K488-E492 WeakPolarHBondContact O-CG 3.27Å; K488-E492 PolarHBondContact O-N 3.22Å
489	K	91.9	Very high	91.2	Very high	83 Å²	83	80.3 Å²	80.3	36%	0.361	39%	0.392	S	S	.	.	H	α-helix	trans	-63.3	-34.7	175.8	-169.3	-171	170.7	-142.8	0	111.6	R485 L486 I487 L493 I538	R485-K489 WeakPolarHBondContact O-CB 3.33Å; R485-K489 PolarHBondContact O-N 3.11Å; L486-K489 PolarHBondContact O-N 3.37Å; I487-K489 PolarHBondContact O-N 3.42Å; K489-L493 VanDerWaalsContact O-CG 3.32Å; K489-L493 WeakPolarHBondContact O-CG 3.26Å; K489-L493 PolarHBondContact O-N 3.4Å; K489-L493 VanDerWaalsContact O-N 3.08Å; K489-I538 HydrophobicContact CB-CD1 4.11Å; K489-I538 HydrophobicContact CD-CD1 3.63Å; K489-I538 HydrophobicContact CG-CD1 3.76Å
490	R	94.8	Very high	90.9	Very high	105 Å²	105	80.6 Å²	80.6	40%	0.396	39%	0.393	S	S	.	.	H	α-helix	trans	-65	-48	171.9	-179.1	179.7	166	-175.5	-4.7	111.2	L486 I487 K488 E492 L493 T494 I535 I538 N539	L486-R490 PolarHBondContact O-N 3.25Å; I487-R490 WeakPolarHBondContact O-CA 3.16Å; I487-R490 WeakPolarHBondContact O-CB 3.36Å; I487-R490 PolarHBondContact O-N 3.4Å; I487-R490 VanDerWaalsContact O-N 3.09Å; K488-R490 VanDerWaalsContact C-N 3.27Å; K488-R490 PolarHBondContact O-N 3.08Å; R490-E492 VanDerWaalsContact C-N 3.31Å; R490-E492 PolarHBondContact O-N 2.97Å; R490-L493 PolarHBondContact O-N 3.47Å; R490-T494 WeakPolarHBondContact O-CB 3.41Å; R490-T494 PolarHBondContact O-N 2.88Å; R490-T494 PolarHBondContact O-OG1 2.99Å; R490-T494 VanDerWaalsContact O-OG1 3.09Å; R490-I535 HydrophobicContact CG-CG2 4.4Å; R490-I538 HydrophobicContact CB-CG2 3.92Å; R490-N539 WeakPolarHBondContact CD-OD1 3.39Å; R490-N539 PolarHBondContact NE-OD1 3.01Å; R490-N539 PolarHBondContact NH1-OD1 3.29Å
491	E	92.1	Very high	90.7	Very high	119 Å²	119	78 Å²	78	56%	0.556	39%	0.385	S	S	*	.	H	α-helix	trans	-57.3	-43.2	176.9	-67.8	171.3	157.3	0	0	111.6	I487 K488 T494 M495	I487-E491 WeakPolarHBondContact O-CG 3.29Å; I487-E491 PolarHBondContact O-N 3.4Å; K488-E491 PolarHBondContact O-N 3.46Å; E491-T494 PolarHBondContact O-N 3.43Å; E491-M495 PolarHBondContact O-N 3.18Å
492	E	91.7	Very high	90.6	Very high	121 Å²	121	81.7 Å²	81.7	57%	0.565	40%	0.395	S	S	*	.	H	α-helix	trans	-59	-48	173.9	-73.5	169.6	-172.7	0	0	112.5	K488 R490 M495 Q496	K488-E492 WeakPolarHBondContact O-CG 3.27Å; K488-E492 PolarHBondContact O-N 3.22Å; R490-E492 VanDerWaalsContact C-N 3.31Å; R490-E492 PolarHBondContact O-N 2.97Å; E492-M495 PolarHBondContact O-N 2.98Å; E492-Q496 WeakPolarHBondContact O-CG 3.32Å; E492-Q496 PolarHBondContact O-N 3.16Å; E492-Q496 VanDerWaalsContact O-N 3.13Å
493	L	91.1	Very high	90.3	Very high	19 Å²	19	83 Å²	83	10%	0.099	40%	0.397	C	S	.	.	H	α-helix	trans	-69.1	-36.4	178.6	-67.9	174.5	0	0	0	112.5	K489 R490 Q496 Q497 L531 N534 I535 I538	K489-L493 VanDerWaalsContact O-CG 3.32Å; K489-L493 WeakPolarHBondContact O-CG 3.26Å; K489-L493 PolarHBondContact O-N 3.4Å; K489-L493 VanDerWaalsContact O-N 3.08Å; R490-L493 PolarHBondContact O-N 3.47Å; L493-Q496 PolarHBondContact O-N 3.21Å; L493-Q497 WeakPolarHBondContact O-CB 3.07Å; L493-Q497 PolarHBondContact O-N 3.08Å; L493-L531 HydrophobicContact CD2-CD2 3.64Å; L493-N534 HydrophobicContact CD1-CB 3.86Å; L493-I535 HydrophobicContact CB-CD1 4.09Å; L493-I535 HydrophobicContact CB-CG1 3.72Å; L493-I535 HydrophobicContact CD1-CG1 4.24Å; L493-I538 HydrophobicContact CD1-CD1 3.58Å
494	T	89.3	Confident	90	Very high	39 Å²	39	86.3 Å²	86.3	24%	0.239	41%	0.408	C	S	.	.	H	α-helix	trans	-64.8	-40.1	175.6	-61.3	0	0	0	0	111.1	R490 E491 Q496 Q497 E498	R490-T494 WeakPolarHBondContact O-CB 3.41Å; R490-T494 PolarHBondContact O-N 2.88Å; R490-T494 PolarHBondContact O-OG1 2.99Å; R490-T494 VanDerWaalsContact O-OG1 3.09Å; E491-T494 PolarHBondContact O-N 3.43Å; T494-Q496 VanDerWaalsContact C-N 3.35Å; T494-Q496 PolarHBondContact O-N 3.39Å; T494-Q497 WeakPolarHBondContact O-CB 3.46Å; T494-Q497 PolarHBondContact O-N 3.1Å; T494-E498 WeakPolarHBondContact O-CG 3.35Å; T494-E498 PolarHBondContact O-N 3.14Å
495	M	90.8	Very high	89.7	Confident	133 Å²	133	88.4 Å²	88.4	66%	0.655	42%	0.415	S	S	*	.	H	α-helix	trans	-66.8	-34	172.8	-67.8	-143.4	-48.8	0	0	113.1	E491 E492 Q497 A499	E491-M495 PolarHBondContact O-N 3.18Å; E492-M495 PolarHBondContact O-N 2.98Å; M495-Q497 VanDerWaalsContact C-N 3.34Å; M495-A499 WeakPolarHBondContact O-CB 3.42Å; M495-A499 PolarHBondContact O-N 2.82Å
496	Q	89.6	Confident	89.2	Confident	106 Å²	106	83.5 Å²	83.5	50%	0.495	40%	0.403	S	S	.	.	H	α-helix	trans	-66.3	-38.4	173	-71.8	174.7	1.5	0	0	111.7	E492 L493 T494 A499 L500 L531	E492-Q496 WeakPolarHBondContact O-CG 3.32Å; E492-Q496 PolarHBondContact O-N 3.16Å; E492-Q496 VanDerWaalsContact O-N 3.13Å; L493-Q496 PolarHBondContact O-N 3.21Å; T494-Q496 VanDerWaalsContact C-N 3.35Å; T494-Q496 PolarHBondContact O-N 3.39Å; Q496-A499 PolarHBondContact O-N 2.85Å; Q496-L500 PolarHBondContact O-N 2.87Å; Q496-L531 HydrophobicContact CB-CD1 4Å; Q496-L531 HydrophobicContact CB-CD2 4.46Å
497	Q	92.4	Very high	88.4	Confident	43 Å²	43	84.2 Å²	84.2	20%	0.201	41%	0.406	C	S	.	.	H	α-helix	trans	-64.2	-47.5	174.5	-178.7	-178.3	18.6	0	0	111.6	L493 T494 M495 A499 L500 S501 L531 N532 I535	L493-Q497 WeakPolarHBondContact O-CB 3.07Å; L493-Q497 PolarHBondContact O-N 3.08Å; T494-Q497 WeakPolarHBondContact O-CB 3.46Å; T494-Q497 PolarHBondContact O-N 3.1Å; M495-Q497 VanDerWaalsContact C-N 3.34Å; Q497-A499 VanDerWaalsContact C-N 3.31Å; Q497-A499 PolarHBondContact O-N 3.18Å; Q497-L500 PolarHBondContact O-N 2.91Å; Q497-S501 WeakPolarHBondContact O-CB 3.38Å; Q497-S501 PolarHBondContact O-N 2.97Å; Q497-S501 PolarHBondContact O-OG 3.35Å; Q497-L531 HydrophobicContact CB-CD1 4.17Å; Q497-N532 PolarHBondContact NE2-OD1 2.96Å; Q497-I535 HydrophobicContact CB-CD1 4.44Å
498	E	90.8	Very high	87.4	Confident	121 Å²	121	86.4 Å²	86.4	57%	0.565	42%	0.417	S	S	*	.	H	α-helix	trans	-61.3	-38.6	176.6	-73.5	177.8	178.2	0	0	112	T494 S501 H502	T494-E498 WeakPolarHBondContact O-CG 3.35Å; T494-E498 PolarHBondContact O-N 3.14Å; E498-S501 WeakPolarHBondContact CA-OG 3.31Å; E498-S501 PolarHBondContact O-OG 2.89Å; E498-H502 WeakPolarHBondContact O-CB 3.47Å; E498-H502 PolarHBondContact O-N 3.48Å
499	A	89.4	Confident	86.5	Confident	61 Å²	61	84.5 Å²	84.5	50%	0.504	42%	0.423	S	S	.	.	H	α-helix	trans	-66.4	-41.5	175.6	0	0	0	0	0	112.5	M495 Q496 Q497 K503	M495-A499 WeakPolarHBondContact O-CB 3.42Å; M495-A499 PolarHBondContact O-N 2.82Å; Q496-A499 PolarHBondContact O-N 2.85Å; Q497-A499 VanDerWaalsContact C-N 3.31Å; Q497-A499 PolarHBondContact O-N 3.18Å; A499-K503 WeakPolarHBondContact O-CB 3.49Å; A499-K503 PolarHBondContact O-N 2.95Å
500	L	87.6	Confident	85.3	Confident	30 Å²	30	86.4 Å²	86.4	16%	0.157	44%	0.437	C	S	.	.	H	α-helix	trans	-73	-34.9	176	-74.8	177.5	0	0	0	112.7	Q496 Q497 K503 R504 V524 E527 I528 L531	Q496-L500 PolarHBondContact O-N 2.87Å; Q497-L500 PolarHBondContact O-N 2.91Å; L500-K503 HydrophobicContact CD2-CD 3.97Å; L500-K503 WeakPolarHBondContact O-CB 3.48Å; L500-K503 PolarHBondContact O-N 3.38Å; L500-R504 WeakPolarHBondContact O-CB 3.23Å; L500-R504 PolarHBondContact O-N 3.2Å; L500-V524 HydrophobicContact CB-CG1 4.38Å; L500-V524 HydrophobicContact CD2-CG1 4.45Å; L500-E527 HydrophobicContact CD1-CB 3.8Å; L500-I528 HydrophobicContact CB-CD1 4.15Å; L500-I528 HydrophobicContact CB-CG1 3.8Å; L500-L531 HydrophobicContact CD1-CD1 3.79Å
501	S	85.6	Confident	83.4	Confident	37 Å²	37	83.6 Å²	83.6	26%	0.259	44%	0.441	S	S	.	.	H	α-helix	trans	-66.4	-40	173.7	66.6	0	0	0	0	111.5	Q497 E498 R504 E505	Q497-S501 WeakPolarHBondContact O-CB 3.38Å; Q497-S501 PolarHBondContact O-N 2.97Å; Q497-S501 PolarHBondContact O-OG 3.35Å; E498-S501 WeakPolarHBondContact CA-OG 3.31Å; E498-S501 PolarHBondContact O-OG 2.89Å; S501-R504 WeakPolarHBondContact O-CB 3.43Å; S501-R504 PolarHBondContact O-N 3.14Å; S501-E505 WeakPolarHBondContact O-CG 3.31Å; S501-E505 PolarHBondContact O-N 2.74Å
502	H	86.7	Confident	81.2	Confident	118 Å²	118	87.2 Å²	87.2	55%	0.546	46%	0.458	S	S	.	.	H	α-helix	trans	-65.8	-37.9	171.9	-172.3	-42.4	0	0	0	111.8	E498 R504 E505 V506	E498-H502 WeakPolarHBondContact O-CB 3.47Å; E498-H502 PolarHBondContact O-N 3.48Å; H502-R504 VanDerWaalsContact C-N 3.34Å; H502-E505 PolarHBondContact O-N 2.99Å; H502-V506 WeakPolarHBondContact O-CG2 3.44Å; H502-V506 PolarHBondContact O-N 2.9Å
503	K	84.9	Confident	79.5	Confident	100 Å²	100	82.5 Å²	82.5	44%	0.435	44%	0.442	S	S	.	.	H	α-helix	trans	-62.3	-42	174.4	-175.2	-172.1	173.7	-165.8	0	111.3	A499 L500 V506 L507 V524	A499-K503 WeakPolarHBondContact O-CB 3.49Å; A499-K503 PolarHBondContact O-N 2.95Å; L500-K503 HydrophobicContact CD2-CD 3.97Å; L500-K503 WeakPolarHBondContact O-CB 3.48Å; L500-K503 PolarHBondContact O-N 3.38Å; K503-V506 PolarHBondContact O-N 3.23Å; K503-L507 HydrophobicContact CG-CD1 4.3Å; K503-L507 WeakPolarHBondContact O-CG 3.39Å; K503-L507 PolarHBondContact O-N 2.81Å; K503-V524 HydrophobicContact CD-CG2 4.38Å
504	R	85.1	Confident	77.8	Confident	106 Å²	106	86.9 Å²	86.9	40%	0.4	47%	0.471	S	S	.	.	H	α-helix	trans	-61.2	-48.3	172.3	173.6	-173.7	162.1	-140.9	-7	111.6	L500 S501 H502 V506 L507 M508 L521 V524 N525	L500-R504 WeakPolarHBondContact O-CB 3.23Å; L500-R504 PolarHBondContact O-N 3.2Å; S501-R504 WeakPolarHBondContact O-CB 3.43Å; S501-R504 PolarHBondContact O-N 3.14Å; H502-R504 VanDerWaalsContact C-N 3.34Å; R504-V506 VanDerWaalsContact C-N 3.26Å; R504-V506 PolarHBondContact O-N 3.45Å; R504-L507 PolarHBondContact O-N 2.83Å; R504-L507 VanDerWaalsContact O-N 3.16Å; R504-M508 HydrophobicContact CG-CG 4.44Å; R504-M508 VanDerWaalsContact O-CG 3.28Å; R504-M508 WeakPolarHBondContact O-CG 3.24Å; R504-M508 PolarHBondContact O-N 3.1Å; R504-L521 HydrophobicContact CG-CD2 4.23Å; R504-V524 HydrophobicContact CB-CG1 3.9Å; R504-N525 VanDerWaalsContact CD-OD1 3.28Å; R504-N525 WeakPolarHBondContact CD-OD1 3.45Å; R504-N525 PolarHBondContact NE-OD1 3.03Å
505	E	82.7	Confident	76.3	Confident	133 Å²	133	92.7 Å²	92.7	62%	0.621	50%	0.496	S	S	*	.	H	α-helix	trans	-58.8	-36.2	177.7	-76.2	175	-174.4	0	0	112.6	S501 H502 A509	S501-E505 WeakPolarHBondContact O-CG 3.31Å; S501-E505 PolarHBondContact O-N 2.74Å; H502-E505 PolarHBondContact O-N 2.99Å; E505-A509 WeakPolarHBondContact O-CB 3.49Å; E505-A509 PolarHBondContact O-N 2.9Å
506	V	81.8	Confident	74.6	Confident	61 Å²	61	89.5 Å²	89.5	37%	0.37	49%	0.491	S	S	.	.	H	α-helix	trans	-69.9	-45.1	173.3	171.5	0	0	0	0	111.7	H502 K503 R504 M508 A509 D510	H502-V506 WeakPolarHBondContact O-CG2 3.44Å; H502-V506 PolarHBondContact O-N 2.9Å; K503-V506 PolarHBondContact O-N 3.23Å; R504-V506 VanDerWaalsContact C-N 3.26Å; R504-V506 PolarHBondContact O-N 3.45Å; V506-M508 VanDerWaalsContact C-N 3.25Å; V506-M508 PolarHBondContact O-N 3.29Å; V506-A509 WeakPolarHBondContact O-CB 3.3Å; V506-A509 PolarHBondContact O-N 3.49Å; V506-D510 PolarHBondContact O-N 2.91Å
507	L	75.2	Confident	73.3	Confident	51 Å²	51	87.3 Å²	87.3	27%	0.267	48%	0.481	S	S	.	.	H	α-helix	trans	-62.2	-31	176.5	-72.5	168.5	0	0	0	112.9	K503 R504 A509 L521 V524	K503-L507 HydrophobicContact CG-CD1 4.3Å; K503-L507 WeakPolarHBondContact O-CG 3.39Å; K503-L507 PolarHBondContact O-N 2.81Å; R504-L507 PolarHBondContact O-N 2.83Å; R504-L507 VanDerWaalsContact O-N 3.16Å; L507-A509 VanDerWaalsContact C-N 3.27Å; L507-A509 PolarHBondContact O-N 2.93Å; L507-L521 HydrophobicContact CB-CD2 3.62Å; L507-L521 HydrophobicContact CB-CG 4.34Å; L507-V524 HydrophobicContact CD1-CG2 4.44Å
508	M	71.1	Confident	72.2	Confident	109 Å²	109	89.6 Å²	89.6	54%	0.537	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.2	172	-65.5	-67.6	-62	0	0	113.5	R504 V506 L521	R504-M508 HydrophobicContact CG-CG 4.44Å; R504-M508 VanDerWaalsContact O-CG 3.28Å; R504-M508 WeakPolarHBondContact O-CG 3.24Å; R504-M508 PolarHBondContact O-N 3.1Å; V506-M508 VanDerWaalsContact C-N 3.25Å; V506-M508 PolarHBondContact O-N 3.29Å; M508-L521 HydrophobicContact CG-CD2 3.89Å; M508-L521 HydrophobicContact SD-CD1 3.63Å; M508-L521 HydrophobicContact SD-CD2 3.69Å; M508-L521 HydrophobicContact SD-CG 4.27Å
509	A	71.8	Confident	71.3	Confident	79 Å²	79	92 Å²	92	65%	0.653	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-24.8	-173.7	0	0	0	0	0	114.4	E505 V506 L507	E505-A509 WeakPolarHBondContact O-CB 3.49Å; E505-A509 PolarHBondContact O-N 2.9Å; V506-A509 WeakPolarHBondContact O-CB 3.3Å; V506-A509 PolarHBondContact O-N 3.49Å; L507-A509 VanDerWaalsContact C-N 3.27Å; L507-A509 PolarHBondContact O-N 2.93Å
510	D	67	Low	70.7	Confident	124 Å²	124	91.4 Å²	91.4	66%	0.663	49%	0.486	S	S	*	.	S	Bend	trans	-93.5	1.8	-175.3	-77.6	-24.7	0	0	0	114.6	V506	V506-D510 PolarHBondContact O-N 2.91Å
511	G	54.1	Low	70.3	Confident	46 Å²	46	91.2 Å²	91.2	47%	0.474	49%	0.485	S	S	.	.			trans	-61.1	126.5	-157.3	0	0	0	0	0	118.4	E517	G511-E517 WeakPolarHBondContact CA-OE2 3.49Å
512	E	46.6	Very low	70.1	Confident	195 Å²	195	94.7 Å²	94.7	91%	0.911	50%	0.497	S	S	*	.			trans	-138.8	28	168.8	-78	-156.5	147	0	0	113.8	E517	E512-E517 PolarHBondContact N-OE1 3.08Å; E512-E517 VanDerWaalsContact N-OE1 3.13Å; E512-E517 PolarHBondContact N-OE2 3.02Å; E512-E517 VanDerWaalsContact N-OE2 3.15Å
513	G	56	Low	70	Confident	22 Å²	22	93.4 Å²	93.4	23%	0.227	49%	0.491	C	S	.	.			trans	-160	96	-177.3	0	0	0	0	0	119.6	E515 A516 E517	G513-E515 VanDerWaalsContact C-N 3.3Å; G513-E515 PolarHBondContact O-N 3.17Å; G513-A516 PolarHBondContact O-N 2.84Å; G513-E517 VanDerWaalsContact N-CD 3.31Å; G513-E517 PolarHBondContact N-OE1 2.69Å; G513-E517 PolarHBondContact N-OE2 3.47Å; G513-E517 PolarHBondContact O-N 2.71Å
514	P	56.3	Low	70.1	Confident	110 Å²	110	88.9 Å²	88.9	71%	0.714	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	34.1	-164.6	37.9	-41.7	0	0	0	116.5
515	E	56.1	Low	70.2	Confident	161 Å²	161	86.5 Å²	86.5	75%	0.752	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.1	-21.3	172.5	-73.9	-168.3	-172.6	0	0	113.1	G513	G513-E515 VanDerWaalsContact C-N 3.3Å; G513-E515 PolarHBondContact O-N 3.17Å
516	A	56.8	Low	70.6	Confident	67 Å²	67	85.1 Å²	85.1	55%	0.554	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-42	178.6	0	0	0	0	0	111.7	G513 R519 L520	G513-A516 PolarHBondContact O-N 2.84Å; A516-R519 PolarHBondContact O-N 3.32Å; A516-L520 WeakPolarHBondContact O-CG 3.47Å; A516-L520 PolarHBondContact O-N 3.16Å
517	E	61.9	Low	71	Confident	60 Å²	60	86.7 Å²	86.7	28%	0.28	46%	0.464	S	S	.	.	H	α-helix	trans	-65.8	-43.8	-178.3	-67.2	170.2	167.1	0	0	110.9	G511 E512 G513 R519 L520 L521	G511-E517 WeakPolarHBondContact CA-OE2 3.49Å; E512-E517 PolarHBondContact N-OE1 3.08Å; E512-E517 VanDerWaalsContact N-OE1 3.13Å; E512-E517 PolarHBondContact N-OE2 3.02Å; E512-E517 VanDerWaalsContact N-OE2 3.15Å; G513-E517 VanDerWaalsContact N-CD 3.31Å; G513-E517 PolarHBondContact N-OE1 2.69Å; G513-E517 PolarHBondContact N-OE2 3.47Å; G513-E517 PolarHBondContact O-N 2.71Å; E517-R519 VanDerWaalsContact C-N 3.27Å; E517-R519 PolarHBondContact O-N 3.46Å; E517-L520 WeakPolarHBondContact O-CA 3.46Å; E517-L520 WeakPolarHBondContact O-CB 3.35Å; E517-L520 PolarHBondContact O-N 3.47Å; E517-L521 WeakPolarHBondContact O-CG 3.34Å; E517-L521 PolarHBondContact O-N 3.1Å
518	D	67.9	Low	71.7	Confident	91 Å²	91	85 Å²	85	49%	0.487	46%	0.456	S	S	.	.	H	α-helix	trans	-51.8	-42	176.4	-57.1	13.6	0	0	0	112.9	L521 Q522	D518-L521 PolarHBondContact O-N 2.59Å; D518-Q522 WeakPolarHBondContact O-CB 3.12Å; D518-Q522 PolarHBondContact O-N 3.22Å
519	R	72.4	Confident	72.7	Confident	171 Å²	171	86.1 Å²	86.1	65%	0.645	46%	0.459	S	S	*	.	H	α-helix	trans	-69.8	-34.5	178	-65.4	-173.4	-174	-172.7	2.7	112.4	A516 E517 Q522 E523	A516-R519 PolarHBondContact O-N 3.32Å; E517-R519 VanDerWaalsContact C-N 3.27Å; E517-R519 PolarHBondContact O-N 3.46Å; R519-Q522 PolarHBondContact O-N 3.04Å; R519-E523 WeakPolarHBondContact O-CB 3.43Å; R519-E523 VanDerWaalsContact O-CG 3.3Å; R519-E523 WeakPolarHBondContact O-CG 3.42Å; R519-E523 PolarHBondContact O-N 3.03Å
520	L	76.3	Confident	73.7	Confident	49 Å²	49	86.6 Å²	86.6	26%	0.257	45%	0.454	S	S	.	.	H	α-helix	trans	-73.6	-34.1	176.8	-60.4	-172.6	0	0	0	111.7	A516 E517 E523 V524 R686	A516-L520 WeakPolarHBondContact O-CG 3.47Å; A516-L520 PolarHBondContact O-N 3.16Å; E517-L520 WeakPolarHBondContact O-CA 3.46Å; E517-L520 WeakPolarHBondContact O-CB 3.35Å; E517-L520 PolarHBondContact O-N 3.47Å; L520-E523 WeakPolarHBondContact CD2-OE2 3.46Å; L520-V524 WeakPolarHBondContact O-CB 3.34Å; L520-V524 VanDerWaalsContact O-CG2 3.28Å; L520-V524 WeakPolarHBondContact O-CG2 3.25Å; L520-V524 PolarHBondContact O-N 3.04Å; L520-R686 VanDerWaalsContact CD2-NH1 3.33Å
521	L	80.5	Confident	74.9	Confident	25 Å²	25	81.6 Å²	81.6	13%	0.131	43%	0.427	C	S	.	.	H	α-helix	trans	-67.4	-40.9	170.8	-71.3	165	0	0	0	111	R504 L507 M508 E517 D518 V524 N525	R504-L521 HydrophobicContact CG-CD2 4.23Å; L507-L521 HydrophobicContact CB-CD2 3.62Å; L507-L521 HydrophobicContact CB-CG 4.34Å; M508-L521 HydrophobicContact CG-CD2 3.89Å; M508-L521 HydrophobicContact SD-CD1 3.63Å; M508-L521 HydrophobicContact SD-CD2 3.69Å; M508-L521 HydrophobicContact SD-CG 4.27Å; E517-L521 WeakPolarHBondContact O-CG 3.34Å; E517-L521 PolarHBondContact O-N 3.1Å; D518-L521 PolarHBondContact O-N 2.59Å; L521-V524 PolarHBondContact O-N 3.09Å; L521-N525 WeakPolarHBondContact O-CB 3.48Å; L521-N525 VanDerWaalsContact O-CG 3.23Å; L521-N525 PolarHBondContact O-N 3.49Å; L521-N525 PolarHBondContact O-ND2 3.27Å
522	Q	81.4	Confident	76.7	Confident	111 Å²	111	82.2 Å²	82.2	52%	0.519	42%	0.419	S	S	.	.	H	α-helix	trans	-63.4	-49.5	173.4	-174.6	174.9	-4.7	0	0	111.9	D518 R519 V524 N525 E526	D518-Q522 WeakPolarHBondContact O-CB 3.12Å; D518-Q522 PolarHBondContact O-N 3.22Å; R519-Q522 PolarHBondContact O-N 3.04Å; Q522-V524 VanDerWaalsContact C-N 3.29Å; Q522-V524 PolarHBondContact O-N 3.13Å; Q522-N525 PolarHBondContact O-N 3.48Å; Q522-N525 VanDerWaalsContact O-N 3.13Å; Q522-E526 WeakPolarHBondContact CG-OE1 3.33Å; Q522-E526 PolarHBondContact NE2-OE1 3.49Å; Q522-E526 WeakPolarHBondContact O-CG 3.26Å; Q522-E526 PolarHBondContact O-N 2.86Å
523	E	84.3	Confident	79	Confident	90 Å²	90	75.9 Å²	75.9	42%	0.421	40%	0.401	S	S	.	.	H	α-helix	trans	-54.6	-43.1	174.7	-77.3	172	-176.4	0	0	111.8	R519 L520 E526 E527 R686	R519-E523 WeakPolarHBondContact O-CB 3.43Å; R519-E523 VanDerWaalsContact O-CG 3.3Å; R519-E523 WeakPolarHBondContact O-CG 3.42Å; R519-E523 PolarHBondContact O-N 3.03Å; L520-E523 WeakPolarHBondContact CD2-OE2 3.46Å; E523-E526 PolarHBondContact O-N 2.78Å; E523-E527 WeakPolarHBondContact O-CG 3.44Å; E523-E527 PolarHBondContact O-N 2.94Å; E523-R686 IonicContact OE2-CZ 3.17Å; E523-R686 IonicContact OE2-NH1 3.11Å; E523-R686 PolarHBondContact OE2-NH1 3.5Å
524	V	86.4	Confident	80.7	Confident	5 Å²	5	77.9 Å²	77.9	3%	0.03	41%	0.406	C	S	.	.	H	α-helix	trans	-72.5	-33	178.3	172.3	0	0	0	0	112.4	L500 K503 R504 L507 L520 L521 Q522 E527 I528	L500-V524 HydrophobicContact CB-CG1 4.38Å; L500-V524 HydrophobicContact CD2-CG1 4.45Å; K503-V524 HydrophobicContact CD-CG2 4.38Å; R504-V524 HydrophobicContact CB-CG1 3.9Å; L507-V524 HydrophobicContact CD1-CG2 4.44Å; L520-V524 WeakPolarHBondContact O-CB 3.34Å; L520-V524 VanDerWaalsContact O-CG2 3.28Å; L520-V524 WeakPolarHBondContact O-CG2 3.25Å; L520-V524 PolarHBondContact O-N 3.04Å; L521-V524 PolarHBondContact O-N 3.09Å; Q522-V524 VanDerWaalsContact C-N 3.29Å; Q522-V524 PolarHBondContact O-N 3.13Å; V524-E527 PolarHBondContact O-N 3.12Å; V524-I528 HydrophobicContact CG1-CD1 3.9Å; V524-I528 WeakPolarHBondContact O-CB 3.34Å; V524-I528 WeakPolarHBondContact O-CD1 3.31Å; V524-I528 WeakPolarHBondContact O-CG1 3.31Å; V524-I528 PolarHBondContact O-N 2.91Å
525	N	87.1	Confident	82.5	Confident	57 Å²	57	73.1 Å²	73.1	31%	0.305	38%	0.375	S	S	.	.	H	α-helix	trans	-65	-45.5	171.7	-74.6	-27	0	0	0	111	R504 L521 Q522 E527 I528 E529	R504-N525 VanDerWaalsContact CD-OD1 3.28Å; R504-N525 WeakPolarHBondContact CD-OD1 3.45Å; R504-N525 PolarHBondContact NE-OD1 3.03Å; L521-N525 WeakPolarHBondContact O-CB 3.48Å; L521-N525 VanDerWaalsContact O-CG 3.23Å; L521-N525 PolarHBondContact O-N 3.49Å; L521-N525 PolarHBondContact O-ND2 3.27Å; Q522-N525 PolarHBondContact O-N 3.48Å; Q522-N525 VanDerWaalsContact O-N 3.13Å; N525-E527 VanDerWaalsContact C-N 3.35Å; N525-E527 PolarHBondContact O-N 3.03Å; N525-I528 PolarHBondContact O-N 3.14Å; N525-I528 VanDerWaalsContact O-N 3.11Å; N525-E529 WeakPolarHBondContact O-CG 3.41Å; N525-E529 PolarHBondContact O-N 3.24Å
526	E	91.7	Very high	84.3	Confident	103 Å²	103	69.6 Å²	69.6	48%	0.481	36%	0.361	S	S	.	.	H	α-helix	trans	-60.3	-41.7	175.5	-71	176.7	-160.1	0	0	111.4	Q522 E523 I528 E529 V530	Q522-E526 WeakPolarHBondContact CG-OE1 3.33Å; Q522-E526 PolarHBondContact NE2-OE1 3.49Å; Q522-E526 WeakPolarHBondContact O-CG 3.26Å; Q522-E526 PolarHBondContact O-N 2.86Å; E523-E526 PolarHBondContact O-N 2.78Å; E526-I528 PolarHBondContact O-N 3.43Å; E526-E529 PolarHBondContact O-N 2.78Å; E526-V530 WeakPolarHBondContact O-CB 3.36Å; E526-V530 VanDerWaalsContact O-CG2 3.32Å; E526-V530 WeakPolarHBondContact O-CG2 3.26Å; E526-V530 PolarHBondContact O-N 2.94Å
527	E	90.6	Very high	86.1	Confident	94 Å²	94	73.5 Å²	73.5	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-40	172.3	-74.2	-175.8	164.9	0	0	112.5	L500 E523 V524 N525 V530 L531	L500-E527 HydrophobicContact CD1-CB 3.8Å; E523-E527 WeakPolarHBondContact O-CG 3.44Å; E523-E527 PolarHBondContact O-N 2.94Å; V524-E527 PolarHBondContact O-N 3.12Å; N525-E527 VanDerWaalsContact C-N 3.35Å; N525-E527 PolarHBondContact O-N 3.03Å; E527-V530 PolarHBondContact O-N 3.19Å; E527-L531 WeakPolarHBondContact O-CG 3.12Å; E527-L531 PolarHBondContact O-N 3.42Å
528	I	90.1	Very high	87.7	Confident	17 Å²	17	70.7 Å²	70.7	9%	0.087	35%	0.349	C	S	.	.	H	α-helix	trans	-68.2	-39.6	177.3	-71.9	165.2	0	0	0	111.6	L500 V524 N525 E526 L531 N532	L500-I528 HydrophobicContact CB-CD1 4.15Å; L500-I528 HydrophobicContact CB-CG1 3.8Å; V524-I528 HydrophobicContact CG1-CD1 3.9Å; V524-I528 WeakPolarHBondContact O-CB 3.34Å; V524-I528 WeakPolarHBondContact O-CD1 3.31Å; V524-I528 WeakPolarHBondContact O-CG1 3.31Å; V524-I528 PolarHBondContact O-N 2.91Å; N525-I528 PolarHBondContact O-N 3.14Å; N525-I528 VanDerWaalsContact O-N 3.11Å; E526-I528 PolarHBondContact O-N 3.43Å; I528-L531 PolarHBondContact O-N 3.2Å; I528-N532 PolarHBondContact O-N 3.04Å; I528-N532 PolarHBondContact O-ND2 3.08Å
529	E	92.3	Very high	88.9	Confident	132 Å²	132	68.3 Å²	68.3	62%	0.617	34%	0.337	S	S	*	.	H	α-helix	trans	-64.9	-42.7	174.9	-74.4	-179.1	-168.6	0	0	111.8	N525 E526 L531 N532 A533	N525-E529 WeakPolarHBondContact O-CG 3.41Å; N525-E529 PolarHBondContact O-N 3.24Å; E526-E529 PolarHBondContact O-N 2.78Å; E529-L531 VanDerWaalsContact C-N 3.31Å; E529-L531 PolarHBondContact O-N 2.94Å; E529-N532 PolarHBondContact O-N 3.35Å; E529-A533 PolarHBondContact O-N 2.98Å
530	V	92.6	Very high	90	Very high	89 Å²	89	65.5 Å²	65.5	54%	0.539	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-38.3	173.1	170.1	0	0	0	0	111.3	E526 E527 N534	E526-V530 WeakPolarHBondContact O-CB 3.36Å; E526-V530 VanDerWaalsContact O-CG2 3.32Å; E526-V530 WeakPolarHBondContact O-CG2 3.26Å; E526-V530 PolarHBondContact O-N 2.94Å; E527-V530 PolarHBondContact O-N 3.19Å; V530-N534 PolarHBondContact O-N 3.24Å; V530-N534 VanDerWaalsContact O-N 3.09Å; V530-N534 PolarHBondContact O-ND2 2.88Å
531	L	91.4	Very high	90.8	Very high	18 Å²	18	64.1 Å²	64.1	9%	0.094	33%	0.329	C	S	.	.	H	α-helix	trans	-66.6	-42.8	173.9	-75.8	178.1	0	0	0	112.7	L493 Q496 Q497 L500 E527 I528 E529 A533 N534 I535	L493-L531 HydrophobicContact CD2-CD2 3.64Å; Q496-L531 HydrophobicContact CB-CD1 4Å; Q496-L531 HydrophobicContact CB-CD2 4.46Å; Q497-L531 HydrophobicContact CB-CD1 4.17Å; L500-L531 HydrophobicContact CD1-CD1 3.79Å; E527-L531 WeakPolarHBondContact O-CG 3.12Å; E527-L531 PolarHBondContact O-N 3.42Å; I528-L531 PolarHBondContact O-N 3.2Å; E529-L531 VanDerWaalsContact C-N 3.31Å; E529-L531 PolarHBondContact O-N 2.94Å; L531-A533 PolarHBondContact O-N 2.52Å; L531-N534 PolarHBondContact O-N 3.28Å; L531-I535 WeakPolarHBondContact O-CG1 3.45Å; L531-I535 PolarHBondContact O-N 2.81Å
532	N	91.6	Very high	91.4	Very high	59 Å²	59	63.5 Å²	63.5	32%	0.316	33%	0.325	S	S	.	.	H	α-helix	trans	-55.9	-51.7	173.6	-78.9	-59.3	0	0	0	111.1	Q497 I528 E529 N534 I535 D536	Q497-N532 PolarHBondContact NE2-OD1 2.96Å; I528-N532 PolarHBondContact O-N 3.04Å; I528-N532 PolarHBondContact O-ND2 3.08Å; E529-N532 PolarHBondContact O-N 3.35Å; N532-N534 VanDerWaalsContact C-N 3.26Å; N532-N534 PolarHBondContact O-N 2.99Å; N532-I535 WeakPolarHBondContact O-CA 3.23Å; N532-I535 WeakPolarHBondContact O-CB 3.34Å; N532-I535 PolarHBondContact O-N 2.57Å; N532-D536 PolarHBondContact O-N 3Å
533	A	94.1	Very high	91.9	Very high	63 Å²	63	61.4 Å²	61.4	52%	0.521	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-34.5	178.9	0	0	0	0	0	113.1	E529 L531 Y537	E529-A533 PolarHBondContact O-N 2.98Å; L531-A533 PolarHBondContact O-N 2.52Å; A533-Y537 WeakPolarHBondContact O-CB 3.29Å; A533-Y537 PolarHBondContact O-N 3.17Å; A533-Y537 VanDerWaalsContact O-N 3.07Å
534	N	92.9	Very high	92.4	Very high	63 Å²	63	62.4 Å²	62.4	34%	0.337	33%	0.332	S	S	.	.	H	α-helix	trans	-72.1	-33.3	173.6	-84.1	-81.9	0	0	0	113.2	L493 V530 L531 N532 I538	L493-N534 HydrophobicContact CD1-CB 3.86Å; V530-N534 PolarHBondContact O-N 3.24Å; V530-N534 VanDerWaalsContact O-N 3.09Å; V530-N534 PolarHBondContact O-ND2 2.88Å; L531-N534 PolarHBondContact O-N 3.28Å; N532-N534 VanDerWaalsContact C-N 3.26Å; N532-N534 PolarHBondContact O-N 2.99Å; N534-I538 WeakPolarHBondContact O-CG1 3.32Å; N534-I538 PolarHBondContact O-N 2.69Å
535	I	94	Very high	92.7	Very high	11 Å²	11	63.1 Å²	63.1	6%	0.056	34%	0.337	C	S	.	.	H	α-helix	trans	-69.6	-43.2	175.2	-74	164.7	0	0	0	110.1	R490 L493 Q497 L531 N532 I538 N539	R490-I535 HydrophobicContact CG-CG2 4.4Å; L493-I535 HydrophobicContact CB-CD1 4.09Å; L493-I535 HydrophobicContact CB-CG1 3.72Å; L493-I535 HydrophobicContact CD1-CG1 4.24Å; Q497-I535 HydrophobicContact CB-CD1 4.44Å; L531-I535 WeakPolarHBondContact O-CG1 3.45Å; L531-I535 PolarHBondContact O-N 2.81Å; N532-I535 WeakPolarHBondContact O-CA 3.23Å; N532-I535 WeakPolarHBondContact O-CB 3.34Å; N532-I535 PolarHBondContact O-N 2.57Å; I535-I538 CarbonylContact O-C 3.6Å; I535-I538 WeakPolarHBondContact O-CB 3.04Å; I535-I538 PolarHBondContact O-N 2.97Å; I535-I538 VanDerWaalsContact O-N 3.14Å; I535-N539 VanDerWaalsContact O-CG 3.27Å; I535-N539 PolarHBondContact O-N 2.95Å; I535-N539 PolarHBondContact O-ND2 3.46Å
536	D	93.3	Very high	92.8	Very high	87 Å²	87	65.5 Å²	65.5	47%	0.465	35%	0.346	S	S	.	.	H	α-helix	trans	-67.8	-40.9	178.5	-72	-28.6	0	0	0	112.4	N532 I538 N539 D540	N532-D536 PolarHBondContact O-N 3Å; D536-I538 PolarHBondContact O-N 3.42Å; D536-N539 WeakPolarHBondContact O-CA 3.29Å; D536-N539 WeakPolarHBondContact O-CB 3.47Å; D536-N539 PolarHBondContact O-N 3.31Å; D536-N539 PolarHBondContact OD1-ND2 2.73Å; D536-N539 VanDerWaalsContact OD1-ND2 3.16Å; D536-D540 PolarHBondContact O-N 2.89Å
537	Y	95.3	Very high	92.8	Very high	149 Å²	149	63.2 Å²	63.2	58%	0.584	35%	0.345	S	S	*	.	H	α-helix	trans	-57.1	-34.3	170	174.2	-104.6	0	0	0	113	A533 S541	A533-Y537 WeakPolarHBondContact O-CB 3.29Å; A533-Y537 PolarHBondContact O-N 3.17Å; A533-Y537 VanDerWaalsContact O-N 3.07Å; Y537-S541 WeakPolarHBondContact O-CB 3.39Å; Y537-S541 PolarHBondContact O-N 2.99Å; Y537-S541 PolarHBondContact O-OG 3.04Å
538	I	95.2	Very high	92.8	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-75	-35.9	173.4	-67.3	171.4	0	0	0	111.3	L486 K489 R490 L493 N534 I535 D536 S541 L542	L486-I538 HydrophobicContact CB-CG2 4.08Å; L486-I538 HydrophobicContact CD2-CG1 4.42Å; L486-I538 HydrophobicContact CD2-CG2 4.19Å; L486-I538 WeakPolarHBondContact O-CG2 3.44Å; K489-I538 HydrophobicContact CB-CD1 4.11Å; K489-I538 HydrophobicContact CD-CD1 3.63Å; K489-I538 HydrophobicContact CG-CD1 3.76Å; R490-I538 HydrophobicContact CB-CG2 3.92Å; L493-I538 HydrophobicContact CD1-CD1 3.58Å; N534-I538 WeakPolarHBondContact O-CG1 3.32Å; N534-I538 PolarHBondContact O-N 2.69Å; I535-I538 CarbonylContact O-C 3.6Å; I535-I538 WeakPolarHBondContact O-CB 3.04Å; I535-I538 PolarHBondContact O-N 2.97Å; I535-I538 VanDerWaalsContact O-N 3.14Å; D536-I538 PolarHBondContact O-N 3.42Å; I538-S541 PolarHBondContact O-N 3.35Å; I538-L542 HydrophobicContact CG2-CD1 3.91Å; I538-L542 HydrophobicContact CG2-CG 4.17Å; I538-L542 WeakPolarHBondContact O-CB 3.43Å; I538-L542 WeakPolarHBondContact O-CG 3.47Å; I538-L542 PolarHBondContact O-N 2.83Å
539	N	93.1	Very high	92.8	Very high	42 Å²	42	61.6 Å²	61.6	23%	0.225	34%	0.341	C	S	.	.	H	α-helix	trans	-60.8	-44	174.3	-66.5	-36.5	0	0	0	111.5	R490 I535 D536 L542 S543	R490-N539 WeakPolarHBondContact CD-OD1 3.39Å; R490-N539 PolarHBondContact NE-OD1 3.01Å; R490-N539 PolarHBondContact NH1-OD1 3.29Å; I535-N539 VanDerWaalsContact O-CG 3.27Å; I535-N539 PolarHBondContact O-N 2.95Å; I535-N539 PolarHBondContact O-ND2 3.46Å; D536-N539 WeakPolarHBondContact O-CA 3.29Å; D536-N539 WeakPolarHBondContact O-CB 3.47Å; D536-N539 PolarHBondContact O-N 3.31Å; D536-N539 PolarHBondContact OD1-ND2 2.73Å; D536-N539 VanDerWaalsContact OD1-ND2 3.16Å; N539-L542 PolarHBondContact O-N 3.32Å; N539-S543 PolarHBondContact O-N 2.77Å
540	D	95.4	Very high	92.6	Very high	111 Å²	111	58.9 Å²	58.9	59%	0.594	33%	0.333	S	S	*	.	H	α-helix	trans	-62.5	-47.2	173.2	-72.3	-18.1	0	0	0	111.2	D536 L542 S543 D544	D536-D540 PolarHBondContact O-N 2.89Å; D540-L542 VanDerWaalsContact C-N 3.27Å; D540-L542 PolarHBondContact O-N 3.47Å; D540-S543 WeakPolarHBondContact O-CA 3.44Å; D540-S543 WeakPolarHBondContact O-CB 3.42Å; D540-S543 PolarHBondContact O-N 2.99Å; D540-D544 PolarHBondContact O-N 3.31Å
541	S	93.8	Very high	92.3	Very high	20 Å²	20	60.9 Å²	60.9	14%	0.14	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-34.8	177	-58.9	0	0	0	0	113	Y537 I538 C545	Y537-S541 WeakPolarHBondContact O-CB 3.39Å; Y537-S541 PolarHBondContact O-N 2.99Å; Y537-S541 PolarHBondContact O-OG 3.04Å; I538-S541 PolarHBondContact O-N 3.35Å; S541-C545 PolarHBondContact O-N 3.45Å; S541-C545 VanDerWaalsContact O-N 3.13Å; S541-C545 PolarHBondContact O-SG 2.85Å
542	L	92.2	Very high	92	Very high	12 Å²	12	61.4 Å²	61.4	6%	0.063	34%	0.339	C	S	.	.	H	α-helix	trans	-70.4	-38.8	173.6	-74.1	169.3	0	0	0	111.5	M483 L486 I487 I538 N539 D540 C545 Q546	M483-L542 HydrophobicContact CB-CD2 4.41Å; M483-L542 HydrophobicContact CG-CD2 3.57Å; L486-L542 HydrophobicContact CB-CD2 3.48Å; L486-L542 VanDerWaalsContact CB-CD2 3.48Å; L486-L542 HydrophobicContact CB-CG 3.93Å; L486-L542 HydrophobicContact CD1-CD2 4.26Å; I487-L542 HydrophobicContact CG1-CD1 4.34Å; I487-L542 HydrophobicContact CG1-CD2 3.83Å; I538-L542 HydrophobicContact CG2-CD1 3.91Å; I538-L542 HydrophobicContact CG2-CG 4.17Å; I538-L542 WeakPolarHBondContact O-CB 3.43Å; I538-L542 WeakPolarHBondContact O-CG 3.47Å; I538-L542 PolarHBondContact O-N 2.83Å; N539-L542 PolarHBondContact O-N 3.32Å; D540-L542 VanDerWaalsContact C-N 3.27Å; D540-L542 PolarHBondContact O-N 3.47Å; L542-C545 PolarHBondContact O-N 2.71Å; L542-Q546 VanDerWaalsContact O-CG 3.3Å; L542-Q546 WeakPolarHBondContact O-CG 3.41Å; L542-Q546 PolarHBondContact O-N 3.49Å
543	S	93	Very high	91.4	Very high	68 Å²	68	63 Å²	63	48%	0.476	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-43.2	173.6	-173.5	0	0	0	0	111.5	N539 D540 C545 Q546 A547	N539-S543 PolarHBondContact O-N 2.77Å; D540-S543 WeakPolarHBondContact O-CA 3.44Å; D540-S543 WeakPolarHBondContact O-CB 3.42Å; D540-S543 PolarHBondContact O-N 2.99Å; S543-C545 PolarHBondContact O-N 3.24Å; S543-Q546 PolarHBondContact O-N 2.76Å; S543-A547 WeakPolarHBondContact O-CB 3.27Å; S543-A547 PolarHBondContact O-N 3.06Å
544	D	93.9	Very high	90.8	Very high	111 Å²	111	66.6 Å²	66.6	59%	0.594	35%	0.351	S	S	*	.	H	α-helix	trans	-63.1	-40.3	175.3	-82.8	-11.2	0	0	0	112.3	D540 T548	D540-D544 PolarHBondContact O-N 3.31Å; D544-T548 WeakPolarHBondContact O-CB 3.43Å; D544-T548 PolarHBondContact O-N 3.33Å; D544-T548 PolarHBondContact O-OG1 3.15Å
545	C	92.2	Very high	89.6	Confident	20 Å²	20	66.7 Å²	66.7	14%	0.135	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-44.6	173.5	-72.6	0	0	0	0	111.6	V479 M483 S541 L542 S543 T548 I549	V479-C545 HydrophobicContact CG1-CB 3.81Å; V479-C545 WeakPolarHBondContact CG1-O 3.49Å; M483-C545 HydrophobicContact CB-CB 4.24Å; M483-C545 HydrophobicContact CG-CB 4.46Å; S541-C545 PolarHBondContact O-N 3.45Å; S541-C545 VanDerWaalsContact O-N 3.13Å; S541-C545 PolarHBondContact O-SG 2.85Å; L542-C545 PolarHBondContact O-N 2.71Å; S543-C545 PolarHBondContact O-N 3.24Å; C545-T548 PolarHBondContact O-N 3.04Å; C545-I549 WeakPolarHBondContact O-CG1 3.47Å; C545-I549 PolarHBondContact O-N 3.38Å
546	Q	90.4	Very high	88.4	Confident	106 Å²	106	69.8 Å²	69.8	50%	0.495	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-44.3	177.2	-72	171.8	16.9	0	0	112.1	M483 L542 S543 T548 I549 V550	M483-Q546 HydrophobicContact SD-CG 3.86Å; L542-Q546 VanDerWaalsContact O-CG 3.3Å; L542-Q546 WeakPolarHBondContact O-CG 3.41Å; L542-Q546 PolarHBondContact O-N 3.49Å; S543-Q546 PolarHBondContact O-N 2.76Å; Q546-T548 VanDerWaalsContact C-N 3.31Å; Q546-T548 PolarHBondContact O-N 2.63Å; Q546-I549 PolarHBondContact O-N 2.85Å; Q546-V550 WeakPolarHBondContact O-CG2 3.37Å; Q546-V550 PolarHBondContact O-N 2.84Å
547	A	92.2	Very high	86.7	Confident	56 Å²	56	71.6 Å²	71.6	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-60.8	-40.2	175.1	0	0	0	0	0	111.9	S543 V550 Q551	S543-A547 WeakPolarHBondContact O-CB 3.27Å; S543-A547 PolarHBondContact O-N 3.06Å; A547-V550 PolarHBondContact O-N 3.14Å; A547-Q551 WeakPolarHBondContact O-CB 3.47Å; A547-Q551 PolarHBondContact O-N 2.96Å
548	T	90.5	Very high	85	Confident	54 Å²	54	71.6 Å²	71.6	33%	0.331	38%	0.382	S	S	.	.	H	α-helix	trans	-64	-43.2	175.5	-58.1	0	0	0	0	111.8	V479 D544 C545 Q546 I552	V479-T548 HydrophobicContact CG2-CG2 4.19Å; D544-T548 WeakPolarHBondContact O-CB 3.43Å; D544-T548 PolarHBondContact O-N 3.33Å; D544-T548 PolarHBondContact O-OG1 3.15Å; C545-T548 PolarHBondContact O-N 3.04Å; Q546-T548 VanDerWaalsContact C-N 3.31Å; Q546-T548 PolarHBondContact O-N 2.63Å; T548-I552 HydrophobicContact CG2-CD1 4.06Å; T548-I552 WeakPolarHBondContact O-CD1 3.28Å; T548-I552 VanDerWaalsContact O-CG1 3.29Å; T548-I552 WeakPolarHBondContact O-CG1 3.4Å; T548-I552 PolarHBondContact O-N 2.87Å
549	I	89.4	Confident	83.1	Confident	23 Å²	23	73.8 Å²	73.8	12%	0.118	39%	0.393	C	S	.	.	H	α-helix	trans	-62.7	-49.2	175.5	-69.3	166.1	0	0	0	110.3	V479 E480 M483 C545 Q546 Q551 I552 E553	V479-I549 HydrophobicContact CB-CG1 4.21Å; V479-I549 HydrophobicContact CG1-CD1 3.96Å; V479-I549 HydrophobicContact CG1-CG1 3.78Å; E480-I549 HydrophobicContact CG-CD1 4.01Å; M483-I549 HydrophobicContact CE-CD1 4.41Å; M483-I549 HydrophobicContact SD-CD1 4.48Å; C545-I549 WeakPolarHBondContact O-CG1 3.47Å; C545-I549 PolarHBondContact O-N 3.38Å; Q546-I549 PolarHBondContact O-N 2.85Å; I549-Q551 PolarHBondContact O-N 3.29Å; I549-I552 PolarHBondContact O-N 3.47Å; I549-I552 VanDerWaalsContact O-N 3.16Å; I549-E553 HydrophobicContact CG2-CG 4.31Å; I549-E553 WeakPolarHBondContact O-CG 3.19Å; I549-E553 PolarHBondContact O-N 3.44Å
550	V	89.1	Confident	81.2	Confident	75 Å²	75	76.4 Å²	76.4	46%	0.455	41%	0.407	S	S	.	.	H	α-helix	trans	-58.2	-44.9	178.8	171	0	0	0	0	111.3	Q546 A547 I552 E553 E554	Q546-V550 WeakPolarHBondContact O-CG2 3.37Å; Q546-V550 PolarHBondContact O-N 2.84Å; A547-V550 PolarHBondContact O-N 3.14Å; V550-I552 VanDerWaalsContact C-N 3.3Å; V550-I552 PolarHBondContact O-N 2.96Å; V550-E553 CarbonylContact O-C 3.58Å; V550-E553 PolarHBondContact O-N 2.9Å; V550-E553 VanDerWaalsContact O-N 3.14Å; V550-E554 HydrophobicContact CG1-CG 4.16Å; V550-E554 WeakPolarHBondContact O-CB 3.49Å; V550-E554 WeakPolarHBondContact O-CG 3.38Å; V550-E554 PolarHBondContact O-N 2.93Å
551	Q	86.3	Confident	79.1	Confident	130 Å²	130	75.2 Å²	75.2	61%	0.607	41%	0.408	S	S	*	.	H	α-helix	trans	-62.1	-34.8	178.4	-170.1	179.4	20.4	0	0	113.1	A547 I549 T555	A547-Q551 WeakPolarHBondContact O-CB 3.47Å; A547-Q551 PolarHBondContact O-N 2.96Å; I549-Q551 PolarHBondContact O-N 3.29Å; Q551-T555 WeakPolarHBondContact O-CG2 3.5Å; Q551-T555 PolarHBondContact O-N 3.02Å; Q551-T555 PolarHBondContact O-OG1 3.15Å
552	I	83.2	Confident	77.2	Confident	29 Å²	29	78.8 Å²	78.8	15%	0.149	43%	0.428	C	S	.	.	H	α-helix	trans	-77.9	-32.2	176.2	-58.5	165.7	0	0	0	110.8	Q472 T475 I476 T548 I549 V550 T555 K556	Q472-I552 HydrophobicContact CB-CG2 4.33Å; Q472-I552 HydrophobicContact CG-CG2 4.4Å; T475-I552 HydrophobicContact CG2-CD1 3.67Å; I476-I552 HydrophobicContact CD1-CB 4.46Å; I476-I552 HydrophobicContact CD1-CG2 3.82Å; I476-I552 HydrophobicContact CG1-CB 4.22Å; I476-I552 HydrophobicContact CG1-CD1 4.49Å; I476-I552 HydrophobicContact CG1-CG2 3.81Å; T548-I552 HydrophobicContact CG2-CD1 4.06Å; T548-I552 WeakPolarHBondContact O-CD1 3.28Å; T548-I552 VanDerWaalsContact O-CG1 3.29Å; T548-I552 WeakPolarHBondContact O-CG1 3.4Å; T548-I552 PolarHBondContact O-N 2.87Å; I549-I552 PolarHBondContact O-N 3.47Å; I549-I552 VanDerWaalsContact O-N 3.16Å; V550-I552 VanDerWaalsContact C-N 3.3Å; V550-I552 PolarHBondContact O-N 2.96Å; I552-T555 PolarHBondContact O-OG1 3.46Å; I552-K556 PolarHBondContact O-N 3.06Å
553	E	80.1	Confident	75.5	Confident	92 Å²	92	82.1 Å²	82.1	43%	0.43	45%	0.447	S	S	.	.	H	α-helix	trans	-74.6	-31.2	174.1	-71.1	-130.9	100.6	0	0	113.5	I476 I549 V550 K556	I476-E553 HydrophobicContact CD1-CG 4.44Å; I549-E553 HydrophobicContact CG2-CG 4.31Å; I549-E553 WeakPolarHBondContact O-CG 3.19Å; I549-E553 PolarHBondContact O-N 3.44Å; V550-E553 CarbonylContact O-C 3.58Å; V550-E553 PolarHBondContact O-N 2.9Å; V550-E553 VanDerWaalsContact O-N 3.14Å; E553-K556 WeakPolarHBondContact O-CB 3.44Å; E553-K556 PolarHBondContact O-N 3.36Å; E553-K556 IonicContact OE1-NZ 3.21Å; E553-K556 PolarHBondContact OE1-NZ 3.37Å
554	E	80.6	Confident	74	Confident	139 Å²	139	82.5 Å²	82.5	65%	0.65	45%	0.446	S	S	*	.	H	α-helix	trans	-70.3	-38.8	173.6	-74.2	178.2	165.3	0	0	111.5	V550 K556	V550-E554 HydrophobicContact CG1-CG 4.16Å; V550-E554 WeakPolarHBondContact O-CB 3.49Å; V550-E554 WeakPolarHBondContact O-CG 3.38Å; V550-E554 PolarHBondContact O-N 2.93Å; E554-K556 PolarHBondContact O-N 2.9Å
555	T	69.2	Low	72.4	Confident	66 Å²	66	79.9 Å²	79.9	41%	0.405	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.2	176.9	50.8	0	0	0	0	114.2	Q551 I552	Q551-T555 WeakPolarHBondContact O-CG2 3.5Å; Q551-T555 PolarHBondContact O-N 3.02Å; Q551-T555 PolarHBondContact O-OG1 3.15Å; I552-T555 PolarHBondContact O-OG1 3.46Å
556	K	67.6	Low	71	Confident	76 Å²	76	83.1 Å²	83.1	33%	0.33	46%	0.455	S	S	.	.	H	α-helix	trans	-71.1	-35.3	176.9	-174.6	178.7	163	-165.1	0	112.8	I552 E553 E554 E558 L559 D560	I552-K556 PolarHBondContact O-N 3.06Å; E553-K556 WeakPolarHBondContact O-CB 3.44Å; E553-K556 PolarHBondContact O-N 3.36Å; E553-K556 IonicContact OE1-NZ 3.21Å; E553-K556 PolarHBondContact OE1-NZ 3.37Å; E554-K556 PolarHBondContact O-N 2.9Å; K556-E558 PolarHBondContact O-N 3.21Å; K556-L559 PolarHBondContact O-N 3.31Å; K556-D560 PolarHBondContact O-N 3.17Å
557	D	58.7	Low	69.8	Low	124 Å²	124	80.4 Å²	80.4	66%	0.663	45%	0.446	S	S	*	.	H	α-helix	trans	-64.7	-30.7	-179.9	-81.5	-10.1	0	0	0	111.6	S561	D557-S561 WeakPolarHBondContact O-CB 3.38Å; D557-S561 PolarHBondContact O-N 2.72Å; D557-S561 VanDerWaalsContact O-N 3.16Å; D557-S561 PolarHBondContact O-OG 3.5Å
558	E	57.9	Low	68.5	Low	150 Å²	150	83.7 Å²	83.7	70%	0.701	45%	0.454	S	S	*	.	H	α-helix	trans	-68.5	-34.6	170.3	-61.4	-163.6	150.9	0	0	112.6	K556 S561	K556-E558 PolarHBondContact O-N 3.21Å; E558-S561 PolarHBondContact O-OG 2.91Å
559	L	56	Low	67.3	Low	45 Å²	45	85.6 Å²	85.6	24%	0.236	47%	0.47	C	S	.	.	H	α-helix	trans	-88.1	-24.9	-175.7	-156.2	71.1	0	0	0	114.1	R465 D468 I469 K556	R465-L559 PolarHBondContact NE-O 3.45Å; R465-L559 PolarHBondContact NH2-O 3.03Å; D468-L559 HydrophobicContact CB-CD2 4.48Å; I469-L559 HydrophobicContact CG1-CD2 3.66Å; I469-L559 HydrophobicContact CG1-CG 4.34Å; K556-L559 PolarHBondContact O-N 3.31Å
560	D	54.3	Low	66.5	Low	97 Å²	97	87.9 Å²	87.9	52%	0.519	49%	0.488	S	S	.	.	H	α-helix	trans	-84.9	-31.6	171.4	-89.6	-27.1	0	0	0	112.3	K556 V562	K556-D560 PolarHBondContact O-N 3.17Å; D560-V562 PolarHBondContact O-N 3.07Å
561	S	50.7	Low	65.8	Low	86 Å²	86	85.4 Å²	85.4	60%	0.601	47%	0.474	S	S	*	.	H	α-helix	trans	-70.1	-23.2	-175.6	59	0	0	0	0	115.9	D557 E558 D563	D557-S561 WeakPolarHBondContact O-CB 3.38Å; D557-S561 PolarHBondContact O-N 2.72Å; D557-S561 VanDerWaalsContact O-N 3.16Å; D557-S561 PolarHBondContact O-OG 3.5Å; E558-S561 PolarHBondContact O-OG 2.91Å; S561-D563 PolarHBondContact O-N 3.25Å
562	V	54.8	Low	65.5	Low	95 Å²	95	82.3 Å²	82.3	58%	0.576	47%	0.467	S	S	*	.	S	Bend	trans	-68.7	103.7	175.2	178.4	0	0	0	0	109.4	R465 D560 T564	R465-V562 PolarHBondContact NH1-O 2.94Å; R465-V562 PolarHBondContact NH2-O 3.41Å; D560-V562 PolarHBondContact O-N 3.07Å; V562-T564 PolarHBondContact O-N 3.15Å
563	D	55.8	Low	65.3	Low	83 Å²	83	88.5 Å²	88.5	44%	0.444	50%	0.499	S	S	.	.			trans	-62.5	118.4	-161.2	-159.8	-14.8	0	0	0	114.3	S561 S565 V566	S561-D563 PolarHBondContact O-N 3.25Å; D563-S565 PolarHBondContact O-N 2.7Å; D563-S565 WeakPolarHBondContact OD1-CA 3.37Å; D563-S565 WeakPolarHBondContact OD1-CB 3.47Å; D563-S565 PolarHBondContact OD1-N 3.42Å; D563-S565 PolarHBondContact OD1-OG 3.09Å; D563-S565 PolarHBondContact OD2-OG 3.26Å; D563-V566 HydrophobicContact CB-CB 4.48Å; D563-V566 HydrophobicContact CB-CG2 3.98Å; D563-V566 WeakPolarHBondContact O-CB 3.5Å; D563-V566 PolarHBondContact O-N 2.96Å
564	T	60.4	Low	65.2	Low	76 Å²	76	87.1 Å²	87.1	47%	0.466	50%	0.503	S	S	.	.	H	α-helix	trans	-64.4	-22.4	171.3	58.3	0	0	0	0	111.5	V562 V566 V567 I568	V562-T564 PolarHBondContact O-N 3.15Å; T564-V566 VanDerWaalsContact C-N 3.26Å; T564-V566 PolarHBondContact O-N 2.9Å; T564-V567 PolarHBondContact O-N 3.31Å; T564-I568 WeakPolarHBondContact O-CG1 3.29Å; T564-I568 PolarHBondContact O-N 3.05Å; T564-I568 VanDerWaalsContact O-N 3.08Å
565	S	60	Low	65.1	Low	56 Å²	56	81.4 Å²	81.4	39%	0.392	48%	0.476	S	S	.	.	H	α-helix	trans	-63.8	-28.3	171.9	96.8	0	0	0	0	112.5	D563 I568 S569	D563-S565 PolarHBondContact O-N 2.7Å; D563-S565 WeakPolarHBondContact OD1-CA 3.37Å; D563-S565 WeakPolarHBondContact OD1-CB 3.47Å; D563-S565 PolarHBondContact OD1-N 3.42Å; D563-S565 PolarHBondContact OD1-OG 3.09Å; D563-S565 PolarHBondContact OD2-OG 3.26Å; S565-I568 PolarHBondContact O-N 2.74Å; S565-S569 WeakPolarHBondContact O-CB 3.35Å; S565-S569 PolarHBondContact O-N 3.35Å; S565-S569 PolarHBondContact O-OG 3.09Å
566	V	64.8	Low	65.6	Low	87 Å²	87	79.8 Å²	79.8	53%	0.527	47%	0.47	S	S	.	.	H	α-helix	trans	-70.3	-37.5	174.9	169.1	0	0	0	0	111.2	D563 T564 S569 S570	D563-V566 HydrophobicContact CB-CB 4.48Å; D563-V566 HydrophobicContact CB-CG2 3.98Å; D563-V566 WeakPolarHBondContact O-CB 3.5Å; D563-V566 PolarHBondContact O-N 2.96Å; T564-V566 VanDerWaalsContact C-N 3.26Å; T564-V566 PolarHBondContact O-N 2.9Å; V566-S569 WeakPolarHBondContact CA-OG 3.47Å; V566-S569 PolarHBondContact O-OG 3.27Å; V566-S570 VanDerWaalsContact O-CB 3.24Å; V566-S570 WeakPolarHBondContact O-CB 3.46Å; V566-S570 PolarHBondContact O-N 3.46Å; V566-S570 VanDerWaalsContact O-N 3.13Å; V566-S570 PolarHBondContact O-OG 3.38Å
567	V	64.3	Low	66.3	Low	50 Å²	50	85.7 Å²	85.7	30%	0.303	49%	0.49	S	S	.	.	H	α-helix	trans	-67.5	-39.1	173.7	-176.2	0	0	0	0	110.8	T564 S570 C571	T564-V567 PolarHBondContact O-N 3.31Å; V567-S570 PolarHBondContact O-OG 3.48Å; V567-C571 PolarHBondContact O-SG 2.98Å
568	I	64.6	Low	67.2	Low	124 Å²	124	84 Å²	84	64%	0.636	48%	0.478	S	S	*	.	H	α-helix	trans	-72.8	-46.8	-179.5	-67.1	165.9	0	0	0	111.7	T564 S565 S570 C571	T564-I568 WeakPolarHBondContact O-CG1 3.29Å; T564-I568 PolarHBondContact O-N 3.05Å; T564-I568 VanDerWaalsContact O-N 3.08Å; S565-I568 PolarHBondContact O-N 2.74Å; I568-S570 VanDerWaalsContact C-N 3.34Å; I568-S570 PolarHBondContact O-N 3.29Å; I568-C571 WeakPolarHBondContact O-CB 3.37Å; I568-C571 PolarHBondContact O-N 3.12Å
569	S	66.6	Low	68.3	Low	95 Å²	95	78 Å²	78	66%	0.664	45%	0.451	S	S	*	.	H	α-helix	trans	-68.9	-29.5	-179.3	57.8	0	0	0	0	113.3	S565 V566 C571	S565-S569 WeakPolarHBondContact O-CB 3.35Å; S565-S569 PolarHBondContact O-N 3.35Å; S565-S569 PolarHBondContact O-OG 3.09Å; V566-S569 WeakPolarHBondContact CA-OG 3.47Å; V566-S569 PolarHBondContact O-OG 3.27Å; S569-C571 VanDerWaalsContact C-N 3.26Å; S569-C571 PolarHBondContact O-N 3.09Å
570	S	71.1	Confident	69.6	Low	70 Å²	70	81.1 Å²	81.1	49%	0.49	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	2.6	173.5	65.8	0	0	0	0	114.4	K458 V566 V567 I568	K458-S570 PolarHBondContact NZ-O 3.09Å; V566-S570 VanDerWaalsContact O-CB 3.24Å; V566-S570 WeakPolarHBondContact O-CB 3.46Å; V566-S570 PolarHBondContact O-N 3.46Å; V566-S570 VanDerWaalsContact O-N 3.13Å; V566-S570 PolarHBondContact O-OG 3.38Å; V567-S570 PolarHBondContact O-OG 3.48Å; I568-S570 VanDerWaalsContact C-N 3.34Å; I568-S570 PolarHBondContact O-N 3.29Å
571	C	74.6	Confident	71	Confident	23 Å²	23	81.7 Å²	81.7	16%	0.155	47%	0.47	C	S	.	.			trans	-92.6	127.7	176.9	-77.4	0	0	0	0	113.2	V567 I568 S569 E575 A576 L579	V567-C571 PolarHBondContact O-SG 2.98Å; I568-C571 WeakPolarHBondContact O-CB 3.37Å; I568-C571 PolarHBondContact O-N 3.12Å; S569-C571 VanDerWaalsContact C-N 3.26Å; S569-C571 PolarHBondContact O-N 3.09Å; C571-E575 HydrophobicContact CB-CB 4.44Å; C571-A576 HydrophobicContact CB-CB 4.32Å; C571-L579 VanDerWaalsContact SG-CD1 3.53Å
572	S	79.9	Confident	72.6	Confident	66 Å²	66	81.9 Å²	81.9	46%	0.462	46%	0.461	S	S	.	.			trans	-71	157.7	164.1	74.6	0	0	0	0	111	A574 E575 A576	S572-A574 PolarHBondContact O-N 3.46Å; S572-A574 VanDerWaalsContact O-N 3.07Å; S572-E575 WeakPolarHBondContact O-CA 3.44Å; S572-E575 PolarHBondContact O-N 3.06Å; S572-A576 PolarHBondContact O-N 3.06Å
573	L	79.3	Confident	74.1	Confident	158 Å²	158	82.3 Å²	82.3	83%	0.827	46%	0.456	S	S	*	.	H	α-helix	trans	-53.3	-33	-178.1	-177.3	63.3	0	0	0	113.9	R577	L573-R577 WeakPolarHBondContact O-CB 3.37Å; L573-R577 PolarHBondContact O-N 3.34Å; L573-R577 VanDerWaalsContact O-N 3.17Å
574	A	77.3	Confident	75.5	Confident	63 Å²	63	83.4 Å²	83.4	52%	0.521	46%	0.461	S	S	.	.	H	α-helix	trans	-71.3	-38.8	176	0	0	0	0	0	112.4	S572 H578	S572-A574 PolarHBondContact O-N 3.46Å; S572-A574 VanDerWaalsContact O-N 3.07Å; A574-H578 PolarHBondContact O-CD2 3.48Å; A574-H578 PolarHBondContact O-N 3.2Å
575	E	79.2	Confident	76.9	Confident	19 Å²	19	86.1 Å²	86.1	9%	0.089	47%	0.466	C	S	.	.	H	α-helix	trans	-72.4	-44.1	177.6	-58.5	-167.6	132.8	0	0	111.2	S452 S454 A455 K458 C571 S572 R577 H578 L579	S452-E575 PolarHBondContact OG-OE1 2.97Å; S454-E575 WeakPolarHBondContact CB-OE1 3.41Å; S454-E575 PolarHBondContact OG-OE1 3.28Å; S454-E575 PolarHBondContact OG-OE2 3.45Å; A455-E575 HydrophobicContact CB-CB 4.12Å; A455-E575 HydrophobicContact CB-CG 4Å; A455-E575 PolarHBondContact N-OE1 3.4Å; K458-E575 IonicContact NZ-OE2 2.94Å; K458-E575 PolarHBondContact NZ-OE2 3.22Å; C571-E575 HydrophobicContact CB-CB 4.44Å; S572-E575 WeakPolarHBondContact O-CA 3.44Å; S572-E575 PolarHBondContact O-N 3.06Å; E575-R577 VanDerWaalsContact C-N 3.27Å; E575-R577 PolarHBondContact O-N 3.16Å; E575-H578 PolarHBondContact O-N 3.47Å; E575-L579 WeakPolarHBondContact O-CG 3.28Å; E575-L579 PolarHBondContact O-N 3.28Å
576	A	80.9	Confident	78.1	Confident	33 Å²	33	85 Å²	85	27%	0.273	46%	0.46	S	S	.	.	H	α-helix	trans	-56.1	-41.7	174.5	0	0	0	0	0	111.9	C571 S572 H578 L579 L580	C571-A576 HydrophobicContact CB-CB 4.32Å; S572-A576 PolarHBondContact O-N 3.06Å; A576-H578 VanDerWaalsContact C-N 3.35Å; A576-H578 PolarHBondContact O-N 3.48Å; A576-L579 PolarHBondContact O-N 3.23Å; A576-L580 WeakPolarHBondContact O-CG 3.38Å; A576-L580 PolarHBondContact O-N 3.05Å
577	R	81.4	Confident	79.1	Confident	200 Å²	200	83.4 Å²	83.4	76%	0.755	45%	0.453	S	S	*	.	H	α-helix	trans	-63.3	-37.1	175.1	-174.3	173	-178.7	152.6	3.7	113	L573 E575 D581	L573-R577 WeakPolarHBondContact O-CB 3.37Å; L573-R577 PolarHBondContact O-N 3.34Å; L573-R577 VanDerWaalsContact O-N 3.17Å; E575-R577 VanDerWaalsContact C-N 3.27Å; E575-R577 PolarHBondContact O-N 3.16Å; R577-D581 WeakPolarHBondContact O-CB 3.25Å; R577-D581 PolarHBondContact O-N 3.34Å
578	H	77.7	Confident	80.3	Confident	89 Å²	89	86 Å²	86	41%	0.412	46%	0.464	S	S	.	.	H	α-helix	trans	-72.9	-37.1	176.1	-79.2	-59.2	0	0	0	113	A574 E575 A576 D581 H582	A574-H578 PolarHBondContact O-CD2 3.48Å; A574-H578 PolarHBondContact O-N 3.2Å; E575-H578 PolarHBondContact O-N 3.47Å; A576-H578 VanDerWaalsContact C-N 3.35Å; A576-H578 PolarHBondContact O-N 3.48Å; H578-D581 PolarHBondContact O-N 3.31Å; H578-H582 PolarHBondContact O-N 3.22Å; H578-H582 VanDerWaalsContact O-N 3.12Å
579	L	80.8	Confident	81.5	Confident	24 Å²	24	83.9 Å²	83.9	13%	0.126	45%	0.454	C	S	.	.	H	α-helix	trans	-64.1	-42.1	175	-67.3	174.3	0	0	0	111.4	K458 W459 C571 E575 A576 H582 F583	K458-L579 HydrophobicContact CB-CD2 4.39Å; W459-L579 HydrophobicContact CB-CD2 3.76Å; W459-L579 HydrophobicContact CE3-CD2 4.07Å; C571-L579 VanDerWaalsContact SG-CD1 3.53Å; E575-L579 WeakPolarHBondContact O-CG 3.28Å; E575-L579 PolarHBondContact O-N 3.28Å; A576-L579 PolarHBondContact O-N 3.23Å; L579-H582 PolarHBondContact O-N 3.26Å; L579-F583 VanDerWaalsContact O-CB 3.28Å; L579-F583 WeakPolarHBondContact O-CB 3.14Å; L579-F583 PolarHBondContact O-N 2.84Å
580	L	83.9	Confident	82.4	Confident	109 Å²	109	85.4 Å²	85.4	57%	0.571	45%	0.449	S	S	*	.	H	α-helix	trans	-64	-38.5	176.2	-72.7	168.6	0	0	0	113	A576 F583 L584	A576-L580 WeakPolarHBondContact O-CG 3.38Å; A576-L580 PolarHBondContact O-N 3.05Å; L580-F583 PolarHBondContact O-N 2.98Å; L580-L584 WeakPolarHBondContact O-CB 3.49Å; L580-L584 WeakPolarHBondContact O-CG 3.07Å; L580-L584 PolarHBondContact O-N 2.84Å
581	D	83.6	Confident	82.7	Confident	109 Å²	109	85.6 Å²	85.6	58%	0.583	45%	0.45	S	S	*	.	H	α-helix	trans	-65.8	-45.2	178.5	-161.8	58.1	0	0	0	111.4	R577 H578 K585	R577-D581 WeakPolarHBondContact O-CB 3.25Å; R577-D581 PolarHBondContact O-N 3.34Å; H578-D581 PolarHBondContact O-N 3.31Å; D581-K585 PolarHBondContact O-N 2.89Å; D581-K585 VanDerWaalsContact O-N 3.09Å
582	H	84.8	Confident	83.5	Confident	91 Å²	91	89.2 Å²	89.2	42%	0.421	47%	0.467	S	S	.	.	H	α-helix	trans	-63.9	-43.2	172	-100.6	-102.5	0	0	0	112.6	W459 H578 L579 L584 K585 A586	W459-H582 AromaticContact CD1-ND1 3.88Å; W459-H582 HydrophobicContact CD2-CB 3.77Å; W459-H582 AromaticContact CE2-ND1 3.93Å; W459-H582 HydrophobicContact CE3-CB 3.82Å; W459-H582 HydrophobicContact CG-CB 4.39Å; W459-H582 HydrophobicContact CH2-CB 4.31Å; W459-H582 HydrophobicContact CZ2-CB 4.24Å; W459-H582 HydrophobicContact CZ3-CB 4.1Å; W459-H582 AromaticContact NE1-ND1 3.7Å; H578-H582 PolarHBondContact O-N 3.22Å; H578-H582 VanDerWaalsContact O-N 3.12Å; L579-H582 PolarHBondContact O-N 3.26Å; H582-L584 PolarHBondContact O-N 2.85Å; H582-K585 PolarHBondContact O-N 3.21Å; H582-A586 WeakPolarHBondContact O-CB 3.35Å; H582-A586 PolarHBondContact O-N 3.05Å
583	F	85.3	Confident	84	Confident	103 Å²	103	90.4 Å²	90.4	45%	0.452	47%	0.466	S	S	.	.	H	α-helix	trans	-63.2	-42.5	179	-171.3	-93.1	0	0	0	112.3	W459 L579 L580 S587	W459-F583 HydrophobicContact CH2-CB 4.11Å; W459-F583 HydrophobicContact CH2-CD2 4.12Å; W459-F583 HydrophobicContact CZ3-CB 3.86Å; W459-F583 HydrophobicContact CZ3-CD2 4.15Å; L579-F583 VanDerWaalsContact O-CB 3.28Å; L579-F583 WeakPolarHBondContact O-CB 3.14Å; L579-F583 PolarHBondContact O-N 2.84Å; L580-F583 PolarHBondContact O-N 2.98Å; F583-S587 VanDerWaalsContact O-CB 3.28Å; F583-S587 WeakPolarHBondContact O-CB 3.17Å; F583-S587 PolarHBondContact O-N 3.09Å; F583-S587 PolarHBondContact O-OG 3.07Å
584	L	85.9	Confident	84.4	Confident	106 Å²	106	87.3 Å²	87.3	56%	0.555	45%	0.453	S	S	*	.	H	α-helix	trans	-60.7	-46.7	174.2	-81.6	163.8	0	0	0	111.3	L580 H582 S587 I588	L580-L584 WeakPolarHBondContact O-CB 3.49Å; L580-L584 WeakPolarHBondContact O-CG 3.07Å; L580-L584 PolarHBondContact O-N 2.84Å; H582-L584 PolarHBondContact O-N 2.85Å; L584-S587 PolarHBondContact O-N 2.84Å; L584-I588 WeakPolarHBondContact O-CD1 3.2Å; L584-I588 VanDerWaalsContact O-CG1 3.3Å; L584-I588 WeakPolarHBondContact O-CG1 3.09Å; L584-I588 PolarHBondContact O-N 3.47Å; L584-I588 VanDerWaalsContact O-N 3.09Å
585	K	88.4	Confident	84.7	Confident	134 Å²	134	86.9 Å²	86.9	58%	0.583	45%	0.45	S	S	*	.	H	α-helix	trans	-61.7	-53.2	177.3	-170.4	-172.6	175.1	-161.8	0	111.6	D581 H582 S587 I588 D589	D581-K585 PolarHBondContact O-N 2.89Å; D581-K585 VanDerWaalsContact O-N 3.09Å; H582-K585 PolarHBondContact O-N 3.21Å; K585-S587 VanDerWaalsContact C-N 3.25Å; K585-S587 PolarHBondContact O-N 2.95Å; K585-I588 PolarHBondContact O-N 3.09Å; K585-D589 WeakPolarHBondContact CE-OD2 3.43Å; K585-D589 IonicContact NZ-OD2 3.77Å; K585-D589 PolarHBondContact O-N 3.36Å
586	A	85.4	Confident	85.3	Confident	32 Å²	32	91.6 Å²	91.6	26%	0.264	47%	0.472	S	S	.	.	H	α-helix	trans	-58.8	-37.1	-179.4	0	0	0	0	0	112.4	W459 H582 K590	W459-A586 HydrophobicContact CH2-CB 4.34Å; W459-A586 HydrophobicContact CZ2-CB 4.14Å; H582-A586 WeakPolarHBondContact O-CB 3.35Å; H582-A586 PolarHBondContact O-N 3.05Å; A586-K590 VanDerWaalsContact O-CB 3.3Å; A586-K590 WeakPolarHBondContact O-CB 3.36Å; A586-K590 VanDerWaalsContact O-CG 3.3Å; A586-K590 WeakPolarHBondContact O-CG 3.37Å; A586-K590 PolarHBondContact O-N 3.27Å
587	S	85.3	Confident	85.5	Confident	54 Å²	54	97.3 Å²	97.3	38%	0.378	49%	0.486	S	S	.	.	H	α-helix	trans	-64	-42.7	174.5	-60.6	0	0	0	0	112.4	F583 L584 K585 S591	F583-S587 VanDerWaalsContact O-CB 3.28Å; F583-S587 WeakPolarHBondContact O-CB 3.17Å; F583-S587 PolarHBondContact O-N 3.09Å; F583-S587 PolarHBondContact O-OG 3.07Å; L584-S587 PolarHBondContact O-N 2.84Å; K585-S587 VanDerWaalsContact C-N 3.25Å; K585-S587 PolarHBondContact O-N 2.95Å; S587-S591 WeakPolarHBondContact O-CB 3.45Å; S587-S591 PolarHBondContact O-N 2.93Å; S587-S591 PolarHBondContact O-OG 3.2Å
588	I	90.3	Very high	85.6	Confident	105 Å²	105	92 Å²	92	54%	0.538	47%	0.47	S	S	.	.	H	α-helix	trans	-65.5	-52.6	177.3	-69.1	164.2	0	0	0	109.9	L584 K585 K590 S591 L592	L584-I588 WeakPolarHBondContact O-CD1 3.2Å; L584-I588 VanDerWaalsContact O-CG1 3.3Å; L584-I588 WeakPolarHBondContact O-CG1 3.09Å; L584-I588 PolarHBondContact O-N 3.47Å; L584-I588 VanDerWaalsContact O-N 3.09Å; K585-I588 PolarHBondContact O-N 3.09Å; I588-K590 VanDerWaalsContact C-N 3.29Å; I588-K590 PolarHBondContact O-N 2.93Å; I588-S591 PolarHBondContact O-N 3.43Å; I588-S591 VanDerWaalsContact O-N 3.09Å; I588-S591 PolarHBondContact O-OG 3.36Å; I588-L592 PolarHBondContact O-N 3.47Å
589	D	89.3	Confident	86	Confident	78 Å²	78	90.5 Å²	90.5	42%	0.417	47%	0.473	S	S	.	.	H	α-helix	trans	-58.3	-41.1	-178.4	-64.3	-13.9	0	0	0	111.2	K585 Q593	K585-D589 WeakPolarHBondContact CE-OD2 3.43Å; K585-D589 IonicContact NZ-OD2 3.77Å; K585-D589 PolarHBondContact O-N 3.36Å; D589-Q593 PolarHBondContact O-N 2.94Å; D589-Q593 VanDerWaalsContact O-N 3.07Å
590	K	86	Confident	86.5	Confident	128 Å²	128	93.8 Å²	93.8	56%	0.557	49%	0.488	S	S	*	.	H	α-helix	trans	-70.2	-38.4	174.8	-72.9	-73.5	168.2	-172.3	0	113.3	A586 I588 L592 Q593 V594	A586-K590 VanDerWaalsContact O-CB 3.3Å; A586-K590 WeakPolarHBondContact O-CB 3.36Å; A586-K590 VanDerWaalsContact O-CG 3.3Å; A586-K590 WeakPolarHBondContact O-CG 3.37Å; A586-K590 PolarHBondContact O-N 3.27Å; I588-K590 VanDerWaalsContact C-N 3.29Å; I588-K590 PolarHBondContact O-N 2.93Å; K590-L592 VanDerWaalsContact C-N 3.3Å; K590-L592 PolarHBondContact O-N 3.02Å; K590-Q593 PolarHBondContact O-N 3.24Å; K590-V594 WeakPolarHBondContact O-CG2 3.31Å; K590-V594 PolarHBondContact O-N 2.95Å
591	S	78.4	Confident	86.5	Confident	74 Å²	74	93 Å²	93	52%	0.517	48%	0.483	S	S	.	.	H	α-helix	trans	-63.8	-36.5	175.8	72.3	0	0	0	0	112.5	S587 I588 A595	S587-S591 WeakPolarHBondContact O-CB 3.45Å; S587-S591 PolarHBondContact O-N 2.93Å; S587-S591 PolarHBondContact O-OG 3.2Å; I588-S591 PolarHBondContact O-N 3.43Å; I588-S591 VanDerWaalsContact O-N 3.09Å; I588-S591 PolarHBondContact O-OG 3.36Å; S591-A595 PolarHBondContact O-N 2.92Å; S591-A595 VanDerWaalsContact O-N 3.09Å
592	L	90.4	Very high	86.7	Confident	98 Å²	98	95 Å²	95	51%	0.513	48%	0.482	S	S	.	.	H	α-helix	trans	-66.1	-45.1	173.1	178.9	60.8	0	0	0	111.3	I588 K590 V594 A595 Q596	I588-L592 PolarHBondContact O-N 3.47Å; K590-L592 VanDerWaalsContact C-N 3.3Å; K590-L592 PolarHBondContact O-N 3.02Å; L592-V594 VanDerWaalsContact C-N 3.32Å; L592-V594 PolarHBondContact O-N 2.94Å; L592-A595 PolarHBondContact O-N 3.1Å; L592-Q596 HydrophobicContact CD1-CG 4.35Å; L592-Q596 WeakPolarHBondContact O-CG 3.31Å; L592-Q596 PolarHBondContact O-N 3.47Å
593	Q	89.4	Confident	87	Confident	92 Å²	92	96 Å²	96	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-59.8	-39.4	176.9	-179.1	166.1	65.4	0	0	112.4	D589 K590 R597	D589-Q593 PolarHBondContact O-N 2.94Å; D589-Q593 VanDerWaalsContact O-N 3.07Å; K590-Q593 PolarHBondContact O-N 3.24Å; Q593-R597 WeakPolarHBondContact O-CG 3.39Å; Q593-R597 PolarHBondContact O-N 3.14Å
594	V	87.8	Confident	87.1	Confident	93 Å²	93	95.8 Å²	95.8	56%	0.564	49%	0.493	S	S	*	.	H	α-helix	trans	-65.5	-49.9	174.4	172.2	0	0	0	0	111.1	K590 L592 Q596 R597 E598	K590-V594 WeakPolarHBondContact O-CG2 3.31Å; K590-V594 PolarHBondContact O-N 2.95Å; L592-V594 VanDerWaalsContact C-N 3.32Å; L592-V594 PolarHBondContact O-N 2.94Å; V594-Q596 VanDerWaalsContact C-N 3.27Å; V594-Q596 PolarHBondContact O-N 3.32Å; V594-R597 PolarHBondContact O-N 3.26Å; V594-R597 VanDerWaalsContact O-N 3.07Å; V594-E598 WeakPolarHBondContact O-CB 3.25Å; V594-E598 PolarHBondContact O-N 3.09Å
595	A	84.8	Confident	86.8	Confident	54 Å²	54	95.3 Å²	95.3	45%	0.446	49%	0.488	S	S	.	.	H	α-helix	trans	-60.2	-35.8	-179.9	0	0	0	0	0	113	S591 L592 A599	S591-A595 PolarHBondContact O-N 2.92Å; S591-A595 VanDerWaalsContact O-N 3.09Å; L592-A595 PolarHBondContact O-N 3.1Å; A595-A599 WeakPolarHBondContact O-CB 3.35Å; A595-A599 PolarHBondContact O-N 3.03Å
596	Q	91.1	Very high	86.6	Confident	118 Å²	118	90.7 Å²	90.7	55%	0.551	48%	0.479	S	S	*	.	H	α-helix	trans	-65.2	-42.5	173.5	-74	172	-17.4	0	0	112.4	L592 V594 A599 Q600	L592-Q596 HydrophobicContact CD1-CG 4.35Å; L592-Q596 WeakPolarHBondContact O-CG 3.31Å; L592-Q596 PolarHBondContact O-N 3.47Å; V594-Q596 VanDerWaalsContact C-N 3.27Å; V594-Q596 PolarHBondContact O-N 3.32Å; Q596-A599 PolarHBondContact O-N 3.38Å; Q596-Q600 PolarHBondContact O-N 2.78Å
597	R	86.4	Confident	86.6	Confident	153 Å²	153	94.1 Å²	94.1	58%	0.577	49%	0.489	S	S	*	.	H	α-helix	trans	-68.6	-39.5	176.3	-70.4	-61.9	-165.7	176.7	6.9	112.3	Q593 V594 A599 Q600 I601	Q593-R597 WeakPolarHBondContact O-CG 3.39Å; Q593-R597 PolarHBondContact O-N 3.14Å; V594-R597 PolarHBondContact O-N 3.26Å; V594-R597 VanDerWaalsContact O-N 3.07Å; R597-A599 VanDerWaalsContact C-N 3.33Å; R597-A599 PolarHBondContact O-N 2.71Å; R597-Q600 WeakPolarHBondContact O-CB 3.48Å; R597-Q600 PolarHBondContact O-N 3.04Å; R597-Q600 VanDerWaalsContact O-N 3.16Å; R597-I601 WeakPolarHBondContact O-CG1 3.35Å; R597-I601 PolarHBondContact O-N 3.41Å
598	E	82.3	Confident	86.3	Confident	88 Å²	88	96.5 Å²	96.5	41%	0.411	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-40.4	175.5	-165.6	-170.8	138.4	0	0	111.6	V594 I601 R602	V594-E598 WeakPolarHBondContact O-CB 3.25Å; V594-E598 PolarHBondContact O-N 3.09Å; E598-I601 PolarHBondContact O-N 2.84Å; E598-R602 WeakPolarHBondContact O-CG 3.46Å; E598-R602 PolarHBondContact O-N 3.47Å; E598-R602 VanDerWaalsContact O-N 3.12Å; E598-R602 IonicContact OE1-CZ 3.88Å; E598-R602 IonicContact OE1-NH1 2.69Å; E598-R602 PolarHBondContact OE1-NH1 2.77Å; E598-R602 IonicContact OE1-NH2 2.75Å; E598-R602 PolarHBondContact OE1-NH2 2.92Å
599	A	86.9	Confident	85.9	Confident	57 Å²	57	99.7 Å²	99.7	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-66.2	-38.2	172.5	0	0	0	0	0	112.8	A595 Q596 R597 R602 L603	A595-A599 WeakPolarHBondContact O-CB 3.35Å; A595-A599 PolarHBondContact O-N 3.03Å; Q596-A599 PolarHBondContact O-N 3.38Å; R597-A599 VanDerWaalsContact C-N 3.33Å; R597-A599 PolarHBondContact O-N 2.71Å; A599-R602 PolarHBondContact O-N 3.13Å; A599-L603 PolarHBondContact O-N 2.9Å; A599-L603 VanDerWaalsContact O-N 3.16Å
600	Q	91	Very high	85.5	Confident	94 Å²	94	102 Å²	102	44%	0.439	51%	0.511	S	S	.	.	H	α-helix	trans	-64.2	-41.2	175	-172.5	177	22.1	0	0	112	Q596 R597 L603 L604	Q596-Q600 PolarHBondContact O-N 2.78Å; R597-Q600 WeakPolarHBondContact O-CB 3.48Å; R597-Q600 PolarHBondContact O-N 3.04Å; R597-Q600 VanDerWaalsContact O-N 3.16Å; Q600-L603 WeakPolarHBondContact O-CB 3.42Å; Q600-L603 PolarHBondContact O-N 3.02Å; Q600-L604 HydrophobicContact CG-CD1 4.35Å; Q600-L604 WeakPolarHBondContact O-CG 3.45Å; Q600-L604 PolarHBondContact O-N 3.5Å; Q600-L604 VanDerWaalsContact O-N 3.17Å
601	I	84.3	Confident	85.1	Confident	93 Å²	93	100 Å²	100	48%	0.477	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-48.2	176.3	-68.9	164.1	0	0	0	110.3	R597 E598 L603 L604 E605	R597-I601 WeakPolarHBondContact O-CG1 3.35Å; R597-I601 PolarHBondContact O-N 3.41Å; E598-I601 PolarHBondContact O-N 2.84Å; I601-L603 PolarHBondContact O-N 3.4Å; I601-L604 PolarHBondContact O-N 3.08Å; I601-E605 HydrophobicContact CG2-CG 4.16Å; I601-E605 WeakPolarHBondContact O-CG 3.47Å; I601-E605 PolarHBondContact O-N 3.19Å
602	R	87.3	Confident	84.9	Confident	150 Å²	150	101 Å²	101	57%	0.566	51%	0.509	S	S	*	.	H	α-helix	trans	-57.5	-34.8	176.9	-74.5	-176.9	177.6	112.5	10.1	113.7	E598 A599 G606	E598-R602 WeakPolarHBondContact O-CG 3.46Å; E598-R602 PolarHBondContact O-N 3.47Å; E598-R602 VanDerWaalsContact O-N 3.12Å; E598-R602 IonicContact OE1-CZ 3.88Å; E598-R602 IonicContact OE1-NH1 2.69Å; E598-R602 PolarHBondContact OE1-NH1 2.77Å; E598-R602 IonicContact OE1-NH2 2.75Å; E598-R602 PolarHBondContact OE1-NH2 2.92Å; A599-R602 PolarHBondContact O-N 3.13Å; R602-G606 PolarHBondContact O-N 2.76Å
603	L	90.8	Very high	84.4	Confident	113 Å²	113	101.2 Å²	101.2	59%	0.592	51%	0.514	S	S	*	.	H	α-helix	trans	-65.5	-47.3	174.8	-172.1	75	0	0	0	111	A599 Q600 I601 G606 Q607	A599-L603 PolarHBondContact O-N 2.9Å; A599-L603 VanDerWaalsContact O-N 3.16Å; Q600-L603 WeakPolarHBondContact O-CB 3.42Å; Q600-L603 PolarHBondContact O-N 3.02Å; I601-L603 PolarHBondContact O-N 3.4Å; L603-G606 PolarHBondContact O-N 2.9Å; L603-Q607 WeakPolarHBondContact O-CG 3.28Å; L603-Q607 PolarHBondContact O-N 3.12Å
604	L	87.8	Confident	83.9	Confident	97 Å²	97	101.5 Å²	101.5	51%	0.508	52%	0.518	S	S	.	.	H	α-helix	trans	-66.2	-39.4	179.4	-67.6	167.6	0	0	0	112	Q600 I601 G606 Q607 L608	Q600-L604 HydrophobicContact CG-CD1 4.35Å; Q600-L604 WeakPolarHBondContact O-CG 3.45Å; Q600-L604 PolarHBondContact O-N 3.5Å; Q600-L604 VanDerWaalsContact O-N 3.17Å; I601-L604 PolarHBondContact O-N 3.08Å; L604-G606 VanDerWaalsContact C-N 3.32Å; L604-G606 PolarHBondContact O-N 2.88Å; L604-Q607 PolarHBondContact O-N 3.06Å; L604-L608 WeakPolarHBondContact O-CB 3.21Å; L604-L608 PolarHBondContact O-N 3.26Å
605	E	80.2	Confident	83.4	Confident	97 Å²	97	98.6 Å²	98.6	45%	0.453	51%	0.506	S	S	.	.	H	α-helix	trans	-61.8	-38.7	171.8	-71.5	176.6	166.5	0	0	112.1	I601 R609	I601-E605 HydrophobicContact CG2-CG 4.16Å; I601-E605 WeakPolarHBondContact O-CG 3.47Å; I601-E605 PolarHBondContact O-N 3.19Å; E605-R609 WeakPolarHBondContact O-CD 3.48Å; E605-R609 VanDerWaalsContact O-CG 3.24Å; E605-R609 WeakPolarHBondContact O-CG 3.47Å; E605-R609 PolarHBondContact O-N 2.97Å; E605-R609 VanDerWaalsContact O-N 3.09Å
606	G	83.7	Confident	82.8	Confident	37 Å²	37	100 Å²	100	38%	0.381	51%	0.512	S	S	.	.	H	α-helix	trans	-65.2	-42.9	174.3	0	0	0	0	0	112.4	R602 L603 L604 Q610	R602-G606 PolarHBondContact O-N 2.76Å; L603-G606 PolarHBondContact O-N 2.9Å; L604-G606 VanDerWaalsContact C-N 3.32Å; L604-G606 PolarHBondContact O-N 2.88Å; G606-Q610 WeakPolarHBondContact O-CB 3.41Å; G606-Q610 PolarHBondContact O-N 3.5Å
607	Q	85.6	Confident	82.1	Confident	104 Å²	104	97.4 Å²	97.4	49%	0.486	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-43.5	175.2	-72	179.1	-49.9	0	0	111.9	L603 L604 Q610 T611	L603-Q607 WeakPolarHBondContact O-CG 3.28Å; L603-Q607 PolarHBondContact O-N 3.12Å; L604-Q607 PolarHBondContact O-N 3.06Å; Q607-Q610 WeakPolarHBondContact O-CB 3.32Å; Q607-Q610 PolarHBondContact O-N 2.87Å; Q607-Q610 VanDerWaalsContact O-N 3.11Å; Q607-T611 PolarHBondContact O-N 3.24Å; Q607-T611 PolarHBondContact O-OG1 3.05Å
608	L	78.6	Confident	81.6	Confident	104 Å²	104	95.5 Å²	95.5	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-58.5	-50.6	177.4	-178.2	62.4	0	0	0	111.2	L604 Q610 T611 D612	L604-L608 WeakPolarHBondContact O-CB 3.21Å; L604-L608 PolarHBondContact O-N 3.26Å; L608-Q610 PolarHBondContact O-N 3.1Å; L608-T611 WeakPolarHBondContact CA-OG1 3.39Å; L608-T611 CarbonylContact O-C 3.42Å; L608-T611 PolarHBondContact O-N 3.44Å; L608-T611 PolarHBondContact O-OG1 2.99Å; L608-D612 PolarHBondContact O-N 3.06Å
609	R	82.1	Confident	81	Confident	172 Å²	172	96 Å²	96	65%	0.649	51%	0.51	S	S	*	.	H	α-helix	trans	-58.6	-35.3	175.1	-69.6	166	-174.6	-93.7	1.5	112.5	E605 D612 V613	E605-R609 WeakPolarHBondContact O-CD 3.48Å; E605-R609 VanDerWaalsContact O-CG 3.24Å; E605-R609 WeakPolarHBondContact O-CG 3.47Å; E605-R609 PolarHBondContact O-N 2.97Å; E605-R609 VanDerWaalsContact O-N 3.09Å; R609-D612 PolarHBondContact O-N 3.23Å; R609-V613 WeakPolarHBondContact O-CG2 3.12Å; R609-V613 PolarHBondContact O-N 2.88Å; R609-V613 VanDerWaalsContact O-N 3.09Å
610	Q	81.3	Confident	80.3	Confident	126 Å²	126	98.2 Å²	98.2	59%	0.589	51%	0.511	S	S	*	.	H	α-helix	trans	-67.8	-42.1	175.8	-172.1	177.4	0.6	0	0	111.2	G606 Q607 L608 I614	G606-Q610 WeakPolarHBondContact O-CB 3.41Å; G606-Q610 PolarHBondContact O-N 3.5Å; Q607-Q610 WeakPolarHBondContact O-CB 3.32Å; Q607-Q610 PolarHBondContact O-N 2.87Å; Q607-Q610 VanDerWaalsContact O-N 3.11Å; L608-Q610 PolarHBondContact O-N 3.1Å; Q610-I614 HydrophobicContact CG-CD1 3.94Å; Q610-I614 WeakPolarHBondContact O-CB 3.12Å; Q610-I614 WeakPolarHBondContact O-CD1 3.37Å; Q610-I614 VanDerWaalsContact O-CG1 3.24Å; Q610-I614 WeakPolarHBondContact O-CG1 3.36Å; Q610-I614 PolarHBondContact O-N 3.16Å
611	T	76.8	Confident	79.7	Confident	87 Å²	87	99.7 Å²	99.7	53%	0.534	52%	0.519	S	S	.	.	H	α-helix	trans	-66.5	-36.2	172.8	38.6	0	0	0	0	113.1	Q607 L608 I614 G615	Q607-T611 PolarHBondContact O-N 3.24Å; Q607-T611 PolarHBondContact O-OG1 3.05Å; L608-T611 WeakPolarHBondContact CA-OG1 3.39Å; L608-T611 CarbonylContact O-C 3.42Å; L608-T611 PolarHBondContact O-N 3.44Å; L608-T611 PolarHBondContact O-OG1 2.99Å; T611-I614 PolarHBondContact O-N 3.07Å; T611-G615 PolarHBondContact O-N 3.19Å
612	D	74.6	Confident	79.4	Confident	93 Å²	93	98.8 Å²	98.8	50%	0.497	51%	0.514	S	S	.	.	H	α-helix	trans	-62.4	-45.4	176	-61.5	-31	0	0	0	111.3	L608 R609 G615 S616	L608-D612 PolarHBondContact O-N 3.06Å; R609-D612 PolarHBondContact O-N 3.23Å; D612-G615 PolarHBondContact O-N 2.85Å; D612-S616 VanDerWaalsContact O-CB 3.3Å; D612-S616 WeakPolarHBondContact O-CB 3.35Å; D612-S616 PolarHBondContact O-N 2.91Å
613	V	78.8	Confident	78.7	Confident	103 Å²	103	95.3 Å²	95.3	62%	0.624	51%	0.507	S	S	*	.	H	α-helix	trans	-65.9	-41.9	176.9	170.4	0	0	0	0	111.5	R609 S617	R609-V613 WeakPolarHBondContact O-CG2 3.12Å; R609-V613 PolarHBondContact O-N 2.88Å; R609-V613 VanDerWaalsContact O-N 3.09Å; V613-S617 VanDerWaalsContact O-CB 3.31Å; V613-S617 WeakPolarHBondContact O-CB 3.3Å; V613-S617 PolarHBondContact O-N 3.09Å
614	I	79.7	Confident	78	Confident	99 Å²	99	92.9 Å²	92.9	51%	0.508	50%	0.495	S	S	.	.	H	α-helix	trans	-66.3	-42.9	177	-69.9	167.7	0	0	0	110.9	Q610 T611 S617 H618	Q610-I614 HydrophobicContact CG-CD1 3.94Å; Q610-I614 WeakPolarHBondContact O-CB 3.12Å; Q610-I614 WeakPolarHBondContact O-CD1 3.37Å; Q610-I614 VanDerWaalsContact O-CG1 3.24Å; Q610-I614 WeakPolarHBondContact O-CG1 3.36Å; Q610-I614 PolarHBondContact O-N 3.16Å; T611-I614 PolarHBondContact O-N 3.07Å; I614-S617 PolarHBondContact O-N 3.47Å; I614-H618 WeakPolarHBondContact O-CB 3.42Å; I614-H618 PolarHBondContact O-N 3.49Å
615	G	78.3	Confident	77.4	Confident	31 Å²	31	90.7 Å²	90.7	32%	0.32	49%	0.49	S	S	.	.	H	α-helix	trans	-64.4	-43.4	177	0	0	0	0	0	112.5	T611 D612 H618 N619	T611-G615 PolarHBondContact O-N 3.19Å; D612-G615 PolarHBondContact O-N 2.85Å; G615-H618 PolarHBondContact O-N 2.85Å; G615-N619 WeakPolarHBondContact O-CB 3.48Å; G615-N619 PolarHBondContact O-N 3.26Å; G615-N619 PolarHBondContact O-ND2 3.09Å
616	S	71.4	Confident	76.8	Confident	83 Å²	83	89.8 Å²	89.8	58%	0.58	49%	0.488	S	S	*	.	H	α-helix	trans	-61.1	-44.3	173.5	178.8	0	0	0	0	112.1	D612 N619 H620	D612-S616 VanDerWaalsContact O-CB 3.3Å; D612-S616 WeakPolarHBondContact O-CB 3.35Å; D612-S616 PolarHBondContact O-N 2.91Å; S616-N619 PolarHBondContact O-N 3.07Å; S616-H620 PolarHBondContact O-N 2.73Å
617	S	75.9	Confident	76.1	Confident	64 Å²	64	94 Å²	94	45%	0.448	49%	0.493	S	S	.	.	H	α-helix	trans	-63.6	-41.1	175.6	-174	0	0	0	0	112.4	V613 I614 H620 M621	V613-S617 VanDerWaalsContact O-CB 3.31Å; V613-S617 WeakPolarHBondContact O-CB 3.3Å; V613-S617 PolarHBondContact O-N 3.09Å; I614-S617 PolarHBondContact O-N 3.47Å; S617-H620 WeakPolarHBondContact O-CB 3.29Å; S617-H620 PolarHBondContact O-N 3.07Å; S617-M621 WeakPolarHBondContact O-CG 3.49Å; S617-M621 PolarHBondContact O-N 2.9Å
618	H	75.5	Confident	75.6	Confident	113 Å²	113	94.6 Å²	94.6	52%	0.523	50%	0.495	S	S	.	.	H	α-helix	trans	-66.7	-41.7	177.4	-167.2	57.4	0	0	0	112	I614 G615 H620 M621 I622	I614-H618 WeakPolarHBondContact O-CB 3.42Å; I614-H618 PolarHBondContact O-N 3.49Å; G615-H618 PolarHBondContact O-N 2.85Å; H618-H620 VanDerWaalsContact C-N 3.31Å; H618-H620 PolarHBondContact O-N 2.85Å; H618-M621 PolarHBondContact O-N 3.07Å; H618-I622 VanDerWaalsContact O-CG1 3.32Å; H618-I622 WeakPolarHBondContact O-CG1 3.43Å; H618-I622 PolarHBondContact O-N 2.91Å
619	N	70.4	Confident	75.1	Confident	99 Å²	99	95.3 Å²	95.3	53%	0.529	49%	0.494	S	S	.	.	H	α-helix	trans	-62.3	-37.5	173.8	-70.6	-13.7	0	0	0	112	G615 S616 I622 L623	G615-N619 WeakPolarHBondContact O-CB 3.48Å; G615-N619 PolarHBondContact O-N 3.26Å; G615-N619 PolarHBondContact O-ND2 3.09Å; S616-N619 PolarHBondContact O-N 3.07Å; N619-I622 PolarHBondContact O-N 3.11Å; N619-L623 WeakPolarHBondContact O-CG 3.34Å; N619-L623 PolarHBondContact O-N 3.28Å
620	H	73.4	Confident	74.1	Confident	103 Å²	103	87.3 Å²	87.3	48%	0.477	47%	0.465	S	S	.	.	H	α-helix	trans	-64.3	-49.1	174.2	-167	7.2	0	0	0	111.3	S616 S617 H618 I622 L623 D624	S616-H620 PolarHBondContact O-N 2.73Å; S617-H620 WeakPolarHBondContact O-CB 3.29Å; S617-H620 PolarHBondContact O-N 3.07Å; H618-H620 VanDerWaalsContact C-N 3.31Å; H618-H620 PolarHBondContact O-N 2.85Å; H620-I622 VanDerWaalsContact C-N 3.27Å; H620-I622 PolarHBondContact O-N 3.31Å; H620-L623 WeakPolarHBondContact O-CB 3.05Å; H620-L623 PolarHBondContact O-N 2.95Å; H620-D624 IonicContact CE1-OD1 3.26Å; H620-D624 IonicContact CE1-OD2 2.66Å; H620-D624 PolarHBondContact CE1-OD2 3.03Å; H620-D624 IonicContact CG-OD2 2.69Å; H620-D624 IonicContact ND1-OD1 2.75Å; H620-D624 IonicContact ND1-OD2 3.79Å; H620-D624 PolarHBondContact ND1-OD2 3.03Å; H620-D624 VanDerWaalsContact O-CG 3.26Å; H620-D624 PolarHBondContact O-N 3.17Å
621	M	77.9	Confident	73.1	Confident	125 Å²	125	88.3 Å²	88.3	62%	0.616	47%	0.469	S	S	*	.	H	α-helix	trans	-58.8	-35.9	175.1	-69.6	179	67.7	0	0	113	S617 H618 A625	S617-M621 WeakPolarHBondContact O-CG 3.49Å; S617-M621 PolarHBondContact O-N 2.9Å; H618-M621 PolarHBondContact O-N 3.07Å; M621-A625 VanDerWaalsContact O-CB 3.28Å; M621-A625 WeakPolarHBondContact O-CB 3.31Å; M621-A625 PolarHBondContact O-N 3.33Å
622	I	77.3	Confident	72.1	Confident	74 Å²	74	89.5 Å²	89.5	38%	0.379	48%	0.48	S	S	.	.	H	α-helix	trans	-67.3	-44.6	174	-71.7	165.4	0	0	0	110.7	H618 N619 H620 D624 A625 L626	H618-I622 VanDerWaalsContact O-CG1 3.32Å; H618-I622 WeakPolarHBondContact O-CG1 3.43Å; H618-I622 PolarHBondContact O-N 2.91Å; N619-I622 PolarHBondContact O-N 3.11Å; H620-I622 VanDerWaalsContact C-N 3.27Å; H620-I622 PolarHBondContact O-N 3.31Å; I622-D624 VanDerWaalsContact C-N 3.33Å; I622-D624 PolarHBondContact O-N 3Å; I622-A625 PolarHBondContact O-N 3.36Å; I622-L626 HydrophobicContact CG2-CD1 3.83Å; I622-L626 HydrophobicContact CG2-CG 4.39Å; I622-L626 WeakPolarHBondContact O-CB 3.38Å; I622-L626 VanDerWaalsContact O-CG 3.23Å; I622-L626 WeakPolarHBondContact O-CG 3.42Å; I622-L626 PolarHBondContact O-N 2.96Å
623	L	71.9	Confident	71.7	Confident	77 Å²	77	89.2 Å²	89.2	40%	0.403	48%	0.477	S	S	.	.	H	α-helix	trans	-61.5	-40.2	176.8	-76.9	166.6	0	0	0	112.1	N619 H620 L626 R627	N619-L623 WeakPolarHBondContact O-CG 3.34Å; N619-L623 PolarHBondContact O-N 3.28Å; H620-L623 WeakPolarHBondContact O-CB 3.05Å; H620-L623 PolarHBondContact O-N 2.95Å; L623-L626 PolarHBondContact O-N 3.29Å; L623-R627 WeakPolarHBondContact O-CB 3.44Å; L623-R627 PolarHBondContact O-N 3.44Å
624	D	77.4	Confident	70.9	Confident	63 Å²	63	89.1 Å²	89.1	34%	0.337	48%	0.479	S	S	.	.	H	α-helix	trans	-72.7	-40.7	179.7	-58.9	-29.9	0	0	0	111.6	H620 I622 L626 R627 E628	H620-D624 IonicContact CE1-OD1 3.26Å; H620-D624 IonicContact CE1-OD2 2.66Å; H620-D624 PolarHBondContact CE1-OD2 3.03Å; H620-D624 IonicContact CG-OD2 2.69Å; H620-D624 IonicContact ND1-OD1 2.75Å; H620-D624 IonicContact ND1-OD2 3.79Å; H620-D624 PolarHBondContact ND1-OD2 3.03Å; H620-D624 VanDerWaalsContact O-CG 3.26Å; H620-D624 PolarHBondContact O-N 3.17Å; I622-D624 VanDerWaalsContact C-N 3.33Å; I622-D624 PolarHBondContact O-N 3Å; D624-L626 VanDerWaalsContact C-N 3.3Å; D624-L626 PolarHBondContact O-N 2.98Å; D624-R627 WeakPolarHBondContact O-CB 3.33Å; D624-R627 PolarHBondContact O-N 2.85Å; D624-R627 VanDerWaalsContact O-N 3.17Å; D624-E628 PolarHBondContact O-N 3.42Å
625	A	75.6	Confident	70.2	Confident	50 Å²	50	92.3 Å²	92.3	41%	0.413	49%	0.492	S	S	.	.	H	α-helix	trans	-63.7	-34.5	171.9	0	0	0	0	0	112.4	M621 I622 K629	M621-A625 VanDerWaalsContact O-CB 3.28Å; M621-A625 WeakPolarHBondContact O-CB 3.31Å; M621-A625 PolarHBondContact O-N 3.33Å; I622-A625 PolarHBondContact O-N 3.36Å; A625-K629 VanDerWaalsContact O-CG 3.31Å; A625-K629 WeakPolarHBondContact O-CG 3.02Å; A625-K629 PolarHBondContact O-N 2.81Å
626	L	67.4	Low	69.3	Low	79 Å²	79	93.5 Å²	93.5	41%	0.414	49%	0.49	S	S	.	.	H	α-helix	trans	-70.1	-36.6	172.3	-74.3	170.1	0	0	0	112	I622 L623 D624 K629 A630 I640	I622-L626 HydrophobicContact CG2-CD1 3.83Å; I622-L626 HydrophobicContact CG2-CG 4.39Å; I622-L626 WeakPolarHBondContact O-CB 3.38Å; I622-L626 VanDerWaalsContact O-CG 3.23Å; I622-L626 WeakPolarHBondContact O-CG 3.42Å; I622-L626 PolarHBondContact O-N 2.96Å; L623-L626 PolarHBondContact O-N 3.29Å; D624-L626 VanDerWaalsContact C-N 3.3Å; D624-L626 PolarHBondContact O-N 2.98Å; L626-K629 PolarHBondContact O-N 3.38Å; L626-A630 WeakPolarHBondContact O-CB 3.49Å; L626-A630 PolarHBondContact O-N 3.15Å; L626-I640 HydrophobicContact CB-CD1 4.37Å
627	R	68.7	Low	68.8	Low	126 Å²	126	95 Å²	95	48%	0.475	49%	0.488	S	S	.	.	H	α-helix	trans	-62.8	-49	174.7	-168.3	-172.7	-60.5	-93.2	6.8	111.1	L623 D624 K629 A630 E631	L623-R627 WeakPolarHBondContact O-CB 3.44Å; L623-R627 PolarHBondContact O-N 3.44Å; D624-R627 WeakPolarHBondContact O-CB 3.33Å; D624-R627 PolarHBondContact O-N 2.85Å; D624-R627 VanDerWaalsContact O-N 3.17Å; R627-K629 PolarHBondContact O-N 3.01Å; R627-A630 PolarHBondContact O-N 2.93Å; R627-E631 PolarHBondContact O-N 3.17Å
628	E	74.2	Confident	68.3	Low	116 Å²	116	94.5 Å²	94.5	54%	0.542	49%	0.488	S	S	.	.	H	α-helix	trans	-57	-32.9	175.2	-165.4	-149	127.5	0	0	112.3	D624	D624-E628 PolarHBondContact O-N 3.42Å
629	K	68.4	Low	67.6	Low	118 Å²	118	94.1 Å²	94.1	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-82.4	-28.1	174	-61.6	-59.7	169.9	-122.5	0	113.8	A625 L626 R627 C632	A625-K629 VanDerWaalsContact O-CG 3.31Å; A625-K629 WeakPolarHBondContact O-CG 3.02Å; A625-K629 PolarHBondContact O-N 2.81Å; L626-K629 PolarHBondContact O-N 3.38Å; R627-K629 PolarHBondContact O-N 3.01Å; K629-C632 PolarHBondContact O-N 3.42Å
630	A	61.4	Low	67.3	Low	4 Å²	4	91.3 Å²	91.3	3%	0.033	47%	0.474	C	S	.	.	H	α-helix	trans	-72	-26.2	178.5	0	0	0	0	0	113.3	L626 R627 C632 I633 L636 Q637 I640	L626-A630 WeakPolarHBondContact O-CB 3.49Å; L626-A630 PolarHBondContact O-N 3.15Å; R627-A630 PolarHBondContact O-N 2.93Å; A630-C632 PolarHBondContact O-N 3Å; A630-C632 VanDerWaalsContact O-N 3.09Å; A630-I633 CarbonylContact O-C 3.59Å; A630-I633 PolarHBondContact O-N 2.9Å; A630-L636 HydrophobicContact CB-CB 4.35Å; A630-L636 HydrophobicContact CB-CD2 4.15Å; A630-L636 HydrophobicContact CB-CG 4.37Å; A630-Q637 HydrophobicContact CB-CB 4.22Å; A630-I640 HydrophobicContact CB-CD1 3.76Å
631	E	61.1	Low	66.7	Low	148 Å²	148	91 Å²	91	69%	0.692	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.9	173	-70.9	178	-168.9	0	0	113.5	R627	R627-E631 PolarHBondContact O-N 3.17Å
632	C	55.5	Low	65.7	Low	112 Å²	112	89.5 Å²	89.5	76%	0.757	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-8.7	175.5	-69.9	0	0	0	0	114.4	K629 A630	K629-C632 PolarHBondContact O-N 3.42Å; A630-C632 PolarHBondContact O-N 3Å; A630-C632 VanDerWaalsContact O-N 3.09Å
633	I	64.9	Low	64.5	Low	86 Å²	86	89.3 Å²	89.3	44%	0.441	47%	0.469	S	S	.	.			trans	-141.8	95.9	-170.1	-51.3	-178.5	0	0	0	110.6	A630 E635 L636 Q637	A630-I633 CarbonylContact O-C 3.59Å; A630-I633 PolarHBondContact O-N 2.9Å; I633-E635 VanDerWaalsContact C-N 3.28Å; I633-E635 PolarHBondContact O-N 3.24Å; I633-L636 HydrophobicContact CB-CB 4.08Å; I633-L636 HydrophobicContact CG2-CB 4.04Å; I633-L636 WeakPolarHBondContact O-CB 3.43Å; I633-L636 PolarHBondContact O-N 2.99Å; I633-Q637 PolarHBondContact O-N 2.9Å
634	P	63.2	Low	63.7	Low	101 Å²	101	88.4 Å²	88.4	66%	0.656	46%	0.463	S	S	*	.	H	α-helix	trans	-57.6	-34.7	-174.5	-27.6	35.5	0	0	0	115	L636 Q637 A638	P634-L636 VanDerWaalsContact C-N 3.3Å; P634-L636 PolarHBondContact O-N 3.45Å; P634-Q637 WeakPolarHBondContact O-CB 3.46Å; P634-Q637 PolarHBondContact O-N 3.46Å; P634-A638 PolarHBondContact O-N 3.31Å
635	E	64.2	Low	62.3	Low	166 Å²	166	92 Å²	92	78%	0.776	48%	0.478	S	S	*	.	H	α-helix	trans	-64.8	-34.5	178.5	-62.3	175.9	168.9	0	0	112	I633 L639	I633-E635 VanDerWaalsContact C-N 3.28Å; I633-E635 PolarHBondContact O-N 3.24Å; E635-L639 PolarHBondContact O-N 2.99Å
636	L	59.3	Low	60.5	Low	56 Å²	56	97.6 Å²	97.6	29%	0.293	50%	0.495	S	S	.	.	H	α-helix	trans	-72.1	-36.3	177.3	-163.4	71.3	0	0	0	111.2	A630 I633 P634 L639 I640	A630-L636 HydrophobicContact CB-CB 4.35Å; A630-L636 HydrophobicContact CB-CD2 4.15Å; A630-L636 HydrophobicContact CB-CG 4.37Å; I633-L636 HydrophobicContact CB-CB 4.08Å; I633-L636 HydrophobicContact CG2-CB 4.04Å; I633-L636 WeakPolarHBondContact O-CB 3.43Å; I633-L636 PolarHBondContact O-N 2.99Å; P634-L636 VanDerWaalsContact C-N 3.3Å; P634-L636 PolarHBondContact O-N 3.45Å; L636-L639 PolarHBondContact O-N 3.43Å; L636-I640 HydrophobicContact CG-CD1 4.35Å; L636-I640 WeakPolarHBondContact O-CG1 3.36Å; L636-I640 PolarHBondContact O-N 2.88Å
637	Q	62.1	Low	59.1	Low	114 Å²	114	98.9 Å²	98.9	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-39.5	178.2	-161	174.5	21.2	0	0	111.9	A630 I633 P634 H641	A630-Q637 HydrophobicContact CB-CB 4.22Å; I633-Q637 PolarHBondContact O-N 2.9Å; P634-Q637 WeakPolarHBondContact O-CB 3.46Å; P634-Q637 PolarHBondContact O-N 3.46Å; Q637-H641 PolarHBondContact O-N 3.28Å
638	A	64.1	Low	57.6	Low	54 Å²	54	95.9 Å²	95.9	45%	0.446	51%	0.511	S	S	.	.	H	α-helix	trans	-65.6	-39.7	173	0	0	0	0	0	112.6	P634 H641 N642	P634-A638 PolarHBondContact O-N 3.31Å; A638-H641 PolarHBondContact O-N 3.46Å; A638-N642 VanDerWaalsContact O-CG 3.3Å; A638-N642 PolarHBondContact O-N 2.9Å; A638-N642 VanDerWaalsContact O-N 3.12Å; A638-N642 PolarHBondContact O-OD1 3.07Å
639	L	62.2	Low	56	Low	106 Å²	106	99.5 Å²	99.5	56%	0.555	52%	0.521	S	S	*	.	H	α-helix	trans	-65.3	-43.9	178.6	-173.5	63.4	0	0	0	112.2	E635 L636 H641 N642 V643	E635-L639 PolarHBondContact O-N 2.99Å; L636-L639 PolarHBondContact O-N 3.43Å; L639-H641 PolarHBondContact O-N 3.43Å; L639-N642 PolarHBondContact O-N 3.33Å; L639-V643 WeakPolarHBondContact O-CG2 3.44Å; L639-V643 PolarHBondContact O-N 3.23Å; L639-V643 VanDerWaalsContact O-N 3.08Å
640	I	63.7	Low	54.3	Low	39 Å²	39	98 Å²	98	20%	0.2	53%	0.53	C	S	.	.	H	α-helix	trans	-59.8	-45.9	176.6	-69.1	165.5	0	0	0	110.8	L626 A630 L636 N642 V643 Q644	L626-I640 HydrophobicContact CB-CD1 4.37Å; A630-I640 HydrophobicContact CB-CD1 3.76Å; L636-I640 HydrophobicContact CG-CD1 4.35Å; L636-I640 WeakPolarHBondContact O-CG1 3.36Å; L636-I640 PolarHBondContact O-N 2.88Å; I640-N642 PolarHBondContact O-N 3.24Å; I640-V643 PolarHBondContact O-N 3.37Å; I640-Q644 WeakPolarHBondContact O-CG 3.32Å; I640-Q644 PolarHBondContact O-N 3.3Å
641	H	60.4	Low	53	Low	97 Å²	97	102.2 Å²	102.2	45%	0.449	56%	0.56	S	S	.	*	H	α-helix	trans	-59.2	-44.1	178.1	171.7	-93.3	0	0	0	112.4	Q637 A638 L639 Q644 Q645	Q637-H641 PolarHBondContact O-N 3.28Å; A638-H641 PolarHBondContact O-N 3.46Å; L639-H641 PolarHBondContact O-N 3.43Å; H641-Q644 PolarHBondContact O-N 3.19Å; H641-Q645 PolarHBondContact CE1-NE2 2.93Å; H641-Q645 PolarHBondContact NE2-NE2 3.26Å; H641-Q645 PolarHBondContact O-N 3.16Å; H641-Q645 VanDerWaalsContact O-N 3.16Å
642	N	56.4	Low	51.6	Low	94 Å²	94	101.5 Å²	101.5	50%	0.503	57%	0.566	S	S	.	*	H	α-helix	trans	-68.4	-43.1	-179	-67.4	-1.4	0	0	0	112	A638 L639 I640 Q644 Q645 E646	A638-N642 VanDerWaalsContact O-CG 3.3Å; A638-N642 PolarHBondContact O-N 2.9Å; A638-N642 VanDerWaalsContact O-N 3.12Å; A638-N642 PolarHBondContact O-OD1 3.07Å; L639-N642 PolarHBondContact O-N 3.33Å; I640-N642 PolarHBondContact O-N 3.24Å; N642-Q644 PolarHBondContact O-N 3.13Å; N642-Q645 PolarHBondContact O-N 3.36Å; N642-Q645 VanDerWaalsContact O-N 3.13Å; N642-E646 PolarHBondContact O-N 3.11Å
643	V	53.2	Low	50.4	Low	70 Å²	70	103.1 Å²	103.1	42%	0.424	57%	0.567	S	S	.	*	H	α-helix	trans	-62.9	-31.7	176.3	173.1	0	0	0	0	111.9	L639 I640 N647	L639-V643 WeakPolarHBondContact O-CG2 3.44Å; L639-V643 PolarHBondContact O-N 3.23Å; L639-V643 VanDerWaalsContact O-N 3.08Å; I640-V643 PolarHBondContact O-N 3.37Å; V643-N647 WeakPolarHBondContact O-CB 3.45Å; V643-N647 PolarHBondContact O-N 3.28Å; V643-N647 VanDerWaalsContact O-N 3.09Å; V643-N647 PolarHBondContact O-ND2 2.95Å
644	Q	53.6	Low	48.8	Very low	57 Å²	57	107.7 Å²	107.7	27%	0.266	59%	0.586	S	S	.	*	H	α-helix	trans	-71.8	-32.2	174.4	-76.8	179.2	-36.4	0	0	113.5	I640 H641 N642 G648	I640-Q644 WeakPolarHBondContact O-CG 3.32Å; I640-Q644 PolarHBondContact O-N 3.3Å; H641-Q644 PolarHBondContact O-N 3.19Å; N642-Q644 PolarHBondContact O-N 3.13Å; Q644-G648 PolarHBondContact O-N 2.88Å
645	Q	48.4	Very low	47.1	Very low	139 Å²	139	111.1 Å²	111.1	65%	0.65	59%	0.593	S	S	*	*	H	α-helix	trans	-70.6	-41.5	171.9	-67.6	-164.4	4.2	0	0	111.9	H641 N642	H641-Q645 PolarHBondContact CE1-NE2 2.93Å; H641-Q645 PolarHBondContact NE2-NE2 3.26Å; H641-Q645 PolarHBondContact O-N 3.16Å; H641-Q645 VanDerWaalsContact O-N 3.16Å; N642-Q645 PolarHBondContact O-N 3.36Å; N642-Q645 VanDerWaalsContact O-N 3.13Å
646	E	38.8	Very low	45.5	Very low	167 Å²	167	108.8 Å²	108.8	78%	0.78	59%	0.593	S	S	*	*	H	α-helix	trans	-72.9	-35.5	-176.2	-164.7	171.1	-141.6	0	0	113.2	N642	N642-E646 PolarHBondContact O-N 3.11Å
647	N	38	Very low	43.9	Very low	106 Å²	106	112 Å²	112	57%	0.567	62%	0.62	S	S	*	*	S	Bend	trans	-97.9	3.4	-179.2	-71.4	-78.4	0	0	0	115.1	V643 Y649	V643-N647 WeakPolarHBondContact O-CB 3.45Å; V643-N647 PolarHBondContact O-N 3.28Å; V643-N647 VanDerWaalsContact O-N 3.09Å; V643-N647 PolarHBondContact O-ND2 2.95Å; N647-Y649 VanDerWaalsContact C-N 3.26Å; N647-Y649 VanDerWaalsContact O-CD2 3.26Å; N647-Y649 WeakPolarHBondContact O-CD2 3.34Å; N647-Y649 PolarHBondContact O-N 3Å; N647-Y649 VanDerWaalsContact O-N 3.11Å
648	G	37.7	Very low	42.3	Very low	63 Å²	63	115.2 Å²	115.2	65%	0.649	64%	0.635	S	S	*	*			trans	69.7	5.7	169.5	0	0	0	0	0	117.5	Q644 A650	Q644-G648 PolarHBondContact O-N 2.88Å; G648-A650 VanDerWaalsContact C-N 3.31Å; G648-A650 PolarHBondContact O-N 3.38Å
649	Y	39.8	Very low	40.4	Very low	193 Å²	193	122 Å²	122	76%	0.757	66%	0.655	S	S	*	*			trans	-84.7	67	178	-78.3	-84.3	0	0	0	112.5	N647 S651	N647-Y649 VanDerWaalsContact C-N 3.26Å; N647-Y649 VanDerWaalsContact O-CD2 3.26Å; N647-Y649 WeakPolarHBondContact O-CD2 3.34Å; N647-Y649 PolarHBondContact O-N 3Å; N647-Y649 VanDerWaalsContact O-N 3.11Å; Y649-S651 PolarHBondContact O-N 3.07Å
650	A	32.3	Very low	38.8	Very low	85 Å²	85	121.4 Å²	121.4	70%	0.702	66%	0.659	S	S	*	*			trans	-76.1	85.1	171.2	0	0	0	0	0	111.2	G648 T652	G648-A650 VanDerWaalsContact C-N 3.31Å; G648-A650 PolarHBondContact O-N 3.38Å; A650-T652 PolarHBondContact O-N 3.24Å
651	S	33.8	Very low	37	Very low	94 Å²	94	128.6 Å²	128.6	66%	0.657	69%	0.692	S	S	*	*			trans	-72.3	116.2	169.2	-167.4	0	0	0	0	109.9	Y649	Y649-S651 PolarHBondContact O-N 3.07Å
652	T	31.3	Very low	35.2	Very low	133 Å²	133	128 Å²	128	82%	0.816	70%	0.704	S	S	*	*			trans	-105.2	94	179.2	58.6	0	0	0	0	111	A650	A650-T652 PolarHBondContact O-N 3.24Å
653	D	32.2	Very low	33.8	Very low	146 Å²	146	128.3 Å²	128.3	78%	0.781	71%	0.713	S	S	*	*			trans	-143.6	171	158.7	-148.8	-19.6	0	0	0	108.3
654	E	29.7	Very low	32.3	Very low	182 Å²	182	132.1 Å²	132.1	85%	0.85	73%	0.731	S	S	*	*			trans	99.8	80	-162.4	-66.1	-67.8	128.8	0	0	114
655	E	28.6	Very low	30.9	Very low	172 Å²	172	134.5 Å²	134.5	80%	0.804	75%	0.754	S	S	*	*			trans	-79.5	147.7	157.5	-84.8	-93.6	136.9	0	0	110.8
656	P	29.8	Very low	29.8	Very low	117 Å²	117	132.8 Å²	132.8	76%	0.76	76%	0.758	S	S	*	*			trans	-76.3	151.6	-177.1	32.4	-36	0	0	0	113.2
657	S	25.9	Very low	29.1	Very low	123 Å²	123	131.1 Å²	131.1	86%	0.86	76%	0.759	S	S	*	*			trans	-112.9	134.8	171.3	57.1	0	0	0	0	112.6
658	E	28.8	Very low	28.4	Very low	183 Å²	183	130.4 Å²	130.4	86%	0.855	76%	0.762	S	S	*	*			trans	-104.1	131.1	176.7	-70.1	-167.8	134.4	0	0	112
659	F	24.8	Very low	27.8	Very low	196 Å²	196	135.2 Å²	135.2	86%	0.86	77%	0.768	S	S	*	*			trans	165.7	140.9	141.1	-107.7	-127.3	0	0	0	107.8
660	S	26.8	Very low	27.1	Very low	93 Å²	93	132.8 Å²	132.8	65%	0.65	77%	0.765	S	S	*	*			cis	-147.5	172	13.9	-53.5	0	0	0	0	112.5
661	Q	27.6	Very low	26.8	Very low	191 Å²	191	136.1 Å²	136.1	89%	0.893	76%	0.763	S	S	*	*			trans	-7.4	145.4	151.1	-53.7	172	-12	0	0	117.4
662	A	22.2	Very low	26.4	Very low	85 Å²	85	138.5 Å²	138.5	70%	0.702	76%	0.764	S	S	*	*			cis	-169	170.1	43.3	0	0	0	0	0	115.7
663	S	26.1	Very low	26.3	Very low	99 Å²	99	136.2 Å²	136.2	69%	0.692	75%	0.754	S	S	*	*			trans	56.3	119.1	147.5	59.1	0	0	0	0	123.2
664	D	23	Very low	25.9	Very low	150 Å²	150	136.6 Å²	136.6	80%	0.802	76%	0.756	S	S	*	*				76.2	128.5	129.2	-63	-16	0	0	0	125
665	S	23.3	Very low	25.8	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	75%	0.745	S	S	*	*			trans	95.3	106.3	134.6	74	0	0	0	0	122.6
666	S	24.9	Very low	25.7	Very low	103 Å²	103	131.5 Å²	131.5	72%	0.72	74%	0.742	S	S	*	*				69.3	119.5	123	67.5	0	0	0	0	124.6
667	V	23.7	Very low	25.5	Very low	132 Å²	132	132 Å²	132	80%	0.8	74%	0.738	S	S	*	*				88.5	137.1	119.8	168	0	0	0	0	122
668	S	25.1	Very low	25.5	Very low	91 Å²	91	133.1 Å²	133.1	64%	0.636	73%	0.734	S	S	*	*			trans	78.5	128	158.5	72.9	0	0	0	0	118.1
669	Q	24.8	Very low	25.4	Very low	164 Å²	164	132.6 Å²	132.6	77%	0.766	73%	0.73	S	S	*	*				63.1	149.3	90.1	-60.1	-175.6	-63.3	0	0	114.4
670	M	24.8	Very low	25.4	Very low	142 Å²	142	133.3 Å²	133.3	70%	0.7	73%	0.732	S	S	*	*			cis	-174.6	155	-15.1	-106.7	-176.3	172.8	0	0	106.3
671	K	26.7	Very low	25.5	Very low	154 Å²	154	135.5 Å²	135.5	67%	0.67	74%	0.735	S	S	*	*			trans	63	172.4	157	-72.3	156.2	152.4	-92.9	0	115.1
672	E	24.8	Very low	25.2	Very low	144 Å²	144	135.1 Å²	135.1	67%	0.673	73%	0.731	S	S	*	*			cis	-144	152.6	-10.4	-131.3	143.3	178	0	0	112.6
673	S	27.7	Very low	25.3	Very low	86 Å²	86	138.3 Å²	138.3	60%	0.601	73%	0.733	S	S	*	*			trans	-16.9	160.9	163.2	60.7	0	0	0	0	124.2
674	N	24.9	Very low	25.2	Very low	153 Å²	153	140.1 Å²	140.1	82%	0.818	73%	0.731	S	S	*	*			trans	78	151.5	147.1	-70.7	2.5	0	0	0	118.3
675	S	28.2	Very low	25.5	Very low	89 Å²	89	138.9 Å²	138.9	62%	0.622	73%	0.73	S	S	*	*			cis	-172	156.6	-7	43.7	0	0	0	0	113.4
676	Q	26.4	Very low	25.7	Very low	158 Å²	158	139.7 Å²	139.7	74%	0.738	72%	0.717	S	S	*	*			trans	70	131.9	147.7	-80.6	-177.8	-96.5	0	0	123
677	D	25.5	Very low	25.8	Very low	128 Å²	128	143.1 Å²	143.1	68%	0.684	73%	0.726	S	S	*	*			trans	61.2	154.7	136.8	-44.2	-16	0	0	0	119.9
678	D	24.8	Very low	26	Very low	146 Å²	146	142.1 Å²	142.1	78%	0.781	73%	0.725	S	S	*	*			cis	-151.5	175.9	12.8	-153.2	-11.3	0	0	0	113.2
679	F	26.8	Very low	26.3	Very low	173 Å²	173	142.4 Å²	142.4	76%	0.759	73%	0.733	S	S	*	*			trans	-59.1	149	-173.1	-86.8	-107.9	0	0	0	117.7	I681	F679-I681 HydrophobicContact CD1-CG1 4.49Å
680	K	24.3	Very low	26.4	Very low	210 Å²	210	143.6 Å²	143.6	91%	0.913	74%	0.739	S	S	*	*			trans	-155.2	129.9	133.8	-125.1	167.5	-171	169.4	0	115.3
681	I	28.7	Very low	26.5	Very low	140 Å²	140	145.9 Å²	145.9	72%	0.718	75%	0.75	S	S	*	*			trans	-91.3	136	177.2	-63	159.4	0	0	0	109.7	F679	F679-I681 HydrophobicContact CD1-CG1 4.49Å
682	K	21.9	Very low	26.6	Very low	182 Å²	182	147.9 Å²	147.9	79%	0.791	76%	0.759	S	S	*	*			trans	-177.4	124.1	130.3	-106.5	-167.2	174.5	-165.8	0	117
683	M	23.9	Very low	27.3	Very low	152 Å²	152	146.1 Å²	146.1	75%	0.749	77%	0.769	S	S	*	*			trans	66.8	114	144.3	-41	-152.4	78.3	0	0	120.2
684	E	25.3	Very low	27.2	Very low	138 Å²	138	148 Å²	148	65%	0.645	78%	0.777	S	S	*	*			trans	-48.8	154.4	139.2	-110.8	-178.7	139.2	0	0	110.3	R686	E684-R686 WeakPolarHBondContact OE1-CG 3.43Å; E684-R686 IonicContact OE1-CZ 2.78Å; E684-R686 IonicContact OE1-NE 3.34Å; E684-R686 PolarHBondContact OE1-NE 3.07Å; E684-R686 IonicContact OE1-NH2 3.66Å; E684-R686 IonicContact OE2-NE 3.72Å
685	P	28.8	Very low	27.4	Very low	123 Å²	123	146.2 Å²	146.2	80%	0.799	78%	0.776	S	S	*	*				-130.2	136.7	111.6	35.4	-29.8	0	0	0	112.4
686	R	26.6	Very low	27.3	Very low	126 Å²	126	146.9 Å²	146.9	48%	0.475	79%	0.787	S	S	.	*			trans	-71	143.6	164.2	-59.4	178.9	-176.8	171.2	3.1	110	L520 E523 E684	L520-R686 VanDerWaalsContact CD2-NH1 3.33Å; E523-R686 IonicContact OE2-CZ 3.17Å; E523-R686 IonicContact OE2-NH1 3.11Å; E523-R686 PolarHBondContact OE2-NH1 3.5Å; E684-R686 WeakPolarHBondContact OE1-CG 3.43Å; E684-R686 IonicContact OE1-CZ 2.78Å; E684-R686 IonicContact OE1-NE 3.34Å; E684-R686 PolarHBondContact OE1-NE 3.07Å; E684-R686 IonicContact OE1-NH2 3.66Å; E684-R686 IonicContact OE2-NE 3.72Å
687	L	28.4	Very low	27.2	Very low	175 Å²	175	148 Å²	148	92%	0.916	79%	0.792	S	S	*	*			trans	-132.6	139.5	151.6	-85.3	176.8	0	0	0	109.2
688	S	27.5	Very low	27.4	Very low	110 Å²	110	150.8 Å²	150.8	77%	0.769	79%	0.794	S	S	*	*			trans	-82.3	169.8	-167.7	49.3	0	0	0	0	113.3	Q690	S688-Q690 PolarHBondContact O-N 2.66Å
689	A	31.6	Very low	27.5	Very low	98 Å²	98	152.5 Å²	152.5	81%	0.81	80%	0.802	S	S	*	*			trans	-63.5	113.7	-176.3	0	0	0	0	0	113.1
690	Q	27.2	Very low	27.6	Very low	188 Å²	188	146 Å²	146	88%	0.879	78%	0.784	S	S	*	*			trans	-162.2	105.8	154.3	-120.1	176.3	66.7	0	0	113.4	S688	S688-Q690 PolarHBondContact O-N 2.66Å
691	M	26.3	Very low	28.1	Very low	190 Å²	190	142.6 Å²	142.6	94%	0.936	78%	0.783	S	S	*	*			trans	-163.2	118.1	133.5	-114.6	-171.7	-67.6	0	0	111.5
692	K	29.3	Very low	27.9	Very low	196 Å²	196	143 Å²	143	85%	0.852	79%	0.786	S	S	*	*			trans	-78.4	146.8	159	-76.4	-178.3	174.5	179	0	108.6	V694	K692-V694 PolarHBondContact O-N 2.78Å
693	A	38.8	Very low	28.2	Very low	107 Å²	107	141.6 Å²	141.6	88%	0.884	79%	0.786	S	S	*	*			trans	-60.4	122.3	-178.6	0	0	0	0	0	112.5
694	V	26.1	Very low	28.2	Very low	127 Å²	127	140.8 Å²	140.8	77%	0.77	79%	0.785	S	S	*	*			trans	-138.9	105.7	163	-178.6	0	0	0	0	109.1	K692	K692-V694 PolarHBondContact O-N 2.78Å
695	S	29.4	Very low	28.8	Very low	115 Å²	115	139.4 Å²	139.4	80%	0.804	79%	0.788	S	S	*	*			trans	48.8	122.3	152.4	-53.1	0	0	0	0	121.2
696	A	25.9	Very low	28.6	Very low	103 Å²	103	138.9 Å²	138.9	85%	0.851	79%	0.787	S	S	*	*			trans	-144.2	55.9	160.9	0	0	0	0	0	113.3
697	E	25.1	Very low	28.7	Very low	180 Å²	180	137.8 Å²	137.8	84%	0.841	80%	0.798	S	S	*	*			trans	-69.4	144.6	135.9	-66	-173.8	133.7	0	0	106.3
698	Y	29.1	Very low	28.4	Very low	188 Å²	188	134.7 Å²	134.7	74%	0.737	79%	0.791	S	S	*	*			cis	-161.3	141.3	22.4	-167.5	-97.7	0	0	0	109.8
699	L	27.7	Very low	28.4	Very low	181 Å²	181	134.9 Å²	134.9	95%	0.948	79%	0.793	S	S	*	*			trans	-141.5	71.3	165	-90.1	-176.8	0	0	0	112.7
700	G	28.9	Very low	28.2	Very low	37 Å²	37	139.7 Å²	139.7	38%	0.381	80%	0.796	S	S	.	*	P	Polyproline II helix	trans	-91.7	147.1	151.7	0	0	0	0	0	110.7
701	P	33.4	Very low	28.1	Very low	138 Å²	138	138.4 Å²	138.4	90%	0.896	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-75.1	172.1	-173	29.5	-35.1	0	0	0	115.5
702	I	25.7	Very low	28.1	Very low	149 Å²	149	138.3 Å²	138.3	76%	0.764	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-93.1	156.2	-156.3	-62.4	161.5	0	0	0	113.9
703	L	27.4	Very low	27.8	Very low	152 Å²	152	136.1 Å²	136.1	80%	0.796	78%	0.78	S	S	*	*			trans	136.7	134.1	147.4	-74.8	172.1	0	0	0	111.1
704	D	24.9	Very low	27.1	Very low	135 Å²	135	139 Å²	139	72%	0.722	78%	0.778	S	S	*	*			cis	-156.5	-169.4	-14.4	-140.1	7.3	0	0	0	108.5
705	P	36.8	Very low	27.3	Very low	109 Å²	109	138.5 Å²	138.5	71%	0.708	78%	0.775	S	S	*	*			trans	-126.2	160.6	-132.9	36.4	-15.7	0	0	0	117.5
706	S	24.3	Very low	27.2	Very low	113 Å²	113	142.3 Å²	142.3	79%	0.79	78%	0.778	S	S	*	*			trans	-159.4	141.6	150.5	51.6	0	0	0	0	114.3
707	S	28.2	Very low	27.2	Very low	102 Å²	102	142.9 Å²	142.9	71%	0.713	78%	0.776	S	S	*	*			trans	23	101.9	164.7	55.8	0	0	0	0	119.2
708	S	22.6	Very low	27.3	Very low	110 Å²	110	142.4 Å²	142.4	77%	0.769	78%	0.778	S	S	*	*				64.7	108.7	71.3	80.7	0	0	0	0	116.8
709	S	27.1	Very low	27.2	Very low	115 Å²	115	138.2 Å²	138.2	80%	0.804	78%	0.782	S	S	*	*				-179.3	134.4	112	45.9	0	0	0	0	115.3
710	K	27.3	Very low	27.1	Very low	198 Å²	198	135 Å²	135	86%	0.861	77%	0.774	S	S	*	*			trans	48.2	86	149.9	-63.3	-174.5	177.7	-178.4	0	119.5
711	Q	24.8	Very low	27	Very low	162 Å²	162	140.4 Å²	140.4	76%	0.757	79%	0.794	S	S	*	*			trans	-59.4	135.3	143.4	-177.4	178.4	16.5	0	0	110.9
712	Q	26.5	Very low	26.7	Very low	188 Å²	188	139.2 Å²	139.2	88%	0.879	78%	0.784	S	S	*	*			trans	-139.5	141.8	156.2	-78.9	-160.9	-50.8	0	0	109.6
713	H	24.4	Very low	26.8	Very low	150 Å²	150	139 Å²	139	69%	0.694	79%	0.785	S	S	*	*			trans	-90.9	159.4	-178.5	-53.2	-111.5	0	0	0	110.4
714	I	24.2	Very low	26.8	Very low	166 Å²	166	139.8 Å²	139.8	85%	0.851	79%	0.788	S	S	*	*				-172	144.1	121.3	-97.9	155.5	0	0	0	110.2
715	T	28.8	Very low	26.8	Very low	117 Å²	117	140.8 Å²	140.8	72%	0.718	79%	0.788	S	S	*	*			trans	-75.4	143.4	174.1	50.9	0	0	0	0	112.1
716	K	28.1	Very low	26.5	Very low	195 Å²	195	144.5 Å²	144.5	85%	0.848	80%	0.796	S	S	*	*			trans	172.5	162.1	134.2	-98.7	160.2	-175.1	-179.2	0	114.5
717	S	25.2	Very low	26.6	Very low	116 Å²	116	146.1 Å²	146.1	81%	0.811	80%	0.796	S	S	*	*			trans	82.3	138.6	152.3	-63.6	0	0	0	0	121.1
718	L	28.7	Very low	26.6	Very low	170 Å²	170	144.5 Å²	144.5	89%	0.89	80%	0.796	S	S	*	*	S	Bend	trans	-60.6	164.2	160.2	-74.5	148.2	0	0	0	112.4
719	A	26.5	Very low	26.8	Very low	100 Å²	100	148.1 Å²	148.1	83%	0.826	81%	0.805	S	S	*	*			trans	59.5	85.9	154.6	0	0	0	0	0	118.2
720	S	24.6	Very low	26.7	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	80%	0.796	S	S	*	*				-158.2	133	128	55.8	0	0	0	0	112
721	L	26.8	Very low	26.6	Very low	151 Å²	151	144 Å²	144	79%	0.791	80%	0.797	S	S	*	*				168.1	93	122.9	-91.1	167.2	0	0	0	110.1
722	T	28.4	Very low	26.5	Very low	113 Å²	113	142.7 Å²	142.7	69%	0.693	80%	0.799	S	S	*	*			trans	-69.1	158.3	147.1	47.3	0	0	0	0	109.3
723	D	26.8	Very low	27.1	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	80%	0.797	S	S	*	*			trans	58.4	112.2	165.2	-50.1	-43.3	0	0	0	118.2
724	I	27.2	Very low	27.1	Very low	167 Å²	167	136 Å²	136	86%	0.856	80%	0.798	S	S	*	*			trans	-131	120.5	131.6	-91	134.5	0	0	0	108.4
725	Q	25	Very low	27.2	Very low	156 Å²	156	133.2 Å²	133.2	73%	0.729	79%	0.794	S	S	*	*			trans	-48.8	145.2	176.5	172	171.4	-22.8	0	0	115.4	D727	Q725-D727 PolarHBondContact NE2-OD2 2.68Å
726	E	31.2	Very low	27.2	Very low	187 Å²	187	136.1 Å²	136.1	87%	0.874	80%	0.804	S	S	*	*			trans	-70.3	130.8	157.7	-67.3	-174.1	141.1	0	0	109.7
727	D	26.4	Very low	27.1	Very low	148 Å²	148	131.1 Å²	131.1	79%	0.791	80%	0.799	S	S	*	*			trans	-150.7	137.6	152.3	-107.8	-51.6	0	0	0	109.1	Q725	Q725-D727 PolarHBondContact NE2-OD2 2.68Å
728	G	27.2	Very low	27.2	Very low	68 Å²	68	133.9 Å²	133.9	70%	0.701	80%	0.804	S	S	*	*			trans	-135.2	126.1	-162.5	0	0	0	0	0	115.3
729	L	28.1	Very low	27.1	Very low	186 Å²	186	130.5 Å²	130.5	97%	0.974	79%	0.794	S	S	*	*			trans	-144.5	148	165.3	-63.1	174.1	0	0	0	107.7
730	G	24	Very low	27.1	Very low	59 Å²	59	132 Å²	132	61%	0.608	79%	0.792	S	S	*	*			cis	153.7	127.2	-4.5	0	0	0	0	0	110.9
731	L	24.8	Very low	28	Very low	168 Å²	168	131.5 Å²	131.5	88%	0.88	79%	0.787	S	S	*	*			trans	72.3	139.2	-179.1	-58.6	125.2	0	0	0	115
732	V	23.7	Very low	27.9	Very low	133 Å²	133	131.7 Å²	131.7	81%	0.806	79%	0.788	S	S	*	*			cis	111.7	138.1	21.2	163.2	0	0	0	0	111.2
733	P	39	Very low	27.7	Very low	127 Å²	127	136.9 Å²	136.9	83%	0.825	80%	0.795	S	S	*	*				-128.3	-175.5	-129.1	45	-34.2	0	0	0	116.4
734	G	24.5	Very low	27.7	Very low	70 Å²	70	135.8 Å²	135.8	72%	0.722	79%	0.789	S	S	*	*			trans	-167.5	136.2	154.9	0	0	0	0	0	110.9
735	S	26.1	Very low	28.6	Very low	109 Å²	109	132.1 Å²	132.1	76%	0.762	78%	0.776	S	S	*	*			cis	110.8	114.2	17.2	177.4	0	0	0	0	112.8
736	L	29.2	Very low	28.8	Very low	178 Å²	178	132.6 Å²	132.6	93%	0.932	78%	0.776	S	S	*	*			trans	-143.6	140.5	150.8	-78	-174.2	0	0	0	108.4
737	A	26.4	Very low	28.6	Very low	89 Å²	89	129.9 Å²	129.9	74%	0.736	76%	0.763	S	S	*	*			trans	-161.2	161.5	-168.2	0	0	0	0	0	115
738	L	26.7	Very low	28.6	Very low	175 Å²	175	132.3 Å²	132.3	92%	0.916	76%	0.761	S	S	*	*			trans	-157.3	160.1	165.3	-68.4	179.5	0	0	0	107.2
739	S	27	Very low	28.5	Very low	98 Å²	98	135 Å²	135	69%	0.685	76%	0.755	S	S	*	*			cis	-155.3	153.5	-19.6	49.6	0	0	0	0	107
740	V	27.1	Very low	28.5	Very low	131 Å²	131	136.5 Å²	136.5	79%	0.794	75%	0.748	S	S	*	*			cis	81.8	130.3	31.6	177.5	0	0	0	0	111.9
741	P	43.5	Very low	28.8	Very low	103 Å²	103	137.9 Å²	137.9	67%	0.669	75%	0.753	S	S	*	*			cis	-138	-171.8	20.8	33	-9.1	0	0	0	118.5
742	L	24.6	Very low	28.9	Very low	154 Å²	154	136 Å²	136	81%	0.806	76%	0.755	S	S	*	*			trans	87.6	136.3	158.3	-60.9	139.2	0	0	0	119.1
743	R	24.5	Very low	29.8	Very low	222 Å²	222	141.1 Å²	141.1	84%	0.838	76%	0.76	S	S	*	*			cis	-163.4	150.2	-28.2	-145.5	-167.6	-170.4	-142.5	3.7	110.2
744	D	26.6	Very low	29.4	Very low	123 Å²	123	141.3 Å²	141.3	66%	0.658	76%	0.759	S	S	*	*			trans	-125.5	157	169.8	-176.6	34.1	0	0	0	109.4
745	P	45.6	Very low	29.5	Very low	90 Å²	90	145.2 Å²	145.2	58%	0.584	76%	0.761	S	S	*	*				-158.1	130.2	113.8	35.9	-14.7	0	0	0	118.9
746	F	27.8	Very low	29.3	Very low	166 Å²	166	145.3 Å²	145.3	73%	0.728	76%	0.762	S	S	*	*				57.3	166.4	127.9	-68.7	-73.8	0	0	0	121.9
747	H	28	Very low	29.3	Very low	131 Å²	131	144 Å²	144	61%	0.606	76%	0.755	S	S	*	*			cis	-154.3	157.2	4.8	-135.7	-72.1	0	0	0	112.8
748	R	26.6	Very low	30	Very low	199 Å²	199	145.9 Å²	145.9	75%	0.751	76%	0.76	S	S	*	*			trans	-2.7	166.9	156.6	-69	-173.4	-160.8	176.2	4.5	123
749	E	25.7	Very low	30.3	Very low	123 Å²	123	142.2 Å²	142.2	58%	0.575	74%	0.744	S	S	*	*			cis	-154	178.5	9.3	-135.1	173.6	116.8	0	0	114.6
750	R	28.2	Very low	30.6	Very low	218 Å²	218	148 Å²	148	82%	0.823	75%	0.751	S	S	*	*			trans	-8.9	154.1	160	-74.5	172.9	171.7	155.9	-11.3	120.6
751	A	29.1	Very low	30.7	Very low	88 Å²	88	144.9 Å²	144.9	73%	0.727	75%	0.745	S	S	*	*			cis	-173.3	164.3	-9.9	0	0	0	0	0	111.4
752	S	27.6	Very low	29.9	Very low	130 Å²	130	147.9 Å²	147.9	91%	0.909	75%	0.75	S	S	*	*			trans	-162.6	166	160.8	-89.2	0	0	0	0	112.6
753	R	41.4	Very low	30.1	Very low	240 Å²	240	145.8 Å²	145.8	91%	0.906	74%	0.744	S	S	*	*			trans	-119.5	155.3	179.4	-74.6	-178	171.6	-179.6	-2.1	112.3
754	T	31.4	Very low	30.2	Very low	131 Å²	131	144.5 Å²	144.5	80%	0.804	74%	0.744	S	S	*	*			trans	127.5	150.1	133.7	-40.8	0	0	0	0	114.5
755	I	25.8	Very low	31.7	Very low	152 Å²	152	144.2 Å²	144.2	78%	0.779	75%	0.749	S	S	*	*			trans	98.9	104.4	164.3	-53.7	-174.8	0	0	0	118.5
756	S	23.1	Very low	30.7	Very low	111 Å²	111	149.9 Å²	149.9	78%	0.776	76%	0.759	S	S	*	*			trans	53.2	120.5	150.1	66.6	0	0	0	0	125.2
757	L	29.1	Very low	30.5	Very low	150 Å²	150	149.1 Å²	149.1	79%	0.785	76%	0.758	S	S	*	*			trans	-85.2	166.6	147.5	-84.5	172	0	0	0	110.6	V759	L757-V759 HydrophobicContact CB-CG2 4.38Å; L757-V759 HydrophobicContact CD1-CG2 4.28Å; L757-V759 HydrophobicContact CD2-CG2 4.44Å
758	P	40.4	Very low	30.4	Very low	129 Å²	129	147.7 Å²	147.7	84%	0.838	76%	0.762	S	S	*	*				-151.6	-179.9	68.9	31.8	-7.1	0	0	0	117.9
759	V	34.1	Very low	30.5	Very low	97 Å²	97	149.2 Å²	149.2	59%	0.588	77%	0.768	S	S	*	*			cis	-173.3	142.6	-47.2	128.2	0	0	0	0	111.9	L757	L757-V759 HydrophobicContact CB-CG2 4.38Å; L757-V759 HydrophobicContact CD1-CG2 4.28Å; L757-V759 HydrophobicContact CD2-CG2 4.44Å
760	R	32.3	Very low	30.4	Very low	221 Å²	221	146.8 Å²	146.8	83%	0.834	78%	0.777	S	S	*	*			trans	61.2	154.5	163.7	-83.4	173.7	168.7	137.6	-0.6	120.8
761	G	28.6	Very low	30.2	Very low	64 Å²	64	146.1 Å²	146.1	66%	0.66	78%	0.775	S	S	*	*			cis	157.5	158.5	-13.7	0	0	0	0	0	117.1
762	H	27.8	Very low	29.9	Very low	166 Å²	166	148.2 Å²	148.2	77%	0.769	77%	0.774	S	S	*	*			trans	84	171.9	163.8	-53.5	-71.7	0	0	0	120.7
763	T	28	Very low	29.7	Very low	111 Å²	111	149.1 Å²	149.1	68%	0.681	78%	0.775	S	S	*	*			trans	-149.3	138.6	-136.4	46	0	0	0	0	118.1
764	F	26.8	Very low	29.3	Very low	194 Å²	194	142.5 Å²	142.5	85%	0.851	77%	0.765	S	S	*	*			trans	60.9	165.4	148.2	-66	-50.6	0	0	0	121.4
765	P	58.3	Low	30.4	Very low	117 Å²	117	141.3 Å²	141.3	76%	0.76	76%	0.76	S	S	*	*			cis	-139.7	-172.7	-38.2	39	-21.3	0	0	0	116
766	R	25.2	Very low	30.4	Very low	210 Å²	210	141.9 Å²	141.9	79%	0.792	76%	0.763	S	S	*	*			trans	104	140.6	148.9	-138.3	-165.1	-169.1	-119.4	3.8	120.4
767	Q	24.1	Very low	30.8	Very low	149 Å²	149	142.5 Å²	142.5	70%	0.696	76%	0.762	S	S	*	*			trans	86	116.9	157.5	-53	-153.1	56.2	0	0	122.8
768	S	25.3	Very low	30.6	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	77%	0.77	S	S	*	*				63.9	129.1	124	-152.5	0	0	0	0	123.9
769	R	27.6	Very low	30	Very low	231 Å²	231	152.4 Å²	152.4	87%	0.872	77%	0.772	S	S	*	*			trans	23.4	114.5	146.9	-67.8	178.8	168.2	175.2	-3.2	120.4
770	G	23.8	Very low	29.8	Very low	73 Å²	73	157.2 Å²	157.2	75%	0.753	79%	0.785	S	S	*	*			trans	-138.1	131.7	134.9	0	0	0	0	0	107
771	Y	24.4	Very low	29.5	Very low	203 Å²	203	150.5 Å²	150.5	80%	0.796	77%	0.772	S	S	*	*			cis	64.2	119.6	42	-90.8	-73.3	0	0	0	115.8
772	D	23	Very low	29.4	Very low	132 Å²	132	157.3 Å²	157.3	71%	0.706	78%	0.779	S	S	*	*			trans	49.6	119.9	160.6	-63.9	-34.5	0	0	0	122.6
773	T	23.8	Very low	29.3	Very low	149 Å²	149	156.5 Å²	156.5	91%	0.914	78%	0.781	S	S	*	*			trans	-126.5	83.7	142.8	42.1	0	0	0	0	111.7
774	S	31.6	Very low	29.2	Very low	102 Å²	102	160.4 Å²	160.4	71%	0.713	78%	0.783	S	S	*	*			trans	-76	171	145.1	-78.8	0	0	0	0	109.8
775	P	55.5	Low	29.1	Very low	106 Å²	106	156.8 Å²	156.8	69%	0.688	78%	0.781	S	S	*	*			cis	-127.4	-165.3	-30.7	36.6	-19.5	0	0	0	110.5
776	I	26.5	Very low	27.5	Very low	163 Å²	163	160.3 Å²	160.3	84%	0.836	78%	0.781	S	S	*	*				-172.9	153.5	124.1	-102.9	168.2	0	0	0	113.4
777	T	29.9	Very low	27.6	Very low	124 Å²	124	162 Å²	162	76%	0.761	79%	0.788	S	S	*	*			trans	-102.4	165.9	-173.7	57.7	0	0	0	0	113.4
778	R	25.6	Very low	28.2	Very low	253 Å²	253	159.9 Å²	159.9	96%	0.955	79%	0.786	S	S	*	*			trans	-150.9	153.6	144.7	-125.6	-178.9	-175.9	-149.2	0	114.1
779	R	27.4	Very low	28.4	Very low	234 Å²	234	161.9 Å²	161.9	88%	0.883	80%	0.795	S	S	*	*			trans	-86.2	158.7	-170.6	-57.3	166.1	166.6	175.5	-7.4	113.8
780	K	30.3	Very low	28.5	Very low	199 Å²	199	158.4 Å²	158.4	87%	0.865	79%	0.793	S	S	*	*				160.3	154.4	122.8	-90.3	-171.4	176.6	-169.4	0	109.8
781	S	26	Very low	28.8	Very low	80 Å²	80	161.6 Å²	161.6	56%	0.559	80%	0.798	S	S	*	*			cis	-166.9	-179.4	-13.2	45.2	0	0	0	0	110
782	Y	27.1	Very low	29.2	Very low	207 Å²	207	162.7 Å²	162.7	81%	0.812	80%	0.802	S	S	*	*			trans	74.5	141.2	177.6	-58.2	-75	0	0	0	116.4
783	D	25	Very low	29.9	Very low	149 Å²	149	162.8 Å²	162.8	80%	0.797	81%	0.808	S	S	*	*			cis	-153.5	172.8	-29.6	-146.4	-22.6	0	0	0	110.3
784	R	26.1	Very low	30.6	Very low	193 Å²	193	161 Å²	161	73%	0.728	80%	0.798	S	S	*	*			trans	-131.4	119.6	177.7	-176.2	-177	-175.6	177	2.6	112	Y786	R784-Y786 HydrophobicContact CG-CD2 4.23Å
785	S	24.1	Very low	30.7	Very low	117 Å²	117	162.4 Å²	162.4	82%	0.818	81%	0.806	S	S	*	*			trans	-120.2	145.1	164.1	50.1	0	0	0	0	110.8
786	Y	24.6	Very low	29.5	Very low	191 Å²	191	163.1 Å²	163.1	75%	0.749	81%	0.813	S	S	*	*			trans	-153	127.9	-175.7	-114.2	-103	0	0	0	107.6	R784	R784-Y786 HydrophobicContact CG-CD2 4.23Å
787	R	28.1	Very low	29.8	Very low	247 Å²	247	160.7 Å²	160.7	93%	0.932	81%	0.81	S	S	*	*			trans	-160.5	156	154.8	-94	-113.6	172.6	-175.3	-2.1	109.7
788	P	37.4	Very low	30.2	Very low	103 Å²	103	160.4 Å²	160.4	67%	0.669	81%	0.811	S	S	*	*			trans	-114.3	168.1	-159.7	41.4	-32.3	0	0	0	114.6
789	T	29.3	Very low	30.7	Very low	144 Å²	144	154.6 Å²	154.6	88%	0.883	81%	0.806	S	S	*	*			trans	-161.5	137	151.3	11.5	0	0	0	0	109.6
790	D	29	Very low	30.7	Very low	157 Å²	157	151.9 Å²	151.9	84%	0.84	81%	0.808	S	S	*	*			trans	-92.9	133.1	179.7	-63.1	-71	0	0	0	112.6
791	V	29.4	Very low	30.8	Very low	141 Å²	141	154 Å²	154	86%	0.855	81%	0.811	S	S	*	*			trans	-144.4	141.3	156.2	-175.5	0	0	0	0	108.8
792	Y	34.1	Very low	31	Very low	225 Å²	225	157.1 Å²	157.1	88%	0.882	83%	0.826	S	S	*	*			trans	-69.7	133.6	-174.1	-79.7	-114.2	0	0	0	114.3
793	T	37.8	Very low	31	Very low	135 Å²	135	157 Å²	157	83%	0.828	82%	0.824	S	S	*	*			trans	-168.4	147	143.2	8.4	0	0	0	0	110.3
794	P	37.8	Very low	31.5	Very low	110 Å²	110	157.2 Å²	157.2	71%	0.714	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-79.7	153.4	-176.8	32.2	-34.5	0	0	0	113
795	P	33.9	Very low	31.9	Very low	133 Å²	133	153 Å²	153	86%	0.864	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.3	137.4	-174.8	29	-35.2	0	0	0	113.2
796	S	29.7	Very low	32.7	Very low	121 Å²	121	157.7 Å²	157.7	85%	0.846	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-82.9	156	176	-69	0	0	0	0	113.2
797	S	33.5	Very low	33.6	Very low	111 Å²	111	154.3 Å²	154.3	78%	0.776	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-63.5	155.3	-178.2	-50.4	0	0	0	0	114
798	P	38	Very low	34.4	Very low	118 Å²	118	147.6 Å²	147.6	77%	0.766	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-65	150.7	-177.4	26.2	-35.5	0	0	0	113.5
799	P	35.5	Very low	34.2	Very low	132 Å²	132	150.6 Å²	150.6	86%	0.857	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72.6	144.5	-168.5	28.4	-35.7	0	0	0	114.3
800	L	29	Very low	35	Very low	176 Å²	176	146.9 Å²	146.9	92%	0.921	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-67.7	142.3	177.2	-70.6	159.1	0	0	0	112.1
801	R	32	Very low	35.9	Very low	245 Å²	245	148.5 Å²	148.5	93%	0.925	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-66.5	152.1	166.6	-81.6	-178.4	170.1	159.2	-2.9	110.9	R803	R801-R803 PolarHBondContact O-N 3.38Å
802	T	30.1	Very low	36.4	Very low	145 Å²	145	148 Å²	148	89%	0.89	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-58.1	127.8	178	39.5	0	0	0	0	111.9
803	R	27.4	Very low	36.6	Very low	204 Å²	204	141.8 Å²	141.8	77%	0.77	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-77.4	124.3	-178.5	175.8	177.6	161	164.8	-3.8	109.9	R801 D805	R801-R803 PolarHBondContact O-N 3.38Å; R803-D805 WeakPolarHBondContact CD-OD2 3.36Å; R803-D805 WeakPolarHBondContact CG-OD2 3.28Å; R803-D805 IonicContact CZ-OD1 2.69Å; R803-D805 VanDerWaalsContact CZ-OD1 3.24Å; R803-D805 IonicContact CZ-OD2 2.84Å; R803-D805 IonicContact NE-OD1 3.63Å; R803-D805 PolarHBondContact NE-OD1 3.19Å; R803-D805 IonicContact NE-OD2 2.78Å; R803-D805 PolarHBondContact NE-OD2 3.07Å; R803-D805 IonicContact NH2-OD1 3.76Å; R803-D805 PolarHBondContact NH2-OD1 2.83Å; R803-D805 IonicContact NH2-OD2 2.59Å
804	N	34.7	Very low	36.6	Very low	154 Å²	154	139 Å²	139	82%	0.824	74%	0.738	S	S	*	*			trans	-101.1	87.7	179.7	-163.9	4.6	0	0	0	109.5	R806	N804-R806 PolarHBondContact O-N 3.38Å
805	D	34.3	Very low	36.5	Very low	103 Å²	103	140.5 Å²	140.5	55%	0.551	74%	0.741	S	S	*	*			trans	-71.8	91.8	-175.2	-81.5	-62.4	0	0	0	112.2	R803	R803-D805 WeakPolarHBondContact CD-OD2 3.36Å; R803-D805 WeakPolarHBondContact CG-OD2 3.28Å; R803-D805 IonicContact CZ-OD1 2.69Å; R803-D805 VanDerWaalsContact CZ-OD1 3.24Å; R803-D805 IonicContact CZ-OD2 2.84Å; R803-D805 IonicContact NE-OD1 3.63Å; R803-D805 PolarHBondContact NE-OD1 3.19Å; R803-D805 IonicContact NE-OD2 2.78Å; R803-D805 PolarHBondContact NE-OD2 3.07Å; R803-D805 IonicContact NH2-OD1 3.76Å; R803-D805 PolarHBondContact NH2-OD1 2.83Å; R803-D805 IonicContact NH2-OD2 2.59Å
806	R	41.3	Very low	36.6	Very low	217 Å²	217	143.1 Å²	143.1	82%	0.819	74%	0.741	S	S	*	*			trans	-103	118.5	161.6	-120.8	178	176.7	-180	-2.2	108.9	N804	N804-R806 PolarHBondContact O-N 3.38Å
807	N	42.6	Very low	37	Very low	120 Å²	120	141.5 Å²	141.5	64%	0.642	74%	0.735	S	S	*	*			trans	-55.8	142.3	-166.2	-75.3	-38.3	0	0	0	114.2	F809 S810	N807-F809 VanDerWaalsContact C-N 3.26Å; N807-F809 PolarHBondContact O-N 3.27Å; N807-S810 PolarHBondContact O-N 3.24Å; N807-S810 PolarHBondContact O-OG 3.38Å
808	V	44.8	Very low	36.8	Very low	106 Å²	106	145 Å²	145	64%	0.642	74%	0.739	S	S	*	*	S	Bend	trans	-61.2	-35.9	177.7	-179.8	0	0	0	0	111.5	S810 R811 L812	V808-S810 VanDerWaalsContact C-N 3.31Å; V808-S810 PolarHBondContact O-N 3.27Å; V808-R811 WeakPolarHBondContact O-CB 3.28Å; V808-R811 PolarHBondContact O-N 3.24Å; V808-L812 HydrophobicContact CG1-CD1 4.18Å
809	F	33.8	Very low	36.4	Very low	165 Å²	165	142.2 Å²	142.2	72%	0.724	73%	0.733	S	S	*	*	H	α-helix	trans	-53.6	-45.4	175.4	-115.2	-95.7	0	0	0	112.6	N807 R811 L812 T813	N807-F809 VanDerWaalsContact C-N 3.26Å; N807-F809 PolarHBondContact O-N 3.27Å; F809-R811 PolarHBondContact O-N 2.71Å; F809-R811 VanDerWaalsContact O-N 3.09Å; F809-L812 PolarHBondContact O-N 3.13Å; F809-T813 HydrophobicContact CD1-CG2 4.11Å; F809-T813 PolarHBondContact O-N 2.75Å; F809-T813 PolarHBondContact O-OG1 3.02Å
810	S	45.8	Very low	36.4	Very low	66 Å²	66	142.4 Å²	142.4	46%	0.462	74%	0.737	S	S	.	*	H	α-helix	trans	-68.9	-1.6	178	31.9	0	0	0	0	115.3	N807 V808	N807-S810 PolarHBondContact O-N 3.24Å; N807-S810 PolarHBondContact O-OG 3.38Å; V808-S810 VanDerWaalsContact C-N 3.31Å; V808-S810 PolarHBondContact O-N 3.27Å
811	R	48.7	Very low	36.4	Very low	191 Å²	191	137.3 Å²	137.3	72%	0.721	72%	0.72	S	S	*	*	H	α-helix	trans	-101	-11.8	166.7	-75.2	-179.7	166.7	149.2	-4.6	113.8	V808 F809	V808-R811 WeakPolarHBondContact O-CB 3.28Å; V808-R811 PolarHBondContact O-N 3.24Å; F809-R811 PolarHBondContact O-N 2.71Å; F809-R811 VanDerWaalsContact O-N 3.09Å
812	L	39.1	Very low	36.6	Very low	131 Å²	131	134.3 Å²	134.3	69%	0.686	72%	0.721	S	S	*	*	H	α-helix	trans	-104.2	-31.7	-177.3	-65.4	173.2	0	0	0	111.7	V808 F809	V808-L812 HydrophobicContact CG1-CD1 4.18Å; F809-L812 PolarHBondContact O-N 3.13Å
813	T	38.8	Very low	37.6	Very low	95 Å²	95	133.4 Å²	133.4	58%	0.583	71%	0.711	S	S	*	*	S	Bend	trans	-84.8	-11.6	176.8	60.3	0	0	0	0	114.2	F809 N815	F809-T813 HydrophobicContact CD1-CG2 4.11Å; F809-T813 PolarHBondContact O-N 2.75Å; F809-T813 PolarHBondContact O-OG1 3.02Å; T813-N815 VanDerWaalsContact C-N 3.25Å; T813-N815 PolarHBondContact O-N 2.92Å
814	S	38.6	Very low	39.7	Very low	75 Å²	75	130.5 Å²	130.5	52%	0.524	70%	0.704	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.9	-12.6	-175.1	56.9	0	0	0	0	115
815	N	35.8	Very low	42.1	Very low	142 Å²	142	123.2 Å²	123.2	76%	0.759	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	14.8	-168.8	-67.8	11.1	0	0	0	113.9	T813	T813-N815 VanDerWaalsContact C-N 3.25Å; T813-N815 PolarHBondContact O-N 2.92Å
816	Q	36	Very low	44.8	Very low	189 Å²	189	120.4 Å²	120.4	88%	0.883	65%	0.652	S	S	*	*	S	Bend	trans	-138.8	26.8	-177.2	-148.5	175.7	11	0	0	115.8
817	A	37.2	Very low	47.2	Very low	87 Å²	87	110.8 Å²	110.8	72%	0.719	62%	0.617	S	S	*	*	S	Bend	trans	-163.9	68.1	164	0	0	0	0	0	114.4
818	Q	30.4	Very low	49.5	Very low	183 Å²	183	108.4 Å²	108.4	86%	0.855	60%	0.604	S	S	*	*			trans	177.6	125.5	145.2	-103.3	171.9	20.5	0	0	110.9
819	G	28.8	Very low	51.4	Low	61 Å²	61	108 Å²	108	63%	0.629	60%	0.604	S	S	*	*			trans	-89.5	157.7	164.5	0	0	0	0	0	111.3
820	S	34.6	Very low	53.7	Low	136 Å²	136	103.7 Å²	103.7	95%	0.951	59%	0.588	S	S	*	*	S	Bend	trans	49.9	62.9	164.7	59.9	0	0	0	0	117.2
821	A	29.7	Very low	54	Low	69 Å²	69	103.6 Å²	103.6	57%	0.57	60%	0.597	S	S	*	*			trans	-139	14.7	175.2	0	0	0	0	0	115.6
822	L	36.5	Very low	53.9	Low	181 Å²	181	97.3 Å²	97.3	95%	0.948	59%	0.592	S	S	*	*			trans	-112.5	12.1	-171.5	-71.6	176	0	0	0	115.7
823	D	50.9	Low	54	Low	126 Å²	126	96.6 Å²	96.6	67%	0.674	59%	0.593	S	S	*	*	S	Bend	trans	-112	23.4	-174.6	-161.4	44.9	0	0	0	113.8
824	K	72	Confident	54.2	Low	143 Å²	143	102.7 Å²	102.7	62%	0.622	61%	0.611	S	S	*	*			trans	-123.4	136.4	-178.8	-67.8	-163.2	173.1	-156.1	0	112.5
825	G	83.7	Confident	54.1	Low	2 Å²	2	102.4 Å²	102.4	2%	0.021	62%	0.619	C	S	.	*			trans	-75.5	154.9	174.4	0	0	0	0	0	113.8	E848 E883	G825-E848 CarbonylContact C-O 3.58Å; G825-E848 WeakPolarHBondContact CA-O 3.49Å; G825-E883 PolarHBondContact N-OE2 3.35Å; G825-E883 WeakPolarHBondContact O-CB 3.5Å; G825-E883 PolarHBondContact O-N 3.07Å
826	V	91.8	Very high	54.4	Low	44 Å²	44	98 Å²	98	27%	0.267	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.3	143.2	179.8	-179	0	0	0	0	110.9	E848 G881	V826-E848 PolarHBondContact N-O 3.06Å; V826-E848 PolarHBondContact O-N 3.43Å; V826-G881 CarbonylContact C-O 3.52Å; V826-G881 WeakPolarHBondContact CA-O 3.34Å
827	I	91.8	Very high	54.9	Low	14 Å²	14	99.7 Å²	99.7	7%	0.072	61%	0.606	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.6	97.9	168.8	-52.8	-173.8	0	0	0	108.3	P829 V846 A847 L864 W876 L878 G881 L1154	I827-P829 WeakPolarHBondContact O-CD 3.49Å; I827-V846 CarbonylContact C-O 3.54Å; I827-V846 WeakPolarHBondContact CA-O 3.42Å; I827-A847 HydrophobicContact CG1-CB 3.97Å; I827-L864 HydrophobicContact CD1-CD2 4.48Å; I827-W876 HydrophobicContact CD1-CB 4.09Å; I827-W876 HydrophobicContact CD1-CE3 4.41Å; I827-W876 HydrophobicContact CG1-CE3 3.81Å; I827-W876 HydrophobicContact CG1-CZ3 4.39Å; I827-L878 HydrophobicContact CD1-CD2 4.04Å; I827-G881 PolarHBondContact N-O 2.98Å; I827-L1154 HydrophobicContact CG2-CD1 4.14Å; I827-L1154 HydrophobicContact CG2-CD2 4.3Å
828	N	89.8	Confident	55.5	Low	70 Å²	70	100.4 Å²	100.4	37%	0.374	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.2	118.2	-178.7	-74.4	-43.1	0	0	0	110.7	S845 V846 E848	N828-S845 CarbonylContact O-C 3.54Å; N828-S845 VanDerWaalsContact O-CA 3.3Å; N828-S845 WeakPolarHBondContact O-CA 3.5Å; N828-V846 PolarHBondContact N-O 2.63Å; N828-V846 PolarHBondContact O-N 2.75Å; N828-E848 PolarHBondContact ND2-OE2 3.19Å
829	P	85.9	Confident	57	Low	99 Å²	99	92.9 Å²	92.9	64%	0.643	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.6	133	173.7	28.8	-33.7	0	0	0	110.7	I827 G831	I827-P829 WeakPolarHBondContact O-CD 3.49Å; P829-G831 PolarHBondContact O-N 2.8Å; P829-G831 VanDerWaalsContact O-N 3.12Å
830	I	81.4	Confident	59	Low	74 Å²	74	90 Å²	90	38%	0.379	54%	0.542	S	S	.	.			trans	-74.5	104.4	174	-57.2	-175.4	0	0	0	107.9	G832 C843 V844 V846	I830-G832 PolarHBondContact O-N 2.94Å; I830-G832 VanDerWaalsContact O-N 3.11Å; I830-C843 HydrophobicContact CD1-CB 3.9Å; I830-C843 WeakPolarHBondContact CD1-SG 3.47Å; I830-V844 PolarHBondContact N-O 3.26Å; I830-V846 HydrophobicContact CD1-CG2 3.78Å; I830-V846 HydrophobicContact CG1-CG2 3.94Å
831	G	52.3	Low	61.4	Low	64 Å²	64	83.8 Å²	83.8	66%	0.66	50%	0.497	S	S	*	.			trans	-49.7	119.1	175.7	0	0	0	0	0	111.2	P829 V833	P829-G831 PolarHBondContact O-N 2.8Å; P829-G831 VanDerWaalsContact O-N 3.12Å; G831-V833 PolarHBondContact O-N 3.41Å
832	G	46	Very low	64.1	Low	59 Å²	59	85 Å²	85	61%	0.608	49%	0.492	S	S	*	.			trans	-56.8	101.6	-162.6	0	0	0	0	0	114.2	I830 K834	I830-G832 PolarHBondContact O-N 2.94Å; I830-G832 VanDerWaalsContact O-N 3.11Å; G832-K834 PolarHBondContact O-N 3.33Å
833	V	43.2	Very low	66.6	Low	116 Å²	116	77.5 Å²	77.5	70%	0.703	45%	0.454	S	S	*	.			trans	-67.2	101.4	179.1	-177.3	0	0	0	0	109.4	G831 G835	G831-V833 PolarHBondContact O-N 3.41Å; V833-G835 PolarHBondContact O-N 3.21Å
834	K	41	Very low	68.5	Low	223 Å²	223	73.6 Å²	73.6	97%	0.97	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	60.9	173.2	-67	-178.2	178.1	177.8	0	111.2	G832	G832-K834 PolarHBondContact O-N 3.33Å
835	G	37.1	Very low	69.5	Low	68 Å²	68	67.6 Å²	67.6	70%	0.701	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-171.1	24.9	-169.2	0	0	0	0	0	117.1	V833	V833-G835 PolarHBondContact O-N 3.21Å
836	G	42.3	Very low	70	Confident	51 Å²	51	68.1 Å²	68.1	53%	0.526	41%	0.413	S	S	.	.			trans	-151.2	54.5	-175.2	0	0	0	0	0	115.9	T838	G836-T838 VanDerWaalsContact C-N 3.29Å; G836-T838 PolarHBondContact O-N 2.99Å
837	R	45.9	Very low	70.1	Confident	223 Å²	223	66.1 Å²	66.1	84%	0.842	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	57.1	-176.7	-63.6	-173.9	179.6	-172.4	0.7	113.8	L1161	R837-L1161 HydrophobicContact CB-CD2 4.02Å
838	T	51.4	Low	70.2	Confident	102 Å²	102	68.3 Å²	68.3	63%	0.626	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.1	0.2	-170.7	52.4	0	0	0	0	117.3	G836	G836-T838 VanDerWaalsContact C-N 3.29Å; G836-T838 PolarHBondContact O-N 2.99Å
839	A	61.4	Low	70.3	Confident	25 Å²	25	66.9 Å²	66.9	21%	0.207	41%	0.413	C	S	.	.			trans	-128.9	145.3	179.9	0	0	0	0	0	111.8	L841 V1126 L1161	A839-L841 VanDerWaalsContact C-N 3.34Å; A839-V1126 HydrophobicContact CB-CG2 4.09Å; A839-L1161 CarbonylContact C-O 3.52Å; A839-L1161 WeakPolarHBondContact O-CB 3.37Å
840	P	70.4	Confident	70.7	Confident	2 Å²	2	63 Å²	63	1%	0.013	39%	0.386	C	S	.	.	S	Bend	trans	-81.5	-15.9	-178.7	33.3	-34.1	0	0	0	112.8	V1114 Y1157 V1158 L1161	P840-V1114 HydrophobicContact CG-CG2 4.45Å; P840-Y1157 HydrophobicContact CB-CE2 3.97Å; P840-Y1157 WeakPolarHBondContact O-CA 3.32Å; P840-V1158 PolarHBondContact O-N 2.86Å; P840-L1161 WeakPolarHBondContact CA-O 3.43Å
841	L	84.5	Confident	71.3	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.021	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.6	171.5	-69.2	172.7	0	0	0	109	A839 L1104 V1114 V1126 I1143 W1155 N1156 Y1157	A839-L841 VanDerWaalsContact C-N 3.34Å; L841-L1104 HydrophobicContact CD1-CD1 3.69Å; L841-L1104 HydrophobicContact CD1-CD2 4.43Å; L841-V1114 HydrophobicContact CD1-CG2 3.71Å; L841-V1114 HydrophobicContact CG-CG2 4.07Å; L841-V1126 HydrophobicContact CB-CG1 4.29Å; L841-V1126 HydrophobicContact CD1-CG1 4.21Å; L841-I1143 HydrophobicContact CD2-CD1 3.66Å; L841-W1155 HydrophobicContact CB-CE3 4.06Å; L841-N1156 WeakPolarHBondContact CA-O 3.42Å; L841-Y1157 HydrophobicContact CD2-CD2 4.13Å
842	Q	86.6	Confident	73.4	Confident	96 Å²	96	65.5 Å²	65.5	45%	0.449	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.6	174.9	179.2	177.5	-14.7	0	0	109.3	V844 W1155 N1156 V1158	Q842-V844 PolarHBondContact O-N 3.24Å; Q842-W1155 WeakPolarHBondContact O-CA 3.33Å; Q842-N1156 PolarHBondContact N-O 2.65Å; Q842-N1156 PolarHBondContact O-N 3.18Å; Q842-V1158 HydrophobicContact CB-CG2 3.98Å
843	C	90.1	Very high	75.9	Confident	22 Å²	22	64.2 Å²	64.2	15%	0.149	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126.5	169.6	-169.9	0	0	0	0	109.2	I830 L1154 W1155	I830-C843 HydrophobicContact CD1-CB 3.9Å; I830-C843 WeakPolarHBondContact CD1-SG 3.47Å; C843-L1154 CarbonylContact C-O 3.52Å; C843-L1154 WeakPolarHBondContact CA-O 3.24Å; C843-L1154 PolarHBondContact SG-O 2.89Å; C843-W1155 HydrophobicContact CB-CD2 3.97Å; C843-W1155 HydrophobicContact CB-CE3 3.69Å; C843-W1155 HydrophobicContact CB-CH2 3.97Å; C843-W1155 HydrophobicContact CB-CZ2 4.25Å; C843-W1155 HydrophobicContact CB-CZ3 3.7Å; C843-W1155 VanDerWaalsContact N-CE3 3.28Å
844	V	90.3	Very high	78.5	Confident	44 Å²	44	58.8 Å²	58.8	27%	0.267	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-41.6	-176.6	-177.1	0	0	0	0	110.8	I830 Q842 L1154 N1156	I830-V844 PolarHBondContact N-O 3.26Å; Q842-V844 PolarHBondContact O-N 3.24Å; V844-L1154 PolarHBondContact N-O 3.39Å; V844-N1156 HydrophobicContact CG2-CB 3.87Å
845	S	91.8	Very high	81.2	Confident	17 Å²	17	49.7 Å²	49.7	12%	0.119	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	161.3	-175.9	-51.2	0	0	0	0	111.9	N828 L1154	N828-S845 CarbonylContact O-C 3.54Å; N828-S845 VanDerWaalsContact O-CA 3.3Å; N828-S845 WeakPolarHBondContact O-CA 3.5Å; S845-L1154 PolarHBondContact O-N 3.1Å
846	V	94.7	Very high	84	Confident	14 Å²	14	47 Å²	47	9%	0.085	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.2	176	-166.8	0	0	0	0	109.6	I827 N828 I830 E848 R1151 V1152 K1153	I827-V846 CarbonylContact C-O 3.54Å; I827-V846 WeakPolarHBondContact CA-O 3.42Å; N828-V846 PolarHBondContact N-O 2.63Å; N828-V846 PolarHBondContact O-N 2.75Å; I830-V846 HydrophobicContact CD1-CG2 3.78Å; I830-V846 HydrophobicContact CG1-CG2 3.94Å; V846-E848 HydrophobicContact CG1-CG 4.02Å; V846-R1151 HydrophobicContact CG1-CB 3.82Å; V846-R1151 HydrophobicContact CG1-CG 4.11Å; V846-V1152 CarbonylContact C-O 3.54Å; V846-V1152 WeakPolarHBondContact CA-O 3.31Å; V846-K1153 HydrophobicContact CG1-CG 4.19Å; V846-K1153 HydrophobicContact CG2-CG 4.23Å
847	A	94.7	Very high	86.7	Confident	2 Å²	2	45 Å²	45	2%	0.017	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.5	167.2	0	0	0	0	0	109.7	I827 W876 V1152	I827-A847 HydrophobicContact CG1-CB 3.97Å; A847-W876 HydrophobicContact CB-CE3 4.21Å; A847-W876 HydrophobicContact CB-CH2 4.11Å; A847-W876 HydrophobicContact CB-CZ2 4.42Å; A847-W876 HydrophobicContact CB-CZ3 3.98Å; A847-V1152 HydrophobicContact CB-CB 4.17Å; A847-V1152 PolarHBondContact N-O 3.25Å; A847-V1152 PolarHBondContact O-N 3.26Å
848	E	93.8	Very high	89.1	Confident	60 Å²	60	35.4 Å²	35.4	28%	0.28	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.3	179.4	-64	179.3	124.7	0	0	109	G825 V826 N828 V846 W876 R1151	G825-E848 CarbonylContact C-O 3.58Å; G825-E848 WeakPolarHBondContact CA-O 3.49Å; V826-E848 PolarHBondContact N-O 3.06Å; V826-E848 PolarHBondContact O-N 3.43Å; N828-E848 PolarHBondContact ND2-OE2 3.19Å; V846-E848 HydrophobicContact CG1-CG 4.02Å; E848-W876 WeakPolarHBondContact O-CH2 3.5Å; E848-R1151 HydrophobicContact CG-CG 4.35Å; E848-R1151 IonicContact OE1-CZ 2.73Å; E848-R1151 IonicContact OE1-NH1 2.77Å; E848-R1151 PolarHBondContact OE1-NH1 3.1Å; E848-R1151 IonicContact OE1-NH2 2.71Å; E848-R1151 PolarHBondContact OE1-NH2 3.19Å
849	G	90.8	Very high	91.2	Very high	39 Å²	39	31.3 Å²	31.3	40%	0.402	19%	0.187	S	C	.	.			trans	157.9	-14	-179.2	0	0	0	0	0	116.4	K874	G849-K874 VanDerWaalsContact O-CE 3.29Å; G849-K874 WeakPolarHBondContact O-CE 3.39Å
850	H	94.9	Very high	92.8	Very high	17 Å²	17	31.8 Å²	31.8	8%	0.079	19%	0.187	C	C	.	.			trans	-76	148.3	165.3	-84.7	-67.1	0	0	0	111.2	V854 T866 S868 D870 T872	H850-V854 HydrophobicContact CB-CG2 4.08Å; H850-T866 PolarHBondContact CD2-OG1 3.26Å; H850-T866 PolarHBondContact NE2-O 3.09Å; H850-T866 VanDerWaalsContact NE2-O 3.11Å; H850-T866 PolarHBondContact NE2-OG1 3.42Å; H850-S868 WeakPolarHBondContact CE1-CB 3.28Å; H850-S868 WeakPolarHBondContact ND1-CB 3.22Å; H850-D870 WeakPolarHBondContact CA-OD2 3.43Å; H850-D870 IonicContact CE1-OD1 3.56Å; H850-D870 IonicContact CG-OD2 3.71Å; H850-D870 IonicContact ND1-OD1 2.94Å; H850-D870 PolarHBondContact ND1-OD1 2.89Å; H850-D870 IonicContact ND1-OD2 2.67Å; H850-D870 PolarHBondContact ND1-OD2 3.33Å; H850-T872 PolarHBondContact CE1-OG1 2.89Å; H850-T872 VanDerWaalsContact CE1-OG1 3.26Å; H850-T872 PolarHBondContact ND1-OG1 3.11Å
851	S	93.9	Very high	93.8	Very high	91 Å²	91	34.8 Å²	34.8	64%	0.636	20%	0.203	S	C	*	.	S	Bend	trans	-94.8	-7	-179.4	62.1	0	0	0	0	113.8	D870	S851-D870 PolarHBondContact N-OD2 2.67Å; S851-D870 WeakPolarHBondContact OG-CB 3.2Å; S851-D870 PolarHBondContact OG-OD2 2.75Å
852	K	96.5	Very high	94.2	Very high	101 Å²	101	41 Å²	41	44%	0.439	23%	0.232	S	C	.	.	S	Bend	trans	-148.7	166.1	-177.1	-70.6	-173.7	-179.6	177.4	0	111.2	V854 S868 K869 D870 C1150	K852-V854 PolarHBondContact O-N 3.25Å; K852-S868 PolarHBondContact O-OG 3.05Å; K852-K869 HydrophobicContact CB-CB 3.96Å; K852-K869 HydrophobicContact CD-CB 4.26Å; K852-K869 VanDerWaalsContact CD-O 3.24Å; K852-K869 WeakPolarHBondContact CD-O 3.38Å; K852-D870 HydrophobicContact CB-CB 3.99Å; K852-D870 HydrophobicContact CD-CB 4.24Å; K852-D870 HydrophobicContact CG-CB 4.17Å; K852-C1150 WeakPolarHBondContact CA-SG 3.47Å
853	P	97.7	Very high	94.6	Very high	32 Å²	32	37.8 Å²	37.8	21%	0.208	22%	0.218	C	C	.	.			trans	-39.3	125.7	177.4	-39.1	38.4	0	0	0	115.6	S868 K869	P853-S868 WeakPolarHBondContact O-CA 3.44Å; P853-S868 PolarHBondContact O-OG 2.89Å; P853-S868 VanDerWaalsContact O-OG 3.07Å; P853-K869 HydrophobicContact CB-CD 4.13Å; P853-K869 HydrophobicContact CB-CG 4.16Å; P853-K869 HydrophobicContact CG-CD 4.39Å; P853-K869 PolarHBondContact O-N 3.16Å
854	V	98.1	Very high	94.9	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.7	172.6	-170.4	0	0	0	0	107.7	H850 K852 V857 G867 N1134 A1146 S1147 V1152	H850-V854 HydrophobicContact CB-CG2 4.08Å; K852-V854 PolarHBondContact O-N 3.25Å; V854-V857 HydrophobicContact CG1-CG1 4.34Å; V854-G867 CarbonylContact C-O 3.52Å; V854-G867 WeakPolarHBondContact CG1-O 3.32Å; V854-N1134 PolarHBondContact O-ND2 3.43Å; V854-A1146 HydrophobicContact CB-CB 4.26Å; V854-A1146 HydrophobicContact CG1-CB 3.97Å; V854-S1147 PolarHBondContact N-O 3.15Å; V854-S1147 VanDerWaalsContact N-O 3.16Å; V854-V1152 HydrophobicContact CB-CG2 4.37Å; V854-V1152 HydrophobicContact CG1-CG2 3.89Å; V854-V1152 HydrophobicContact CG2-CG2 4.32Å
855	L	97.8	Very high	95.2	Very high	32 Å²	32	34.8 Å²	34.8	17%	0.168	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-45.6	-175.2	-65.3	-175	0	0	0	112.1	G867 K869 N893 V895 N1134 A1135	L855-G867 PolarHBondContact N-O 3.19Å; L855-K869 HydrophobicContact CD1-CG 3.91Å; L855-K869 HydrophobicContact CD2-CD 4.48Å; L855-K869 HydrophobicContact CD2-CG 4.02Å; L855-K869 HydrophobicContact CG-CG 3.97Å; L855-N893 HydrophobicContact CD1-CB 3.85Å; L855-V895 HydrophobicContact CD1-CG1 4.09Å; L855-N1134 CarbonylContact O-C 3.6Å; L855-N1134 WeakPolarHBondContact O-CB 3.48Å; L855-A1135 VanDerWaalsContact O-CB 3.26Å; L855-A1135 WeakPolarHBondContact O-CB 3.47Å
856	C	97.4	Very high	95.5	Very high	11 Å²	11	34 Å²	34	7%	0.074	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.2	-171.3	52.9	0	0	0	0	111.4	G867 V894 V895 S896 V897	C856-G867 PolarHBondContact N-O 2.93Å; C856-G867 PolarHBondContact O-N 3.13Å; C856-G867 VanDerWaalsContact SG-CA 3.6Å; C856-V894 PolarHBondContact SG-O 3.33Å; C856-V895 WeakPolarHBondContact CB-O 3.48Å; C856-V895 PolarHBondContact SG-O 3.36Å; C856-S896 VanDerWaalsContact SG-C 3.58Å; C856-S896 WeakPolarHBondContact SG-CA 3.44Å; C856-S896 PolarHBondContact SG-N 3.32Å; C856-V897 HydrophobicContact CB-CG2 4.29Å
857	V	97.9	Very high	95.7	Very high	9 Å²	9	33.3 Å²	33.3	6%	0.055	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145.7	177.5	-77.2	0	0	0	0	110.9	V854 L864 F865 T866 A1135 C1137 A1146 V1152	V854-V857 HydrophobicContact CG1-CG1 4.34Å; V857-L864 HydrophobicContact CB-CD1 4.49Å; V857-L864 HydrophobicContact CG1-CD1 4.48Å; V857-F865 WeakPolarHBondContact CA-O 3.29Å; V857-T866 HydrophobicContact CG1-CG2 4.05Å; V857-A1135 HydrophobicContact CG2-CB 3.99Å; V857-C1137 HydrophobicContact CG2-CB 4.11Å; V857-A1146 HydrophobicContact CB-CB 4.46Å; V857-A1146 HydrophobicContact CG1-CB 3.68Å; V857-A1146 HydrophobicContact CG2-CB 4Å; V857-V1152 HydrophobicContact CG1-CG1 4.09Å; V857-V1152 HydrophobicContact CG1-CG2 3.77Å
858	D	97.3	Very high	95.8	Very high	22 Å²	22	33.2 Å²	33.2	12%	0.118	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	140.9	172.1	-159.2	44.7	0	0	0	109	F865 V897 K898 Y899	D858-F865 HydrophobicContact CB-CB 4.49Å; D858-F865 PolarHBondContact N-O 2.91Å; D858-F865 PolarHBondContact O-N 3.41Å; D858-V897 HydrophobicContact CB-CG2 4.14Å; D858-K898 IonicContact OD1-NZ 2.63Å; D858-K898 PolarHBondContact OD1-NZ 3.06Å; D858-K898 WeakPolarHBondContact OD2-CA 3.44Å; D858-Y899 PolarHBondContact OD2-N 2.94Å
859	A	95.6	Very high	95.9	Very high	16 Å²	16	34.6 Å²	34.6	13%	0.132	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	134	-169.6	0	0	0	0	0	112.9	L864 N1139 F1144	A859-L864 HydrophobicContact CB-CD1 4.09Å; A859-N1139 HydrophobicContact CB-CB 4.49Å; A859-F1144 HydrophobicContact CB-CD2 3.65Å; A859-F1144 HydrophobicContact CB-CE2 3.44Å; A859-F1144 VanDerWaalsContact CB-CE2 3.44Å; A859-F1144 HydrophobicContact CB-CG 4.31Å; A859-F1144 HydrophobicContact CB-CZ 3.94Å
860	T	94	Very high	96.1	Very high	36 Å²	36	34 Å²	34	22%	0.221	18%	0.181	C	C	.	.			trans	-98.7	-173.6	161.7	63.1	0	0	0	0	109	E862 L863 L878 Y899 P901 N1139	T860-E862 VanDerWaalsContact C-N 3.3Å; T860-E862 PolarHBondContact O-N 3.4Å; T860-E862 PolarHBondContact OG1-N 2.88Å; T860-L863 PolarHBondContact N-O 3.11Å; T860-L863 WeakPolarHBondContact OG1-CA 3.45Å; T860-L863 PolarHBondContact OG1-N 2.95Å; T860-L863 PolarHBondContact OG1-O 3.48Å; T860-L878 VanDerWaalsContact O-CD1 3.26Å; T860-L878 WeakPolarHBondContact O-CD1 3.5Å; T860-Y899 HydrophobicContact CG2-CD1 3.62Å; T860-Y899 HydrophobicContact CG2-CE1 4Å; T860-P901 HydrophobicContact CG2-CG 4.36Å; T860-N1139 WeakPolarHBondContact O-CB 3.41Å; T860-N1139 PolarHBondContact O-ND2 3.23Å
861	D	92.3	Very high	96	Very high	65 Å²	65	35.7 Å²	35.7	35%	0.348	19%	0.187	S	C	.	.	S	Bend	trans	-72.7	-20	174.8	-78.5	5.7	0	0	0	113.8	N1139 S1140	D861-N1139 WeakPolarHBondContact OD1-CB 3.4Å; D861-S1140 WeakPolarHBondContact OD1-CB 3.39Å; D861-S1140 PolarHBondContact OD1-N 3.45Å; D861-S1140 PolarHBondContact OD1-OG 3.44Å; D861-S1140 VanDerWaalsContact OD1-OG 3.09Å; D861-S1140 WeakPolarHBondContact OD2-CB 3.48Å; D861-S1140 PolarHBondContact OD2-OG 3.46Å
862	E	92.3	Very high	96.1	Very high	133 Å²	133	32.2 Å²	32.2	62%	0.621	16%	0.161	S	C	*	.	S	Bend	trans	-117.1	-31.3	-176.4	-59.9	-168.4	163.7	0	0	114.2	T860 L878	T860-E862 VanDerWaalsContact C-N 3.3Å; T860-E862 PolarHBondContact O-N 3.4Å; T860-E862 PolarHBondContact OG1-N 2.88Å; E862-L878 WeakPolarHBondContact O-CB 3.49Å; E862-L878 PolarHBondContact O-N 3.11Å
863	L	94.2	Very high	96.1	Very high	30 Å²	30	27.5 Å²	27.5	16%	0.157	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135	-177.5	-60.1	179.3	0	0	0	111.7	T860 F865 M875 W876 I884 I919	T860-L863 PolarHBondContact N-O 3.11Å; T860-L863 WeakPolarHBondContact OG1-CA 3.45Å; T860-L863 PolarHBondContact OG1-N 2.95Å; T860-L863 PolarHBondContact OG1-O 3.48Å; L863-F865 HydrophobicContact CB-CE2 3.84Å; L863-F865 HydrophobicContact CB-CZ 4.15Å; L863-F865 HydrophobicContact CD1-CE2 4.48Å; L863-F865 HydrophobicContact CD1-CZ 4.09Å; L863-M875 HydrophobicContact CD1-SD 4.4Å; L863-W876 WeakPolarHBondContact CA-O 3.45Å; L863-I884 HydrophobicContact CD2-CD1 3.46Å; L863-I884 VanDerWaalsContact CD2-CD1 3.46Å; L863-I919 HydrophobicContact CD1-CD1 3.88Å
864	L	96.7	Very high	96	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.4	168.8	165	70.7	0	0	0	109.3	I827 V857 A859 T866 M875 W876 L878 F1144	I827-L864 HydrophobicContact CD1-CD2 4.48Å; V857-L864 HydrophobicContact CB-CD1 4.49Å; V857-L864 HydrophobicContact CG1-CD1 4.48Å; A859-L864 HydrophobicContact CB-CD1 4.09Å; L864-T866 HydrophobicContact CD1-CG2 4.14Å; L864-T866 HydrophobicContact CD2-CG2 4.07Å; L864-T866 HydrophobicContact CG-CG2 3.86Å; L864-M875 WeakPolarHBondContact O-CA 3.38Å; L864-W876 HydrophobicContact CB-CB 4.29Å; L864-W876 HydrophobicContact CD2-CG 4.47Å; L864-W876 PolarHBondContact N-O 3.3Å; L864-W876 PolarHBondContact O-N 3.39Å; L864-L878 HydrophobicContact CB-CD1 4.35Å; L864-L878 HydrophobicContact CB-CD2 3.78Å; L864-L878 HydrophobicContact CB-CG 4.08Å; L864-L878 HydrophobicContact CD2-CD2 4.29Å; L864-F1144 HydrophobicContact CD1-CD1 3.84Å; L864-F1144 HydrophobicContact CD1-CE1 4.23Å; L864-F1144 HydrophobicContact CD1-CG 4.23Å; L864-F1144 HydrophobicContact CD2-CD1 4.04Å; L864-F1144 HydrophobicContact CD2-CE1 4.16Å
865	F	97.4	Very high	95.8	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.013	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.3	175.5	-59.2	-92.6	0	0	0	109.4	V857 D858 L863 K874 M875 V897 Y899 A906 I919	V857-F865 WeakPolarHBondContact CA-O 3.29Å; D858-F865 HydrophobicContact CB-CB 4.49Å; D858-F865 PolarHBondContact N-O 2.91Å; D858-F865 PolarHBondContact O-N 3.41Å; L863-F865 HydrophobicContact CB-CE2 3.84Å; L863-F865 HydrophobicContact CB-CZ 4.15Å; L863-F865 HydrophobicContact CD1-CE2 4.48Å; L863-F865 HydrophobicContact CD1-CZ 4.09Å; F865-K874 WeakPolarHBondContact CA-O 3.37Å; F865-M875 HydrophobicContact CD1-CB 4.21Å; F865-M875 HydrophobicContact CD1-CG 4.07Å; F865-M875 HydrophobicContact CD1-SD 4.49Å; F865-M875 HydrophobicContact CE1-CB 4.15Å; F865-M875 HydrophobicContact CE1-CG 3.61Å; F865-M875 HydrophobicContact CE1-SD 3.54Å; F865-M875 VanDerWaalsContact CE1-SD 3.54Å; F865-M875 HydrophobicContact CZ-CG 4.11Å; F865-M875 HydrophobicContact CZ-SD 3.94Å; F865-V897 HydrophobicContact CB-CG2 4.27Å; F865-Y899 HydrophobicContact CD2-CG 4.44Å; F865-Y899 HydrophobicContact CE1-CD2 4.46Å; F865-Y899 VanDerWaalsContact CE2-CB 3.47Å; F865-Y899 AromaticContact CE2-CD1 3.95Å; F865-Y899 HydrophobicContact CE2-CD1 3.95Å; F865-Y899 HydrophobicContact CE2-CD2 4.06Å; F865-Y899 AromaticContact CE2-CG 3.54Å; F865-Y899 HydrophobicContact CE2-CG 3.54Å; F865-Y899 HydrophobicContact CZ-CD1 4.29Å; F865-Y899 AromaticContact CZ-CD2 3.68Å; F865-Y899 HydrophobicContact CZ-CD2 3.68Å; F865-Y899 HydrophobicContact CZ-CE2 4.31Å; F865-Y899 AromaticContact CZ-CG 3.68Å; F865-Y899 HydrophobicContact CZ-CG 3.68Å; F865-A906 HydrophobicContact CD1-CB 4.44Å; F865-A906 HydrophobicContact CE1-CB 4Å; F865-I919 HydrophobicContact CE1-CD1 4.25Å; F865-I919 HydrophobicContact CZ-CD1 3.89Å
866	T	97.9	Very high	95.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	118.7	-176	65.6	0	0	0	0	110.5	H850 V857 L864 C873 K874 W876 V1152	H850-T866 PolarHBondContact CD2-OG1 3.26Å; H850-T866 PolarHBondContact NE2-O 3.09Å; H850-T866 VanDerWaalsContact NE2-O 3.11Å; H850-T866 PolarHBondContact NE2-OG1 3.42Å; V857-T866 HydrophobicContact CG1-CG2 4.05Å; L864-T866 HydrophobicContact CD1-CG2 4.14Å; L864-T866 HydrophobicContact CD2-CG2 4.07Å; L864-T866 HydrophobicContact CG-CG2 3.86Å; T866-C873 CarbonylContact O-C 3.55Å; T866-C873 VanDerWaalsContact O-CA 3.24Å; T866-C873 WeakPolarHBondContact O-CA 3.45Å; T866-K874 PolarHBondContact N-O 3.12Å; T866-K874 PolarHBondContact O-N 3.34Å; T866-W876 VanDerWaalsContact CG2-NE1 3.34Å; T866-W876 PolarHBondContact OG1-NE1 2.89Å; T866-V1152 HydrophobicContact CG2-CG2 3.8Å
867	G	97.7	Very high	95.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	137.6	177	0	0	0	0	0	112.3	V854 L855 C856	V854-G867 CarbonylContact C-O 3.52Å; V854-G867 WeakPolarHBondContact CG1-O 3.32Å; L855-G867 PolarHBondContact N-O 3.19Å; C856-G867 PolarHBondContact N-O 2.93Å; C856-G867 PolarHBondContact O-N 3.13Å; C856-G867 VanDerWaalsContact SG-CA 3.6Å
868	S	97.7	Very high	95.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	161.3	-171.7	173.2	0	0	0	0	114.7	H850 K852 P853 D870 R871 T872 V894	H850-S868 WeakPolarHBondContact CE1-CB 3.28Å; H850-S868 WeakPolarHBondContact ND1-CB 3.22Å; K852-S868 PolarHBondContact O-OG 3.05Å; P853-S868 WeakPolarHBondContact O-CA 3.44Å; P853-S868 PolarHBondContact O-OG 2.89Å; P853-S868 VanDerWaalsContact O-OG 3.07Å; S868-D870 WeakPolarHBondContact CB-OD1 3.31Å; S868-D870 PolarHBondContact O-N 3.31Å; S868-D870 VanDerWaalsContact O-N 3.17Å; S868-D870 PolarHBondContact OG-N 3.23Å; S868-D870 VanDerWaalsContact OG-N 3.08Å; S868-D870 PolarHBondContact OG-OD1 2.88Å; S868-R871 PolarHBondContact O-N 3.38Å; S868-T872 PolarHBondContact N-O 3.23Å; S868-T872 VanDerWaalsContact N-O 3.13Å; S868-V894 PolarHBondContact O-N 3Å
869	K	96.4	Very high	94.9	Very high	88 Å²	88	32.8 Å²	32.8	38%	0.383	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-5.3	164.5	-64.8	-161.5	-179.2	-169.8	0	114.3	K852 P853 L855 R871 N893	K852-K869 HydrophobicContact CB-CB 3.96Å; K852-K869 HydrophobicContact CD-CB 4.26Å; K852-K869 VanDerWaalsContact CD-O 3.24Å; K852-K869 WeakPolarHBondContact CD-O 3.38Å; P853-K869 HydrophobicContact CB-CD 4.13Å; P853-K869 HydrophobicContact CB-CG 4.16Å; P853-K869 HydrophobicContact CG-CD 4.39Å; P853-K869 PolarHBondContact O-N 3.16Å; L855-K869 HydrophobicContact CD1-CG 3.91Å; L855-K869 HydrophobicContact CD2-CD 4.48Å; L855-K869 HydrophobicContact CD2-CG 4.02Å; L855-K869 HydrophobicContact CG-CG 3.97Å; K869-R871 PolarHBondContact O-N 2.95Å; K869-N893 VanDerWaalsContact CA-OD1 3.27Å; K869-N893 WeakPolarHBondContact CA-OD1 3.35Å; K869-N893 VanDerWaalsContact CB-OD1 3.31Å; K869-N893 WeakPolarHBondContact CB-OD1 3.15Å; K869-N893 HydrophobicContact CG-CB 4.37Å; K869-N893 WeakPolarHBondContact CG-OD1 3.2Å
870	D	93.9	Very high	94.7	Very high	26 Å²	26	36.3 Å²	36.3	14%	0.139	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	8.5	170.1	67.8	22.4	0	0	0	114.7	H850 S851 K852 S868 T872	H850-D870 WeakPolarHBondContact CA-OD2 3.43Å; H850-D870 IonicContact CE1-OD1 3.56Å; H850-D870 IonicContact CG-OD2 3.71Å; H850-D870 IonicContact ND1-OD1 2.94Å; H850-D870 PolarHBondContact ND1-OD1 2.89Å; H850-D870 IonicContact ND1-OD2 2.67Å; H850-D870 PolarHBondContact ND1-OD2 3.33Å; S851-D870 PolarHBondContact N-OD2 2.67Å; S851-D870 WeakPolarHBondContact OG-CB 3.2Å; S851-D870 PolarHBondContact OG-OD2 2.75Å; K852-D870 HydrophobicContact CB-CB 3.99Å; K852-D870 HydrophobicContact CD-CB 4.24Å; K852-D870 HydrophobicContact CG-CB 4.17Å; S868-D870 WeakPolarHBondContact CB-OD1 3.31Å; S868-D870 PolarHBondContact O-N 3.31Å; S868-D870 VanDerWaalsContact O-N 3.17Å; S868-D870 PolarHBondContact OG-N 3.23Å; S868-D870 VanDerWaalsContact OG-N 3.08Å; S868-D870 PolarHBondContact OG-OD1 2.88Å; D870-T872 PolarHBondContact O-N 3.24Å; D870-T872 WeakPolarHBondContact OD1-CB 3.49Å; D870-T872 PolarHBondContact OD1-N 2.92Å; D870-T872 VanDerWaalsContact OD1-N 3.16Å; D870-T872 PolarHBondContact OD1-OG1 3.07Å
871	R	94.1	Very high	94.4	Very high	54 Å²	54	35.1 Å²	35.1	20%	0.204	18%	0.184	C	C	.	.	S	Bend	trans	67.1	18.9	179	-43.9	-173.7	166.5	-173.8	-14.1	113.7	S868 K869 H890 P891 N892 T945 T946	S868-R871 PolarHBondContact O-N 3.38Å; K869-R871 PolarHBondContact O-N 2.95Å; R871-H890 HydrophobicContact CB-CB 4.3Å; R871-H890 WeakPolarHBondContact CD-O 3.41Å; R871-H890 WeakPolarHBondContact O-CB 3.21Å; R871-H890 PolarHBondContact O-ND1 3.17Å; R871-P891 PolarHBondContact NE-O 3.05Å; R871-P891 PolarHBondContact NH1-O 3.35Å; R871-P891 PolarHBondContact NH2-O 2.9Å; R871-N892 WeakPolarHBondContact CA-O 3.3Å; R871-N892 WeakPolarHBondContact CB-O 3.31Å; R871-N892 WeakPolarHBondContact CG-O 3.05Å; R871-T945 PolarHBondContact NH1-O 2.8Å; R871-T946 PolarHBondContact NH1-O 3.43Å; R871-T946 PolarHBondContact NH2-O 3.25Å
872	T	94.4	Very high	94.3	Very high	17 Å²	17	36 Å²	36	10%	0.104	19%	0.186	C	C	.	.			trans	-117.6	149.6	174.3	74.4	0	0	0	0	112.1	H850 S868 D870 T886 L887 K888	H850-T872 PolarHBondContact CE1-OG1 2.89Å; H850-T872 VanDerWaalsContact CE1-OG1 3.26Å; H850-T872 PolarHBondContact ND1-OG1 3.11Å; S868-T872 PolarHBondContact N-O 3.23Å; S868-T872 VanDerWaalsContact N-O 3.13Å; D870-T872 PolarHBondContact O-N 3.24Å; D870-T872 WeakPolarHBondContact OD1-CB 3.49Å; D870-T872 PolarHBondContact OD1-N 2.92Å; D870-T872 VanDerWaalsContact OD1-N 3.16Å; D870-T872 PolarHBondContact OD1-OG1 3.07Å; T872-T886 HydrophobicContact CG2-CG2 3.76Å; T872-L887 WeakPolarHBondContact CA-O 3.37Å; T872-K888 HydrophobicContact CG2-CG 4.11Å
873	C	96.4	Very high	94.4	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.02	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.4	154.9	175.1	0	0	0	0	107.7	T866 L887 V894 V897	T866-C873 CarbonylContact O-C 3.55Å; T866-C873 VanDerWaalsContact O-CA 3.24Å; T866-C873 WeakPolarHBondContact O-CA 3.45Å; C873-L887 HydrophobicContact CB-CB 4.12Å; C873-L887 HydrophobicContact CB-CD1 4.15Å; C873-L887 HydrophobicContact CB-CG 4.45Å; C873-L887 PolarHBondContact N-O 3.31Å; C873-L887 WeakPolarHBondContact O-CB 3.46Å; C873-L887 PolarHBondContact O-N 3.39Å; C873-V894 HydrophobicContact CB-CG1 4.44Å; C873-V897 HydrophobicContact CB-CG1 4.2Å
874	K	95.5	Very high	94.3	Very high	15 Å²	15	32 Å²	32	7%	0.065	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.8	175.3	-71.3	179.4	172.8	-81.7	0	110.1	G849 F865 T866 W876 E883 T886	G849-K874 VanDerWaalsContact O-CE 3.29Å; G849-K874 WeakPolarHBondContact O-CE 3.39Å; F865-K874 WeakPolarHBondContact CA-O 3.37Å; T866-K874 PolarHBondContact N-O 3.12Å; T866-K874 PolarHBondContact O-N 3.34Å; K874-W876 HydrophobicContact CB-CZ2 4.02Å; K874-W876 VanDerWaalsContact CB-NE1 3.34Å; K874-W876 HydrophobicContact CD-CZ2 3.84Å; K874-W876 VanDerWaalsContact O-CD1 3.27Å; K874-W876 PolarHBondContact O-NE1 3.25Å; K874-E883 WeakPolarHBondContact CG-OE1 3.38Å; K874-E883 IonicContact NZ-OE1 2.76Å; K874-E883 PolarHBondContact NZ-OE1 3.16Å; K874-E883 IonicContact NZ-OE2 2.77Å; K874-E883 PolarHBondContact NZ-OE2 2.77Å; K874-T886 HydrophobicContact CG-CG2 4.02Å
875	M	95.3	Very high	94	Very high	10 Å²	10	33 Å²	33	5%	0.049	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.9	175.7	-175.4	173.5	75.5	0	0	109.4	L863 L864 F865 I884 A885 I919	L863-M875 HydrophobicContact CD1-SD 4.4Å; L864-M875 WeakPolarHBondContact O-CA 3.38Å; F865-M875 HydrophobicContact CD1-CB 4.21Å; F865-M875 HydrophobicContact CD1-CG 4.07Å; F865-M875 HydrophobicContact CD1-SD 4.49Å; F865-M875 HydrophobicContact CE1-CB 4.15Å; F865-M875 HydrophobicContact CE1-CG 3.61Å; F865-M875 HydrophobicContact CE1-SD 3.54Å; F865-M875 VanDerWaalsContact CE1-SD 3.54Å; F865-M875 HydrophobicContact CZ-CG 4.11Å; F865-M875 HydrophobicContact CZ-SD 3.94Å; M875-I884 HydrophobicContact CE-CB 3.89Å; M875-I884 HydrophobicContact CE-CD1 4.06Å; M875-I884 HydrophobicContact CE-CG2 3.77Å; M875-I884 HydrophobicContact CG-CD1 4.3Å; M875-I884 PolarHBondContact O-N 2.71Å; M875-A885 HydrophobicContact CE-CB 4.22Å; M875-A885 PolarHBondContact N-O 2.9Å; M875-A885 PolarHBondContact O-N 3.29Å; M875-I919 HydrophobicContact CE-CB 4.35Å; M875-I919 HydrophobicContact SD-CB 4.07Å; M875-I919 HydrophobicContact SD-CD1 3.59Å; M875-I919 VanDerWaalsContact SD-CD1 3.59Å; M875-I919 HydrophobicContact SD-CG1 4.46Å; M875-I919 HydrophobicContact SD-CG2 4.09Å
876	W	95	Very high	93.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139	-170.9	-47.1	71.4	0	0	0	110.4	I827 A847 E848 L863 L864 T866 K874 E883	I827-W876 HydrophobicContact CD1-CB 4.09Å; I827-W876 HydrophobicContact CD1-CE3 4.41Å; I827-W876 HydrophobicContact CG1-CE3 3.81Å; I827-W876 HydrophobicContact CG1-CZ3 4.39Å; A847-W876 HydrophobicContact CB-CE3 4.21Å; A847-W876 HydrophobicContact CB-CH2 4.11Å; A847-W876 HydrophobicContact CB-CZ2 4.42Å; A847-W876 HydrophobicContact CB-CZ3 3.98Å; E848-W876 WeakPolarHBondContact O-CH2 3.5Å; L863-W876 WeakPolarHBondContact CA-O 3.45Å; L864-W876 HydrophobicContact CB-CB 4.29Å; L864-W876 HydrophobicContact CD2-CG 4.47Å; L864-W876 PolarHBondContact N-O 3.3Å; L864-W876 PolarHBondContact O-N 3.39Å; T866-W876 VanDerWaalsContact CG2-NE1 3.34Å; T866-W876 PolarHBondContact OG1-NE1 2.89Å; K874-W876 HydrophobicContact CB-CZ2 4.02Å; K874-W876 VanDerWaalsContact CB-NE1 3.34Å; K874-W876 HydrophobicContact CD-CZ2 3.84Å; K874-W876 VanDerWaalsContact O-CD1 3.27Å; K874-W876 PolarHBondContact O-NE1 3.25Å; W876-E883 HydrophobicContact CE3-CB 4.36Å
877	N	93	Very high	93.6	Very high	39 Å²	39	34.8 Å²	34.8	21%	0.209	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.2	171.8	-170.1	-69.1	0	0	0	109.5	V879 T880 G881 Q882 I884	N877-V879 VanDerWaalsContact C-N 3.33Å; N877-V879 WeakPolarHBondContact OD1-CA 3.44Å; N877-V879 WeakPolarHBondContact OD1-CB 3.3Å; N877-V879 PolarHBondContact OD1-N 3.35Å; N877-T880 WeakPolarHBondContact CB-OG1 3.3Å; N877-T880 PolarHBondContact OD1-N 2.7Å; N877-T880 PolarHBondContact OD1-OG1 3.34Å; N877-G881 VanDerWaalsContact O-CA 3.25Å; N877-G881 WeakPolarHBondContact O-CA 3.42Å; N877-G881 PolarHBondContact O-N 2.88Å; N877-Q882 PolarHBondContact N-O 3.3Å; N877-I884 HydrophobicContact CB-CD1 3.82Å; N877-I884 HydrophobicContact CB-CG1 3.86Å
878	L	93.4	Very high	93.3	Very high	36 Å²	36	40 Å²	40	19%	0.188	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-19.3	-179.3	-68.2	174.9	0	0	0	113.5	I827 T860 E862 L864 F1144 L1154	I827-L878 HydrophobicContact CD1-CD2 4.04Å; T860-L878 VanDerWaalsContact O-CD1 3.26Å; T860-L878 WeakPolarHBondContact O-CD1 3.5Å; E862-L878 WeakPolarHBondContact O-CB 3.49Å; E862-L878 PolarHBondContact O-N 3.11Å; L864-L878 HydrophobicContact CB-CD1 4.35Å; L864-L878 HydrophobicContact CB-CD2 3.78Å; L864-L878 HydrophobicContact CB-CG 4.08Å; L864-L878 HydrophobicContact CD2-CD2 4.29Å; L878-F1144 HydrophobicContact CD1-CE1 4.35Å; L878-F1144 HydrophobicContact CD1-CZ 3.88Å; L878-F1144 HydrophobicContact CD2-CE1 3.72Å; L878-F1144 HydrophobicContact CD2-CZ 4.07Å; L878-L1154 HydrophobicContact CD2-CD2 4.17Å
879	V	90.6	Very high	92.7	Very high	115 Å²	115	41.8 Å²	41.8	70%	0.697	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-43.4	179.3	-173	0	0	0	0	111.4	N877	N877-V879 VanDerWaalsContact C-N 3.33Å; N877-V879 WeakPolarHBondContact OD1-CA 3.44Å; N877-V879 WeakPolarHBondContact OD1-CB 3.3Å; N877-V879 PolarHBondContact OD1-N 3.35Å
880	T	89.5	Confident	92.5	Very high	91 Å²	91	37.9 Å²	37.9	56%	0.558	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-15.4	179.9	69.5	0	0	0	0	113.7	N877 Q882	N877-T880 WeakPolarHBondContact CB-OG1 3.3Å; N877-T880 PolarHBondContact OD1-N 2.7Å; N877-T880 PolarHBondContact OD1-OG1 3.34Å; T880-Q882 VanDerWaalsContact C-N 3.29Å; T880-Q882 PolarHBondContact O-N 2.67Å
881	G	89	Confident	92.3	Very high	10 Å²	10	37.3 Å²	37.3	10%	0.103	21%	0.209	C	C	.	.			trans	67.7	24.1	-177.3	0	0	0	0	0	114.3	V826 I827 N877	V826-G881 CarbonylContact C-O 3.52Å; V826-G881 WeakPolarHBondContact CA-O 3.34Å; I827-G881 PolarHBondContact N-O 2.98Å; N877-G881 VanDerWaalsContact O-CA 3.25Å; N877-G881 WeakPolarHBondContact O-CA 3.42Å; N877-G881 PolarHBondContact O-N 2.88Å
882	Q	90.8	Very high	92.2	Very high	84 Å²	84	35.9 Å²	35.9	39%	0.393	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-111.6	147.4	-178.2	-63.3	-62.3	-57.1	0	0	112.2	N877 T880 I884	N877-Q882 PolarHBondContact N-O 3.3Å; T880-Q882 VanDerWaalsContact C-N 3.29Å; T880-Q882 PolarHBondContact O-N 2.67Å; Q882-I884 PolarHBondContact O-N 2.68Å
883	E	93.6	Very high	92.2	Very high	5 Å²	5	37.4 Å²	37.4	2%	0.023	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	121.8	163.6	-175.4	-179.9	172.5	0	0	110.6	G825 K874 W876 T886	G825-E883 PolarHBondContact N-OE2 3.35Å; G825-E883 WeakPolarHBondContact O-CB 3.5Å; G825-E883 PolarHBondContact O-N 3.07Å; K874-E883 WeakPolarHBondContact CG-OE1 3.38Å; K874-E883 IonicContact NZ-OE1 2.76Å; K874-E883 PolarHBondContact NZ-OE1 3.16Å; K874-E883 IonicContact NZ-OE2 2.77Å; K874-E883 PolarHBondContact NZ-OE2 2.77Å; W876-E883 HydrophobicContact CE3-CB 4.36Å; E883-T886 WeakPolarHBondContact OE1-CB 3.42Å; E883-T886 PolarHBondContact OE1-OG1 2.98Å
884	I	91.8	Very high	92.2	Very high	73 Å²	73	37.2 Å²	37.2	37%	0.374	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-53.5	176.8	-47.7	177	0	0	0	109.4	L863 M875 N877 Q882	L863-I884 HydrophobicContact CD2-CD1 3.46Å; L863-I884 VanDerWaalsContact CD2-CD1 3.46Å; M875-I884 HydrophobicContact CE-CB 3.89Å; M875-I884 HydrophobicContact CE-CD1 4.06Å; M875-I884 HydrophobicContact CE-CG2 3.77Å; M875-I884 HydrophobicContact CG-CD1 4.3Å; M875-I884 PolarHBondContact O-N 2.71Å; N877-I884 HydrophobicContact CB-CD1 3.82Å; N877-I884 HydrophobicContact CB-CG1 3.86Å; Q882-I884 PolarHBondContact O-N 2.68Å
885	A	91.4	Very high	92.3	Very high	22 Å²	22	38.4 Å²	38.4	18%	0.182	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	149.9	-173.1	0	0	0	0	0	112.7	M875 A923	M875-A885 HydrophobicContact CE-CB 4.22Å; M875-A885 PolarHBondContact N-O 2.9Å; M875-A885 PolarHBondContact O-N 3.29Å; A885-A923 HydrophobicContact CB-CB 4.12Å
886	T	93.3	Very high	92.4	Very high	39 Å²	39	38.2 Å²	38.2	24%	0.239	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.9	169.2	-36.3	0	0	0	0	109.9	T872 K874 E883 K888	T872-T886 HydrophobicContact CG2-CG2 3.76Å; K874-T886 HydrophobicContact CG-CG2 4.02Å; E883-T886 WeakPolarHBondContact OE1-CB 3.42Å; E883-T886 PolarHBondContact OE1-OG1 2.98Å; T886-K888 HydrophobicContact CG2-CD 4.3Å; T886-K888 HydrophobicContact CG2-CG 3.79Å; T886-K888 PolarHBondContact O-N 3.21Å
887	L	92.9	Very high	92.6	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	109.5	173.3	-47.1	-180	0	0	0	108.5	T872 C873 H890 W917 A923	T872-L887 WeakPolarHBondContact CA-O 3.37Å; C873-L887 HydrophobicContact CB-CB 4.12Å; C873-L887 HydrophobicContact CB-CD1 4.15Å; C873-L887 HydrophobicContact CB-CG 4.45Å; C873-L887 PolarHBondContact N-O 3.31Å; C873-L887 WeakPolarHBondContact O-CB 3.46Å; C873-L887 PolarHBondContact O-N 3.39Å; L887-H890 PolarHBondContact O-CE1 3.46Å; L887-W917 HydrophobicContact CB-CD2 4.17Å; L887-W917 HydrophobicContact CB-CE3 4.3Å; L887-W917 HydrophobicContact CB-CH2 4.09Å; L887-W917 HydrophobicContact CB-CZ2 3.93Å; L887-W917 HydrophobicContact CB-CZ3 4.26Å; L887-W917 HydrophobicContact CD1-CB 4.37Å; L887-W917 HydrophobicContact CD1-CD2 3.98Å; L887-W917 HydrophobicContact CD1-CG 3.84Å; L887-W917 HydrophobicContact CD2-CD2 4.04Å; L887-W917 HydrophobicContact CD2-CE3 3.82Å; L887-W917 HydrophobicContact CD2-CG 4.41Å; L887-W917 HydrophobicContact CD2-CZ3 4.3Å; L887-W917 HydrophobicContact CG-CD2 4.28Å; L887-W917 HydrophobicContact CG-CE3 4.45Å; L887-A923 HydrophobicContact CD2-CB 3.88Å
888	K	90.9	Very high	92.8	Very high	110 Å²	110	39 Å²	39	48%	0.478	22%	0.222	S	C	.	.			trans	-108.3	-177.3	-171.2	-63.7	-174.9	179.4	-179.5	0	111.8	T872 T886 K915 W917	T872-K888 HydrophobicContact CG2-CG 4.11Å; T886-K888 HydrophobicContact CG2-CD 4.3Å; T886-K888 HydrophobicContact CG2-CG 3.79Å; T886-K888 PolarHBondContact O-N 3.21Å; K888-K915 PolarHBondContact O-NZ 3.32Å; K888-W917 VanDerWaalsContact O-CH2 3.32Å; K888-W917 WeakPolarHBondContact O-CH2 3.44Å
889	G	86.1	Confident	92.9	Very high	37 Å²	37	39.2 Å²	39.2	38%	0.381	22%	0.221	S	C	.	.			trans	73.3	32.9	175.5	0	0	0	0	0	114.9	K915 C941	G889-K915 PolarHBondContact O-NZ 2.83Å; G889-C941 VanDerWaalsContact O-CB 3.29Å; G889-C941 WeakPolarHBondContact O-CB 3.27Å
890	H	91.7	Very high	93	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.028	19%	0.189	C	C	.	.			trans	-86.9	141.2	165.8	-57.1	91.6	0	0	0	109.5	R871 L887 N892 V894 S908 W917	R871-H890 HydrophobicContact CB-CB 4.3Å; R871-H890 WeakPolarHBondContact CD-O 3.41Å; R871-H890 WeakPolarHBondContact O-CB 3.21Å; R871-H890 PolarHBondContact O-ND1 3.17Å; L887-H890 PolarHBondContact O-CE1 3.46Å; H890-N892 VanDerWaalsContact C-N 3.29Å; H890-N892 PolarHBondContact O-N 3.2Å; H890-V894 HydrophobicContact CB-CG2 4.15Å; H890-S908 PolarHBondContact NE2-OG 2.9Å; H890-W917 AromaticContact NE2-CZ2 3.99Å
891	P	89.3	Confident	92.9	Very high	13 Å²	13	34 Å²	34	8%	0.084	19%	0.191	C	C	.	.	S	Bend	trans	-69.9	-25.8	179.8	28.2	-35.1	0	0	0	112.5	R871 T911 Y913 T944	R871-P891 PolarHBondContact NE-O 3.05Å; R871-P891 PolarHBondContact NH1-O 3.35Å; R871-P891 PolarHBondContact NH2-O 2.9Å; P891-T911 HydrophobicContact CG-CG2 4.32Å; P891-T911 WeakPolarHBondContact CG-OG1 3.2Å; P891-Y913 HydrophobicContact CG-CD2 4.07Å; P891-Y913 HydrophobicContact CG-CE2 4.48Å; P891-T944 HydrophobicContact CB-CG2 4.13Å
892	N	91.9	Very high	92.8	Very high	24 Å²	24	37.9 Å²	37.9	13%	0.128	22%	0.217	C	C	.	.	S	Bend	trans	-147.8	-158.3	178.2	-146.2	-45.4	0	0	0	111.7	R871 H890 S910 T911 I949	R871-N892 WeakPolarHBondContact CA-O 3.3Å; R871-N892 WeakPolarHBondContact CB-O 3.31Å; R871-N892 WeakPolarHBondContact CG-O 3.05Å; H890-N892 VanDerWaalsContact C-N 3.29Å; H890-N892 PolarHBondContact O-N 3.2Å; N892-S910 PolarHBondContact N-OG 3.44Å; N892-S910 VanDerWaalsContact N-OG 3.16Å; N892-S910 PolarHBondContact O-OG 3.49Å; N892-T911 HydrophobicContact CB-CG2 3.54Å; N892-I949 WeakPolarHBondContact ND2-CG1 3.39Å
893	N	95.1	Very high	92.6	Very high	49 Å²	49	35.6 Å²	35.6	26%	0.262	21%	0.21	S	C	.	.			trans	-47.9	141.1	174.8	-52.6	-47.2	0	0	0	111.5	L855 K869 V895 S910	L855-N893 HydrophobicContact CD1-CB 3.85Å; K869-N893 VanDerWaalsContact CA-OD1 3.27Å; K869-N893 WeakPolarHBondContact CA-OD1 3.35Å; K869-N893 VanDerWaalsContact CB-OD1 3.31Å; K869-N893 WeakPolarHBondContact CB-OD1 3.15Å; K869-N893 HydrophobicContact CG-CB 4.37Å; K869-N893 WeakPolarHBondContact CG-OD1 3.2Å; N893-V895 HydrophobicContact CB-CG1 4.16Å; N893-V895 PolarHBondContact O-N 3.17Å; N893-S910 WeakPolarHBondContact O-CB 3.3Å; N893-S910 PolarHBondContact O-OG 3.19Å
894	V	97.1	Very high	92.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.211	C	C	.	.			trans	-87.4	104.8	167.4	-176.3	0	0	0	0	108.1	C856 S868 C873 H890 V897 V909	C856-V894 PolarHBondContact SG-O 3.33Å; S868-V894 PolarHBondContact O-N 3Å; C873-V894 HydrophobicContact CB-CG1 4.44Å; H890-V894 HydrophobicContact CB-CG2 4.15Å; V894-V897 HydrophobicContact CG1-CG1 3.64Å; V894-V909 CarbonylContact C-O 3.52Å; V894-V909 VanDerWaalsContact CA-O 3.31Å; V894-V909 WeakPolarHBondContact CA-O 3.4Å
895	V	96.9	Very high	92.5	Very high	39 Å²	39	32.9 Å²	32.9	24%	0.236	20%	0.197	C	C	.	.			trans	-90.9	-27.8	-169.1	-63.3	0	0	0	0	113.4	L855 C856 N893 V909 I958	L855-V895 HydrophobicContact CD1-CG1 4.09Å; C856-V895 WeakPolarHBondContact CB-O 3.48Å; C856-V895 PolarHBondContact SG-O 3.36Å; N893-V895 HydrophobicContact CB-CG1 4.16Å; N893-V895 PolarHBondContact O-N 3.17Å; V895-V909 HydrophobicContact CG2-CB 4.02Å; V895-V909 HydrophobicContact CG2-CG1 3.73Å; V895-V909 PolarHBondContact N-O 3.47Å; V895-I958 WeakPolarHBondContact CG2-O 3.36Å
896	S	98	Very high	92.7	Very high	6 Å²	6	32 Å²	32	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	145.8	177	-162	0	0	0	0	110.8	C856 V909 Q960 I961	C856-S896 VanDerWaalsContact SG-C 3.58Å; C856-S896 WeakPolarHBondContact SG-CA 3.44Å; C856-S896 PolarHBondContact SG-N 3.32Å; S896-V909 PolarHBondContact O-N 3.32Å; S896-Q960 WeakPolarHBondContact OG-CG 3.38Å; S896-I961 PolarHBondContact OG-N 2.81Å
897	V	98	Very high	92.9	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	141.2	175.1	-65.4	0	0	0	0	109.5	C856 D858 F865 C873 V894 F907	C856-V897 HydrophobicContact CB-CG2 4.29Å; D858-V897 HydrophobicContact CB-CG2 4.14Å; F865-V897 HydrophobicContact CB-CG2 4.27Å; C873-V897 HydrophobicContact CB-CG1 4.2Å; V894-V897 HydrophobicContact CG1-CG1 3.64Å; V897-F907 VanDerWaalsContact CA-O 3.3Å; V897-F907 WeakPolarHBondContact CA-O 3.42Å
898	K	97.3	Very high	93.1	Very high	54 Å²	54	30.1 Å²	30.1	24%	0.235	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	145.9	172.9	-75.5	-70	137.6	-171.8	0	110.7	D858 F907 I961 I963	D858-K898 IonicContact OD1-NZ 2.63Å; D858-K898 PolarHBondContact OD1-NZ 3.06Å; D858-K898 WeakPolarHBondContact OD2-CA 3.44Å; K898-F907 PolarHBondContact N-O 3.2Å; K898-F907 PolarHBondContact O-N 3.26Å; K898-I961 HydrophobicContact CB-CD1 3.88Å; K898-I961 HydrophobicContact CB-CG1 4.35Å; K898-I961 HydrophobicContact CG-CD1 4.02Å; K898-I961 HydrophobicContact CG-CG1 3.91Å; K898-I963 HydrophobicContact CB-CD1 3.78Å; K898-I963 HydrophobicContact CB-CG1 4.06Å; K898-I963 HydrophobicContact CG-CG1 4.42Å
899	Y	95.4	Very high	93.4	Very high	42 Å²	42	24.9 Å²	24.9	17%	0.165	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.5	171.9	176.8	-113.9	0	0	0	111.4	D858 T860 F865 P901 L905 A906 I919	D858-Y899 PolarHBondContact OD2-N 2.94Å; T860-Y899 HydrophobicContact CG2-CD1 3.62Å; T860-Y899 HydrophobicContact CG2-CE1 4Å; F865-Y899 HydrophobicContact CD2-CG 4.44Å; F865-Y899 HydrophobicContact CE1-CD2 4.46Å; F865-Y899 VanDerWaalsContact CE2-CB 3.47Å; F865-Y899 AromaticContact CE2-CD1 3.95Å; F865-Y899 HydrophobicContact CE2-CD1 3.95Å; F865-Y899 HydrophobicContact CE2-CD2 4.06Å; F865-Y899 AromaticContact CE2-CG 3.54Å; F865-Y899 HydrophobicContact CE2-CG 3.54Å; F865-Y899 HydrophobicContact CZ-CD1 4.29Å; F865-Y899 AromaticContact CZ-CD2 3.68Å; F865-Y899 HydrophobicContact CZ-CD2 3.68Å; F865-Y899 HydrophobicContact CZ-CE2 4.31Å; F865-Y899 AromaticContact CZ-CG 3.68Å; F865-Y899 HydrophobicContact CZ-CG 3.68Å; Y899-P901 HydrophobicContact CD1-CG 3.93Å; Y899-P901 HydrophobicContact CE1-CB 4Å; Y899-P901 HydrophobicContact CE1-CG 3.82Å; Y899-L905 VanDerWaalsContact CD2-O 3.23Å; Y899-L905 WeakPolarHBondContact CD2-O 3.43Å; Y899-A906 HydrophobicContact CD2-CB 4.14Å; Y899-I919 HydrophobicContact CD2-CD1 4.04Å; Y899-I919 HydrophobicContact CE2-CD1 3.41Å; Y899-I919 VanDerWaalsContact CE2-CD1 3.41Å; Y899-I919 HydrophobicContact CE2-CG1 3.94Å
900	C	93.3	Very high	93.8	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.02	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	99.9	178.1	-177.1	0	0	0	0	110	S902 S903 G904 L905 F907 I963	C900-S902 VanDerWaalsContact C-N 3.3Å; C900-S902 PolarHBondContact O-N 3.04Å; C900-S902 PolarHBondContact SG-OG 3.41Å; C900-S903 WeakPolarHBondContact CB-OG 3.46Å; C900-S903 PolarHBondContact O-N 2.95Å; C900-S903 PolarHBondContact O-OG 3.47Å; C900-S903 PolarHBondContact SG-OG 2.98Å; C900-G904 PolarHBondContact O-N 3.2Å; C900-L905 PolarHBondContact N-O 3.2Å; C900-L905 PolarHBondContact O-N 2.86Å; C900-F907 HydrophobicContact CB-CE2 4Å; C900-I963 HydrophobicContact CB-CD1 3.96Å
901	P	87.6	Confident	93.8	Very high	92 Å²	92	23.9 Å²	23.9	60%	0.597	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.9	-174.8	-24.1	34.1	0	0	0	115	T860 Y899	T860-P901 HydrophobicContact CG2-CG 4.36Å; Y899-P901 HydrophobicContact CD1-CG 3.93Å; Y899-P901 HydrophobicContact CE1-CB 4Å; Y899-P901 HydrophobicContact CE1-CG 3.82Å
902	S	86.9	Confident	94	Very high	93 Å²	93	23.3 Å²	23.3	65%	0.65	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-33.6	-179	49.9	0	0	0	0	113.1	C900	C900-S902 VanDerWaalsContact C-N 3.3Å; C900-S902 PolarHBondContact O-N 3.04Å; C900-S902 PolarHBondContact SG-OG 3.41Å
903	S	87.2	Confident	94.1	Very high	35 Å²	35	25.2 Å²	25.2	25%	0.245	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-22.7	177.8	60.5	0	0	0	0	113.6	C900 L905 R920	C900-S903 WeakPolarHBondContact CB-OG 3.46Å; C900-S903 PolarHBondContact O-N 2.95Å; C900-S903 PolarHBondContact O-OG 3.47Å; C900-S903 PolarHBondContact SG-OG 2.98Å; S903-L905 VanDerWaalsContact C-N 3.3Å; S903-L905 WeakPolarHBondContact OG-CB 3.49Å; S903-L905 PolarHBondContact OG-N 3.42Å; S903-R920 PolarHBondContact O-NH1 3.07Å; S903-R920 VanDerWaalsContact O-NH1 3.11Å
904	G	89.3	Confident	94.2	Very high	6 Å²	6	22.9 Å²	22.9	6%	0.062	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	18.9	-170.7	0	0	0	0	0	113.3	C900 I919	C900-G904 PolarHBondContact O-N 3.2Å; G904-I919 WeakPolarHBondContact O-CG1 3.46Å
905	L	92.9	Very high	94.1	Very high	15 Å²	15	23 Å²	23	8%	0.079	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.9	-178.1	-60.4	-179.9	0	0	0	112.1	Y899 C900 S903 F907 V916 W917 D918 I926	Y899-L905 VanDerWaalsContact CD2-O 3.23Å; Y899-L905 WeakPolarHBondContact CD2-O 3.43Å; C900-L905 PolarHBondContact N-O 3.2Å; C900-L905 PolarHBondContact O-N 2.86Å; S903-L905 VanDerWaalsContact C-N 3.3Å; S903-L905 WeakPolarHBondContact OG-CB 3.49Å; S903-L905 PolarHBondContact OG-N 3.42Å; L905-F907 HydrophobicContact CB-CE2 3.81Å; L905-F907 HydrophobicContact CB-CZ 3.96Å; L905-F907 HydrophobicContact CD1-CZ 4.24Å; L905-V916 HydrophobicContact CB-CG1 4.49Å; L905-V916 HydrophobicContact CD1-CG1 4.13Å; L905-W917 WeakPolarHBondContact CA-O 3.42Å; L905-D918 HydrophobicContact CD2-CB 4.26Å; L905-I926 HydrophobicContact CD2-CD1 3.68Å
906	A	95.4	Very high	94	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.033	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	145.3	166.4	0	0	0	0	0	110.6	F865 Y899 W917 I919	F865-A906 HydrophobicContact CD1-CB 4.44Å; F865-A906 HydrophobicContact CE1-CB 4Å; Y899-A906 HydrophobicContact CD2-CB 4.14Å; A906-W917 HydrophobicContact CB-CB 4.33Å; A906-W917 PolarHBondContact N-O 2.8Å; A906-W917 PolarHBondContact O-N 3.22Å; A906-I919 HydrophobicContact CB-CG2 4.02Å
907	F	97.1	Very high	93.9	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.5	-178.6	-59.6	-95.3	0	0	0	108.7	V897 K898 C900 L905 I914 K915 V916 I961 I963 L970 L983	V897-F907 VanDerWaalsContact CA-O 3.3Å; V897-F907 WeakPolarHBondContact CA-O 3.42Å; K898-F907 PolarHBondContact N-O 3.2Å; K898-F907 PolarHBondContact O-N 3.26Å; C900-F907 HydrophobicContact CB-CE2 4Å; L905-F907 HydrophobicContact CB-CE2 3.81Å; L905-F907 HydrophobicContact CB-CZ 3.96Å; L905-F907 HydrophobicContact CD1-CZ 4.24Å; F907-I914 HydrophobicContact CB-CG2 4.13Å; F907-I914 HydrophobicContact CD1-CG2 4.28Å; F907-K915 WeakPolarHBondContact CA-O 3.32Å; F907-V916 HydrophobicContact CD1-CB 4.47Å; F907-V916 HydrophobicContact CD1-CG1 4.15Å; F907-V916 HydrophobicContact CD1-CG2 3.92Å; F907-V916 HydrophobicContact CE1-CB 4.41Å; F907-V916 HydrophobicContact CE1-CG1 3.72Å; F907-V916 HydrophobicContact CE1-CG2 3.95Å; F907-V916 HydrophobicContact CZ-CG1 4.21Å; F907-I961 HydrophobicContact CB-CD1 3.57Å; F907-I963 HydrophobicContact CD2-CD1 3.75Å; F907-I963 HydrophobicContact CE2-CD1 3.88Å; F907-L970 HydrophobicContact CD1-CD2 3.87Å; F907-L970 HydrophobicContact CE1-CD2 4.05Å; F907-L983 HydrophobicContact CE1-CD2 3.6Å; F907-L983 HydrophobicContact CE2-CD1 4.3Å; F907-L983 HydrophobicContact CZ-CD1 3.88Å; F907-L983 HydrophobicContact CZ-CD2 3.54Å; F907-L983 HydrophobicContact CZ-CG 4.34Å
908	S	97.1	Very high	93.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.6	177	59.7	0	0	0	0	112.2	H890 I914 K915 W917	H890-S908 PolarHBondContact NE2-OG 2.9Å; S908-I914 WeakPolarHBondContact O-CA 3.28Å; S908-K915 PolarHBondContact N-O 3.4Å; S908-K915 PolarHBondContact O-N 3.24Å; S908-W917 PolarHBondContact OG-NE1 2.91Å
909	V	97.4	Very high	93.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.5	-171.1	-175.1	0	0	0	0	111.1	V894 V895 S896 Y913 I914 I958 I961	V894-V909 CarbonylContact C-O 3.52Å; V894-V909 VanDerWaalsContact CA-O 3.31Å; V894-V909 WeakPolarHBondContact CA-O 3.4Å; V895-V909 HydrophobicContact CG2-CB 4.02Å; V895-V909 HydrophobicContact CG2-CG1 3.73Å; V895-V909 PolarHBondContact N-O 3.47Å; S896-V909 PolarHBondContact O-N 3.32Å; V909-Y913 WeakPolarHBondContact CA-O 3.49Å; V909-I914 HydrophobicContact CG2-CG1 4.35Å; V909-I914 HydrophobicContact CG2-CG2 4.28Å; V909-I958 HydrophobicContact CG1-CB 3.59Å; V909-I958 HydrophobicContact CG1-CG2 3.58Å; V909-I958 WeakPolarHBondContact CG1-O 3.31Å; V909-I961 HydrophobicContact CG2-CB 4.2Å; V909-I961 HydrophobicContact CG2-CD1 3.7Å; V909-I961 HydrophobicContact CG2-CG1 3.64Å; V909-I961 HydrophobicContact CG2-CG2 3.6Å
910	S	94.1	Very high	92.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	133.5	172.1	-165.9	0	0	0	0	111.1	N892 N893 S912 Y913	N892-S910 PolarHBondContact N-OG 3.44Å; N892-S910 VanDerWaalsContact N-OG 3.16Å; N892-S910 PolarHBondContact O-OG 3.49Å; N893-S910 WeakPolarHBondContact O-CB 3.3Å; N893-S910 PolarHBondContact O-OG 3.19Å; S910-S912 PolarHBondContact O-N 3.05Å; S910-S912 VanDerWaalsContact O-N 3.14Å; S910-Y913 PolarHBondContact N-O 3.43Å; S910-Y913 PolarHBondContact O-N 2.92Å
911	T	92.2	Very high	91.5	Very high	20 Å²	20	34 Å²	34	12%	0.123	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-111	-170.5	62.2	0	0	0	0	112	P891 N892 Y913 I949 Q957 I958	P891-T911 HydrophobicContact CG-CG2 4.32Å; P891-T911 WeakPolarHBondContact CG-OG1 3.2Å; N892-T911 HydrophobicContact CB-CG2 3.54Å; T911-Y913 WeakPolarHBondContact OG1-CD2 3.4Å; T911-I949 HydrophobicContact CG2-CG2 4.42Å; T911-Q957 WeakPolarHBondContact O-CA 3.37Å; T911-I958 PolarHBondContact O-N 3.08Å
912	S	93.3	Very high	90.6	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	8.4	178.5	69.6	0	0	0	0	113.2	S910 T930 S931 E955 C956 I958	S910-S912 PolarHBondContact O-N 3.05Å; S910-S912 VanDerWaalsContact O-N 3.14Å; S912-T930 CarbonylContact O-C 3.6Å; S912-S931 PolarHBondContact O-N 3.38Å; S912-E955 WeakPolarHBondContact CB-OE2 3.17Å; S912-E955 PolarHBondContact OG-OE2 2.88Å; S912-C956 WeakPolarHBondContact CA-O 3.24Å; S912-C956 WeakPolarHBondContact CB-O 3.43Å; S912-I958 VanDerWaalsContact O-CD1 3.28Å; S912-I958 WeakPolarHBondContact O-CD1 3.38Å
913	Y	94.2	Very high	90.3	Very high	63 Å²	63	29.2 Å²	29.2	25%	0.247	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.1	-172	-57.4	-72.4	0	0	0	113.1	P891 V909 S910 T911 T928 L929 T930	P891-Y913 HydrophobicContact CG-CD2 4.07Å; P891-Y913 HydrophobicContact CG-CE2 4.48Å; V909-Y913 WeakPolarHBondContact CA-O 3.49Å; S910-Y913 PolarHBondContact N-O 3.43Å; S910-Y913 PolarHBondContact O-N 2.92Å; T911-Y913 WeakPolarHBondContact OG1-CD2 3.4Å; Y913-T928 HydrophobicContact CD1-CG2 3.71Å; Y913-T928 HydrophobicContact CG-CG2 4.1Å; Y913-L929 CarbonylContact C-O 3.54Å; Y913-L929 WeakPolarHBondContact CA-O 3.46Å; Y913-T930 HydrophobicContact CD1-CG2 4.15Å; Y913-T930 HydrophobicContact CE1-CG2 4.07Å
914	I	97.2	Very high	90.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.5	165.9	-41.8	174.5	0	0	0	107.7	F907 S908 V909 T928 L929 I958 I961 L970 A972	F907-I914 HydrophobicContact CB-CG2 4.13Å; F907-I914 HydrophobicContact CD1-CG2 4.28Å; S908-I914 WeakPolarHBondContact O-CA 3.28Å; V909-I914 HydrophobicContact CG2-CG1 4.35Å; V909-I914 HydrophobicContact CG2-CG2 4.28Å; I914-T928 CarbonylContact O-C 3.58Å; I914-T928 WeakPolarHBondContact O-CA 3.45Å; I914-L929 HydrophobicContact CB-CB 4.13Å; I914-L929 HydrophobicContact CB-CD1 4.45Å; I914-L929 HydrophobicContact CB-CG 4.47Å; I914-L929 HydrophobicContact CD1-CB 4.48Å; I914-L929 HydrophobicContact CD1-CD1 4.41Å; I914-L929 HydrophobicContact CG1-CB 4.49Å; I914-L929 PolarHBondContact N-O 3.2Å; I914-L929 PolarHBondContact O-N 3.02Å; I914-I958 HydrophobicContact CD1-CD1 4.06Å; I914-I958 HydrophobicContact CG1-CD1 3.62Å; I914-I961 HydrophobicContact CD1-CG2 3.92Å; I914-L970 HydrophobicContact CD1-CD2 4.09Å; I914-A972 HydrophobicContact CD1-CB 3.73Å
915	K	95.5	Very high	90.4	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132	174.5	-62.9	-174	72.3	176.8	0	109.4	K888 G889 F907 S908 W917 C925 T928 D939 C941	K888-K915 PolarHBondContact O-NZ 3.32Å; G889-K915 PolarHBondContact O-NZ 2.83Å; F907-K915 WeakPolarHBondContact CA-O 3.32Å; S908-K915 PolarHBondContact N-O 3.4Å; S908-K915 PolarHBondContact O-N 3.24Å; K915-W917 HydrophobicContact CB-CZ2 3.88Å; K915-W917 HydrophobicContact CD-CZ2 3.96Å; K915-W917 VanDerWaalsContact O-CD1 3.29Å; K915-W917 PolarHBondContact O-NE1 3Å; K915-C925 VanDerWaalsContact CE-SG 3.52Å; K915-T928 HydrophobicContact CG-CG2 4.42Å; K915-D939 VanDerWaalsContact CE-CG 3.48Å; K915-D939 WeakPolarHBondContact CE-OD1 3.27Å; K915-D939 IonicContact NZ-OD1 3.37Å; K915-D939 PolarHBondContact NZ-OD1 3.17Å; K915-D939 IonicContact NZ-OD2 2.69Å; K915-D939 PolarHBondContact NZ-OD2 2.89Å; K915-C941 HydrophobicContact CD-CB 4.46Å
916	V	95.7	Very high	90.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.5	-174.8	-171.6	0	0	0	0	108.9	L905 F907 C925 I926 R927 L929 M986	L905-V916 HydrophobicContact CB-CG1 4.49Å; L905-V916 HydrophobicContact CD1-CG1 4.13Å; F907-V916 HydrophobicContact CD1-CB 4.47Å; F907-V916 HydrophobicContact CD1-CG1 4.15Å; F907-V916 HydrophobicContact CD1-CG2 3.92Å; F907-V916 HydrophobicContact CE1-CB 4.41Å; F907-V916 HydrophobicContact CE1-CG1 3.72Å; F907-V916 HydrophobicContact CE1-CG2 3.95Å; F907-V916 HydrophobicContact CZ-CG1 4.21Å; V916-C925 CarbonylContact O-C 3.58Å; V916-C925 WeakPolarHBondContact O-CA 3.4Å; V916-I926 HydrophobicContact CB-CG1 4.27Å; V916-I926 HydrophobicContact CG1-CD1 4.2Å; V916-I926 HydrophobicContact CG1-CG1 4.06Å; V916-I926 WeakPolarHBondContact O-CG1 3.35Å; V916-I926 PolarHBondContact O-N 3.35Å; V916-R927 HydrophobicContact CB-CB 4.09Å; V916-R927 WeakPolarHBondContact CB-O 3.36Å; V916-R927 HydrophobicContact CG2-CB 4.07Å; V916-R927 PolarHBondContact N-O 3.28Å; V916-L929 HydrophobicContact CG2-CD1 4.12Å; V916-L929 HydrophobicContact CG2-CD2 4.45Å; V916-L929 HydrophobicContact CG2-CG 3.97Å; V916-M986 HydrophobicContact CB-CE 4.37Å; V916-M986 HydrophobicContact CG1-CE 3.97Å; V916-M986 HydrophobicContact CG2-CE 3.83Å
917	W	94.8	Very high	90.3	Very high	12 Å²	12	40.7 Å²	40.7	5%	0.045	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125	-168.4	-53.7	87	0	0	0	111.4	L887 K888 H890 L905 A906 S908 K915 I919 K924 C925	L887-W917 HydrophobicContact CB-CD2 4.17Å; L887-W917 HydrophobicContact CB-CE3 4.3Å; L887-W917 HydrophobicContact CB-CH2 4.09Å; L887-W917 HydrophobicContact CB-CZ2 3.93Å; L887-W917 HydrophobicContact CB-CZ3 4.26Å; L887-W917 HydrophobicContact CD1-CB 4.37Å; L887-W917 HydrophobicContact CD1-CD2 3.98Å; L887-W917 HydrophobicContact CD1-CG 3.84Å; L887-W917 HydrophobicContact CD2-CD2 4.04Å; L887-W917 HydrophobicContact CD2-CE3 3.82Å; L887-W917 HydrophobicContact CD2-CG 4.41Å; L887-W917 HydrophobicContact CD2-CZ3 4.3Å; L887-W917 HydrophobicContact CG-CD2 4.28Å; L887-W917 HydrophobicContact CG-CE3 4.45Å; K888-W917 VanDerWaalsContact O-CH2 3.32Å; K888-W917 WeakPolarHBondContact O-CH2 3.44Å; H890-W917 AromaticContact NE2-CZ2 3.99Å; L905-W917 WeakPolarHBondContact CA-O 3.42Å; A906-W917 HydrophobicContact CB-CB 4.33Å; A906-W917 PolarHBondContact N-O 2.8Å; A906-W917 PolarHBondContact O-N 3.22Å; S908-W917 PolarHBondContact OG-NE1 2.91Å; K915-W917 HydrophobicContact CB-CZ2 3.88Å; K915-W917 HydrophobicContact CD-CZ2 3.96Å; K915-W917 VanDerWaalsContact O-CD1 3.29Å; K915-W917 PolarHBondContact O-NE1 3Å; W917-I919 HydrophobicContact CB-CG2 4.29Å; W917-I919 PolarHBondContact O-N 3.25Å; W917-K924 VanDerWaalsContact CA-O 3.32Å; W917-K924 WeakPolarHBondContact CA-O 3.37Å; W917-C925 HydrophobicContact CD2-CB 4.33Å; W917-C925 HydrophobicContact CE3-CB 3.92Å; W917-C925 VanDerWaalsContact CE3-N 3.34Å; W917-C925 HydrophobicContact CH2-CB 4.01Å; W917-C925 HydrophobicContact CZ2-CB 4.42Å; W917-C925 HydrophobicContact CZ3-CB 3.75Å
918	D	91.5	Very high	90.1	Very high	30 Å²	30	40.6 Å²	40.6	16%	0.16	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	109.5	165.3	-167.9	-24.6	0	0	0	109	L905 R920 A923 K924 I926	L905-D918 HydrophobicContact CD2-CB 4.26Å; D918-R920 VanDerWaalsContact OD1-CB 3.3Å; D918-R920 WeakPolarHBondContact OD1-CB 3.39Å; D918-R920 WeakPolarHBondContact OD1-CG 3.4Å; D918-R920 IonicContact OD1-CZ 2.65Å; D918-R920 PolarHBondContact OD1-N 3.31Å; D918-R920 IonicContact OD1-NE 3.24Å; D918-R920 PolarHBondContact OD1-NE 3.1Å; D918-R920 IonicContact OD1-NH2 3.31Å; D918-R920 IonicContact OD2-CZ 2.73Å; D918-R920 IonicContact OD2-NE 2.9Å; D918-R920 PolarHBondContact OD2-NE 3.4Å; D918-R920 IonicContact OD2-NH2 3.51Å; D918-R920 PolarHBondContact OD2-NH2 3.08Å; D918-A923 WeakPolarHBondContact O-CA 3.41Å; D918-A923 PolarHBondContact O-N 3.09Å; D918-A923 VanDerWaalsContact O-N 3.08Å; D918-K924 PolarHBondContact N-O 3.12Å; D918-K924 PolarHBondContact O-N 3.14Å; D918-I926 HydrophobicContact CB-CG2 3.94Å
919	I	88.5	Confident	90	Very high	22 Å²	22	40.6 Å²	40.6	11%	0.113	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-0.4	-177	66.6	157.4	0	0	0	113.4	L863 F865 M875 Y899 G904 A906 W917	L863-I919 HydrophobicContact CD1-CD1 3.88Å; F865-I919 HydrophobicContact CE1-CD1 4.25Å; F865-I919 HydrophobicContact CZ-CD1 3.89Å; M875-I919 HydrophobicContact CE-CB 4.35Å; M875-I919 HydrophobicContact SD-CB 4.07Å; M875-I919 HydrophobicContact SD-CD1 3.59Å; M875-I919 VanDerWaalsContact SD-CD1 3.59Å; M875-I919 HydrophobicContact SD-CG1 4.46Å; M875-I919 HydrophobicContact SD-CG2 4.09Å; Y899-I919 HydrophobicContact CD2-CD1 4.04Å; Y899-I919 HydrophobicContact CE2-CD1 3.41Å; Y899-I919 VanDerWaalsContact CE2-CD1 3.41Å; Y899-I919 HydrophobicContact CE2-CG1 3.94Å; G904-I919 WeakPolarHBondContact O-CG1 3.46Å; A906-I919 HydrophobicContact CB-CG2 4.02Å; W917-I919 HydrophobicContact CB-CG2 4.29Å; W917-I919 PolarHBondContact O-N 3.25Å
920	R	84.6	Confident	89.9	Confident	161 Å²	161	40.9 Å²	40.9	61%	0.608	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-47.6	-173.9	-61.9	172.9	-69.8	-167.7	6.6	112	S903 D918	S903-R920 PolarHBondContact O-NH1 3.07Å; S903-R920 VanDerWaalsContact O-NH1 3.11Å; D918-R920 VanDerWaalsContact OD1-CB 3.3Å; D918-R920 WeakPolarHBondContact OD1-CB 3.39Å; D918-R920 WeakPolarHBondContact OD1-CG 3.4Å; D918-R920 IonicContact OD1-CZ 2.65Å; D918-R920 PolarHBondContact OD1-N 3.31Å; D918-R920 IonicContact OD1-NE 3.24Å; D918-R920 PolarHBondContact OD1-NE 3.1Å; D918-R920 IonicContact OD1-NH2 3.31Å; D918-R920 IonicContact OD2-CZ 2.73Å; D918-R920 IonicContact OD2-NE 2.9Å; D918-R920 PolarHBondContact OD2-NE 3.4Å; D918-R920 IonicContact OD2-NH2 3.51Å; D918-R920 PolarHBondContact OD2-NH2 3.08Å
921	D	70.1	Confident	89.9	Confident	153 Å²	153	41 Å²	41	82%	0.818	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-43.5	-176.8	-75.2	-25.8	0	0	0	114.7
922	S	67.1	Low	89.8	Confident	60 Å²	60	42.1 Å²	42.1	42%	0.42	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-153.4	13.7	-163.3	50	0	0	0	0	117.2	K924	S922-K924 VanDerWaalsContact C-N 3.26Å; S922-K924 PolarHBondContact O-N 3.44Å; S922-K924 WeakPolarHBondContact OG-CD 3.41Å; S922-K924 VanDerWaalsContact OG-CE 3.23Å; S922-K924 WeakPolarHBondContact OG-CE 3.39Å; S922-K924 PolarHBondContact OG-NZ 3.28Å
923	A	80.9	Confident	89.7	Confident	26 Å²	26	43 Å²	43	22%	0.215	22%	0.216	C	C	.	.			trans	51.3	42	175	0	0	0	0	0	113.6	A885 L887 D918	A885-A923 HydrophobicContact CB-CB 4.12Å; L887-A923 HydrophobicContact CD2-CB 3.88Å; D918-A923 WeakPolarHBondContact O-CA 3.41Å; D918-A923 PolarHBondContact O-N 3.09Å; D918-A923 VanDerWaalsContact O-N 3.08Å
924	K	87	Confident	89.5	Confident	131 Å²	131	46 Å²	46	57%	0.57	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	142	-175.6	-71.6	175.7	-176.3	139.2	0	111.4	W917 D918 S922 I926	W917-K924 VanDerWaalsContact CA-O 3.32Å; W917-K924 WeakPolarHBondContact CA-O 3.37Å; D918-K924 PolarHBondContact N-O 3.12Å; D918-K924 PolarHBondContact O-N 3.14Å; S922-K924 VanDerWaalsContact C-N 3.26Å; S922-K924 PolarHBondContact O-N 3.44Å; S922-K924 WeakPolarHBondContact OG-CD 3.41Å; S922-K924 VanDerWaalsContact OG-CE 3.23Å; S922-K924 WeakPolarHBondContact OG-CE 3.39Å; S922-K924 PolarHBondContact OG-NZ 3.28Å; K924-I926 PolarHBondContact O-N 3.33Å
925	C	91.6	Very high	89.3	Confident	18 Å²	18	48.5 Å²	48.5	12%	0.122	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	114.7	168.5	-166.3	0	0	0	0	108.9	K915 V916 W917 R927 G938 D939	K915-C925 VanDerWaalsContact CE-SG 3.52Å; V916-C925 CarbonylContact O-C 3.58Å; V916-C925 WeakPolarHBondContact O-CA 3.4Å; W917-C925 HydrophobicContact CD2-CB 4.33Å; W917-C925 HydrophobicContact CE3-CB 3.92Å; W917-C925 VanDerWaalsContact CE3-N 3.34Å; W917-C925 HydrophobicContact CH2-CB 4.01Å; W917-C925 HydrophobicContact CZ2-CB 4.42Å; W917-C925 HydrophobicContact CZ3-CB 3.75Å; C925-R927 PolarHBondContact SG-O 3.26Å; C925-R927 VanDerWaalsContact SG-O 3.4Å; C925-G938 PolarHBondContact SG-O 2.91Å; C925-D939 HydrophobicContact CB-CB 3.98Å
926	I	92.9	Very high	89.1	Confident	62 Å²	62	51 Å²	51	32%	0.318	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-26	-178	58.2	165.3	0	0	0	112.7	L905 V916 D918 K924 G938	L905-I926 HydrophobicContact CD2-CD1 3.68Å; V916-I926 HydrophobicContact CB-CG1 4.27Å; V916-I926 HydrophobicContact CG1-CD1 4.2Å; V916-I926 HydrophobicContact CG1-CG1 4.06Å; V916-I926 WeakPolarHBondContact O-CG1 3.35Å; V916-I926 PolarHBondContact O-N 3.35Å; D918-I926 HydrophobicContact CB-CG2 3.94Å; K924-I926 PolarHBondContact O-N 3.33Å; I926-G938 PolarHBondContact O-N 2.94Å
927	R	93	Very high	88.9	Confident	90 Å²	90	55.9 Å²	55.9	34%	0.34	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	150.7	176.4	-68.8	-63.1	-157.8	-109.1	7.2	109.9	V916 C925 L929 V935 V936 G938 M986	V916-R927 HydrophobicContact CB-CB 4.09Å; V916-R927 WeakPolarHBondContact CB-O 3.36Å; V916-R927 HydrophobicContact CG2-CB 4.07Å; V916-R927 PolarHBondContact N-O 3.28Å; C925-R927 PolarHBondContact SG-O 3.26Å; C925-R927 VanDerWaalsContact SG-O 3.4Å; R927-L929 HydrophobicContact CB-CD2 4.42Å; R927-V935 HydrophobicContact CG-CG1 4.42Å; R927-V936 CarbonylContact C-O 3.55Å; R927-V936 VanDerWaalsContact CA-O 3.31Å; R927-V936 WeakPolarHBondContact CA-O 3.46Å; R927-V936 WeakPolarHBondContact CD-O 3.42Å; R927-G938 CarbonylContact C-O 3.56Å; R927-G938 VanDerWaalsContact C-O 3.28Å; R927-G938 PolarHBondContact N-O 3.37Å; R927-M986 HydrophobicContact CB-CE 4.42Å; R927-M986 HydrophobicContact CG-CE 4.34Å
928	T	94.3	Very high	88.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.8	157.2	-57	0	0	0	0	108.7	Y913 I914 K915 V936 G938 A940	Y913-T928 HydrophobicContact CD1-CG2 3.71Å; Y913-T928 HydrophobicContact CG-CG2 4.1Å; I914-T928 CarbonylContact O-C 3.58Å; I914-T928 WeakPolarHBondContact O-CA 3.45Å; K915-T928 HydrophobicContact CG-CG2 4.42Å; T928-V936 PolarHBondContact N-O 3.03Å; T928-V936 PolarHBondContact O-N 3.3Å; T928-G938 PolarHBondContact N-O 3.43Å; T928-A940 HydrophobicContact CG2-CB 4.03Å; T928-A940 PolarHBondContact OG1-N 3.27Å
929	L	95.3	Very high	88.1	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.2	172.7	-42.4	177.6	0	0	0	108.9	Y913 I914 V916 R927 V935 L970 W981 M986	Y913-L929 CarbonylContact C-O 3.54Å; Y913-L929 WeakPolarHBondContact CA-O 3.46Å; I914-L929 HydrophobicContact CB-CB 4.13Å; I914-L929 HydrophobicContact CB-CD1 4.45Å; I914-L929 HydrophobicContact CB-CG 4.47Å; I914-L929 HydrophobicContact CD1-CB 4.48Å; I914-L929 HydrophobicContact CD1-CD1 4.41Å; I914-L929 HydrophobicContact CG1-CB 4.49Å; I914-L929 PolarHBondContact N-O 3.2Å; I914-L929 PolarHBondContact O-N 3.02Å; V916-L929 HydrophobicContact CG2-CD1 4.12Å; V916-L929 HydrophobicContact CG2-CD2 4.45Å; V916-L929 HydrophobicContact CG2-CG 3.97Å; R927-L929 HydrophobicContact CB-CD2 4.42Å; L929-V935 HydrophobicContact CD2-CB 4.46Å; L929-V935 HydrophobicContact CD2-CG1 4.05Å; L929-V935 HydrophobicContact CD2-CG2 3.96Å; L929-L970 HydrophobicContact CD1-CD2 3.98Å; L929-W981 HydrophobicContact CB-CH2 3.81Å; L929-W981 HydrophobicContact CB-CZ2 3.8Å; L929-W981 HydrophobicContact CB-CZ3 4.3Å; L929-W981 HydrophobicContact CD1-CD2 3.99Å; L929-W981 HydrophobicContact CD1-CE3 4.05Å; L929-W981 HydrophobicContact CD1-CG 4.44Å; L929-W981 HydrophobicContact CD1-CZ3 4.38Å; L929-W981 HydrophobicContact CD2-CE3 4.3Å; L929-W981 HydrophobicContact CD2-CH2 4.26Å; L929-W981 HydrophobicContact CD2-CZ3 3.95Å; L929-W981 HydrophobicContact CG-CH2 4.43Å; L929-W981 HydrophobicContact CG-CZ3 4.43Å; L929-M986 HydrophobicContact CD1-CE 4.32Å; L929-M986 HydrophobicContact CD2-CE 4.05Å
930	T	93.8	Very high	87.7	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	165.5	179.2	76.2	0	0	0	0	112.6	S912 Y913 S932 G933 Q934 E955 W981	S912-T930 CarbonylContact O-C 3.6Å; Y913-T930 HydrophobicContact CD1-CG2 4.15Å; Y913-T930 HydrophobicContact CE1-CG2 4.07Å; T930-S932 VanDerWaalsContact C-N 3.29Å; T930-S932 PolarHBondContact O-N 3.19Å; T930-S932 PolarHBondContact OG1-N 3.28Å; T930-S932 PolarHBondContact OG1-OG 3.43Å; T930-G933 PolarHBondContact O-N 2.94Å; T930-G933 PolarHBondContact OG1-N 3.34Å; T930-Q934 HydrophobicContact CG2-CB 3.99Å; T930-Q934 PolarHBondContact N-O 3.17Å; T930-Q934 WeakPolarHBondContact OG1-CB 3.24Å; T930-Q934 PolarHBondContact OG1-N 3.03Å; T930-E955 VanDerWaalsContact CB-OE1 3.25Å; T930-E955 WeakPolarHBondContact CB-OE1 3.47Å; T930-E955 PolarHBondContact OG1-OE1 2.85Å; T930-W981 WeakPolarHBondContact O-CZ2 3.49Å
931	S	93.9	Very high	87.3	Confident	5 Å²	5	51.2 Å²	51.2	4%	0.035	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-23.9	177.9	72.1	0	0	0	0	113	S912 G933 E955 C956 R979	S912-S931 PolarHBondContact O-N 3.38Å; S931-G933 VanDerWaalsContact C-N 3.32Å; S931-E955 WeakPolarHBondContact CB-OE2 3.3Å; S931-E955 PolarHBondContact N-OE2 2.7Å; S931-E955 WeakPolarHBondContact OG-CA 3.49Å; S931-E955 VanDerWaalsContact OG-CD 3.23Å; S931-E955 PolarHBondContact OG-OE2 2.8Å; S931-C956 WeakPolarHBondContact CB-O 3.45Å; S931-C956 PolarHBondContact OG-N 3.45Å; S931-C956 PolarHBondContact OG-O 3.14Å; S931-R979 PolarHBondContact O-NE 3.24Å; S931-R979 PolarHBondContact O-NH2 2.73Å
932	S	90.4	Very high	86.9	Confident	43 Å²	43	47.5 Å²	47.5	30%	0.301	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-16	171.8	58.8	0	0	0	0	113.9	T930 E955 R979	T930-S932 VanDerWaalsContact C-N 3.29Å; T930-S932 PolarHBondContact O-N 3.19Å; T930-S932 PolarHBondContact OG1-N 3.28Å; T930-S932 PolarHBondContact OG1-OG 3.43Å; S932-E955 WeakPolarHBondContact CB-OE1 3.4Å; S932-E955 PolarHBondContact N-OE1 3.4Å; S932-E955 VanDerWaalsContact N-OE1 3.17Å; S932-E955 PolarHBondContact OG-OE1 3.16Å; S932-R979 PolarHBondContact O-NH1 3.32Å; S932-R979 PolarHBondContact O-NH2 2.94Å
933	G	91.3	Very high	86.2	Confident	19 Å²	19	47.8 Å²	47.8	20%	0.196	30%	0.297	C	S	.	.	S	Bend	trans	103.7	7.4	179.7	0	0	0	0	0	114.8	T930 S931 W981	T930-G933 PolarHBondContact O-N 2.94Å; T930-G933 PolarHBondContact OG1-N 3.34Å; S931-G933 VanDerWaalsContact C-N 3.32Å; G933-W981 WeakPolarHBondContact O-CH2 3.32Å
934	Q	90.8	Very high	85.2	Confident	127 Å²	127	49.5 Å²	49.5	59%	0.593	30%	0.304	S	S	*	.			trans	-77.4	156	175.7	-59.4	179.9	-5.7	0	0	111.8	T930	T930-Q934 HydrophobicContact CG2-CB 3.99Å; T930-Q934 PolarHBondContact N-O 3.17Å; T930-Q934 WeakPolarHBondContact OG1-CB 3.24Å; T930-Q934 PolarHBondContact OG1-N 3.03Å
935	V	93	Very high	83.6	Confident	53 Å²	53	49 Å²	49	32%	0.321	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	110.1	-177.1	-179.1	0	0	0	0	109.6	R927 L929 W981 M986	R927-V935 HydrophobicContact CG-CG1 4.42Å; L929-V935 HydrophobicContact CD2-CB 4.46Å; L929-V935 HydrophobicContact CD2-CG1 4.05Å; L929-V935 HydrophobicContact CD2-CG2 3.96Å; V935-W981 HydrophobicContact CG2-CH2 3.92Å; V935-W981 HydrophobicContact CG2-CZ3 3.46Å; V935-W981 VanDerWaalsContact CG2-CZ3 3.46Å; V935-M986 WeakPolarHBondContact CG2-O 3.36Å
936	V	91.5	Very high	81.9	Confident	55 Å²	55	51.9 Å²	51.9	33%	0.333	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.1	177.1	-172.8	0	0	0	0	109.7	R927 T928 A940	R927-V936 CarbonylContact C-O 3.55Å; R927-V936 VanDerWaalsContact CA-O 3.31Å; R927-V936 WeakPolarHBondContact CA-O 3.46Å; R927-V936 WeakPolarHBondContact CD-O 3.42Å; T928-V936 PolarHBondContact N-O 3.03Å; T928-V936 PolarHBondContact O-N 3.3Å; V936-A940 HydrophobicContact CB-CB 3.88Å; V936-A940 HydrophobicContact CG1-CB 3.75Å; V936-A940 HydrophobicContact CG2-CB 4.15Å
937	T	90	Very high	80.1	Confident	102 Å²	102	59.3 Å²	59.3	63%	0.626	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.6	177.8	68.3	0	0	0	0	111.6
938	G	86	Confident	78.3	Confident	25 Å²	25	60 Å²	60	26%	0.258	37%	0.368	S	S	.	.	S	Bend	trans	77.7	-133.4	-178	0	0	0	0	0	113.6	C925 I926 R927 T928	C925-G938 PolarHBondContact SG-O 2.91Å; I926-G938 PolarHBondContact O-N 2.94Å; R927-G938 CarbonylContact C-O 3.56Å; R927-G938 VanDerWaalsContact C-O 3.28Å; R927-G938 PolarHBondContact N-O 3.37Å; T928-G938 PolarHBondContact N-O 3.43Å
939	D	85.3	Confident	76.6	Confident	54 Å²	54	64.1 Å²	64.1	29%	0.289	39%	0.389	S	S	.	.			trans	-115.7	93.4	-177.1	-170.5	-10.8	0	0	0	111.6	K915 C925 C941 A942	K915-D939 VanDerWaalsContact CE-CG 3.48Å; K915-D939 WeakPolarHBondContact CE-OD1 3.27Å; K915-D939 IonicContact NZ-OD1 3.37Å; K915-D939 PolarHBondContact NZ-OD1 3.17Å; K915-D939 IonicContact NZ-OD2 2.69Å; K915-D939 PolarHBondContact NZ-OD2 2.89Å; C925-D939 HydrophobicContact CB-CB 3.98Å; D939-C941 PolarHBondContact O-N 3.12Å; D939-C941 PolarHBondContact OD1-N 3.35Å; D939-A942 HydrophobicContact CB-CB 4.3Å; D939-A942 WeakPolarHBondContact O-CB 3.22Å; D939-A942 PolarHBondContact O-N 2.99Å; D939-A942 PolarHBondContact OD1-N 2.76Å
940	A	79.6	Confident	74.8	Confident	44 Å²	44	69.8 Å²	69.8	36%	0.364	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.9	177.5	0	0	0	0	0	114	T928 V936	T928-A940 HydrophobicContact CG2-CB 4.03Å; T928-A940 PolarHBondContact OG1-N 3.27Å; V936-A940 HydrophobicContact CB-CB 3.88Å; V936-A940 HydrophobicContact CG1-CB 3.75Å; V936-A940 HydrophobicContact CG2-CB 4.15Å
941	C	75.5	Confident	73.5	Confident	4 Å²	4	74 Å²	74	3%	0.027	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	2.1	-174	-55	0	0	0	0	113	G889 K915 D939 G943 T944	G889-C941 VanDerWaalsContact O-CB 3.29Å; G889-C941 WeakPolarHBondContact O-CB 3.27Å; K915-C941 HydrophobicContact CD-CB 4.46Å; D939-C941 PolarHBondContact O-N 3.12Å; D939-C941 PolarHBondContact OD1-N 3.35Å; C941-G943 PolarHBondContact O-N 2.62Å; C941-G943 VanDerWaalsContact O-N 3.1Å; C941-T944 PolarHBondContact O-N 3.3Å
942	A	61.3	Low	72.2	Confident	75 Å²	75	76.6 Å²	76.6	62%	0.62	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.6	-168.8	0	0	0	0	0	115	D939	D939-A942 HydrophobicContact CB-CB 4.3Å; D939-A942 WeakPolarHBondContact O-CB 3.22Å; D939-A942 PolarHBondContact O-N 2.99Å; D939-A942 PolarHBondContact OD1-N 2.76Å
943	G	53.9	Low	71	Confident	65 Å²	65	84.3 Å²	84.3	67%	0.67	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-11.9	176.1	0	0	0	0	0	115.5	C941 T945	C941-G943 PolarHBondContact O-N 2.62Å; C941-G943 VanDerWaalsContact O-N 3.1Å; G943-T945 PolarHBondContact O-N 3.02Å; G943-T945 VanDerWaalsContact O-N 3.08Å
944	T	58.3	Low	70.4	Confident	62 Å²	62	86.5 Å²	86.5	38%	0.38	52%	0.517	S	S	.	.			trans	-89.6	78.3	-164.5	-41.6	0	0	0	0	112.4	P891 C941	P891-T944 HydrophobicContact CB-CG2 4.13Å; C941-T944 PolarHBondContact O-N 3.3Å
945	T	54.3	Low	70.3	Confident	121 Å²	121	81.4 Å²	81.4	74%	0.742	49%	0.494	S	S	*	.			trans	-87.9	-9.6	-178.3	54.3	0	0	0	0	115.2	R871 G943	R871-T945 PolarHBondContact NH1-O 2.8Å; G943-T945 PolarHBondContact O-N 3.02Å; G943-T945 VanDerWaalsContact O-N 3.08Å
946	T	55.1	Low	70.2	Confident	78 Å²	78	81.8 Å²	81.8	48%	0.479	50%	0.498	S	S	.	.			trans	-59.3	163.6	-174.9	44	0	0	0	0	113.9	R871	R871-T946 PolarHBondContact NH1-O 3.43Å; R871-T946 PolarHBondContact NH2-O 3.25Å
947	R	56.3	Low	70.3	Confident	218 Å²	218	83.3 Å²	83.3	82%	0.823	50%	0.501	S	S	*	.	S	Bend	trans	-100.6	-27.2	175.9	-71	-173.2	-179.6	176.4	3.9	113.8
948	T	54.3	Low	70.6	Confident	106 Å²	106	78.5 Å²	78.5	65%	0.65	47%	0.472	S	S	*	.	S	Bend	trans	-60	141.1	173.4	-35.4	0	0	0	0	110.8
949	I	59.6	Low	71.1	Confident	86 Å²	86	78.1 Å²	78.1	44%	0.441	46%	0.464	S	S	.	.			trans	-98.9	91.2	173.3	-54.7	176.6	0	0	0	107.6	N892 T911 F951	N892-I949 WeakPolarHBondContact ND2-CG1 3.39Å; T911-I949 HydrophobicContact CG2-CG2 4.42Å; I949-F951 HydrophobicContact CG2-CD2 4Å; I949-F951 HydrophobicContact CG2-CE1 4.2Å; I949-F951 HydrophobicContact CG2-CE2 3.47Å; I949-F951 VanDerWaalsContact CG2-CE2 3.47Å; I949-F951 HydrophobicContact CG2-CZ 3.58Å
950	T	57.6	Low	71.7	Confident	119 Å²	119	77.9 Å²	77.9	73%	0.73	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-92.7	116.3	165.2	40.2	0	0	0	0	108.6
951	F	65.3	Low	72.6	Confident	93 Å²	93	75.8 Å²	75.8	41%	0.408	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-84.4	139.5	167	-64.3	-80.6	0	0	0	108.5	I949 Q957	I949-F951 HydrophobicContact CG2-CD2 4Å; I949-F951 HydrophobicContact CG2-CE1 4.2Å; I949-F951 HydrophobicContact CG2-CE2 3.47Å; I949-F951 VanDerWaalsContact CG2-CE2 3.47Å; I949-F951 HydrophobicContact CG2-CZ 3.58Å; F951-Q957 HydrophobicContact CE1-CB 4.21Å; F951-Q957 HydrophobicContact CZ-CB 4.15Å
952	A	66.6	Low	73.6	Confident	59 Å²	59	76 Å²	76	49%	0.488	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-69.4	153.7	164.7	0	0	0	0	0	109.5	G954 E955	A952-G954 PolarHBondContact O-N 2.91Å; A952-E955 HydrophobicContact CB-CG 4.07Å; A952-E955 WeakPolarHBondContact O-CB 3.46Å; A952-E955 PolarHBondContact O-N 3.43Å
953	Q	64.9	Low	75.2	Confident	206 Å²	206	73.8 Å²	73.8	96%	0.963	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	123.5	-179.8	-166.1	173.9	6.1	0	0	110.4
954	G	79.4	Confident	77	Confident	64 Å²	64	71 Å²	71	66%	0.66	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-5.1	-175.4	0	0	0	0	0	116.3	A952	A952-G954 PolarHBondContact O-N 2.91Å
955	E	88.2	Confident	78.5	Confident	21 Å²	21	72.2 Å²	72.2	10%	0.098	40%	0.402	C	S	.	.			trans	-86.3	136.6	172.8	-71.4	-70.7	137.2	0	0	112.3	S912 T930 S931 S932 A952	S912-E955 WeakPolarHBondContact CB-OE2 3.17Å; S912-E955 PolarHBondContact OG-OE2 2.88Å; T930-E955 VanDerWaalsContact CB-OE1 3.25Å; T930-E955 WeakPolarHBondContact CB-OE1 3.47Å; T930-E955 PolarHBondContact OG1-OE1 2.85Å; S931-E955 WeakPolarHBondContact CB-OE2 3.3Å; S931-E955 PolarHBondContact N-OE2 2.7Å; S931-E955 WeakPolarHBondContact OG-CA 3.49Å; S931-E955 VanDerWaalsContact OG-CD 3.23Å; S931-E955 PolarHBondContact OG-OE2 2.8Å; S932-E955 WeakPolarHBondContact CB-OE1 3.4Å; S932-E955 PolarHBondContact N-OE1 3.4Å; S932-E955 VanDerWaalsContact N-OE1 3.17Å; S932-E955 PolarHBondContact OG-OE1 3.16Å; A952-E955 HydrophobicContact CB-CG 4.07Å; A952-E955 WeakPolarHBondContact O-CB 3.46Å; A952-E955 PolarHBondContact O-N 3.43Å
956	C	91.3	Very high	80	Confident	60 Å²	60	69.5 Å²	69.5	41%	0.405	39%	0.388	S	S	.	.			trans	-116.4	152.5	177.6	-74.4	0	0	0	0	111.2	S912 S931 I958	S912-C956 WeakPolarHBondContact CA-O 3.24Å; S912-C956 WeakPolarHBondContact CB-O 3.43Å; S931-C956 WeakPolarHBondContact CB-O 3.45Å; S931-C956 PolarHBondContact OG-N 3.45Å; S931-C956 PolarHBondContact OG-O 3.14Å; C956-I958 PolarHBondContact O-N 3.31Å
957	Q	92.6	Very high	81.7	Confident	87 Å²	87	66.3 Å²	66.3	41%	0.407	37%	0.37	S	S	.	.			trans	-62.8	131.9	169.9	-174.3	176.3	-70.2	0	0	110.7	T911 F951 N959 A974 G975	T911-Q957 WeakPolarHBondContact O-CA 3.37Å; F951-Q957 HydrophobicContact CE1-CB 4.21Å; F951-Q957 HydrophobicContact CZ-CB 4.15Å; Q957-N959 PolarHBondContact NE2-OD1 3.32Å; Q957-A974 WeakPolarHBondContact O-CA 3.3Å; Q957-G975 PolarHBondContact O-N 2.88Å
958	I	96.8	Very high	83.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.9	169.4	-54	177.4	0	0	0	107.9	V895 V909 T911 S912 I914 C956 I961 A972 A973 A974	V895-I958 WeakPolarHBondContact CG2-O 3.36Å; V909-I958 HydrophobicContact CG1-CB 3.59Å; V909-I958 HydrophobicContact CG1-CG2 3.58Å; V909-I958 WeakPolarHBondContact CG1-O 3.31Å; T911-I958 PolarHBondContact O-N 3.08Å; S912-I958 VanDerWaalsContact O-CD1 3.28Å; S912-I958 WeakPolarHBondContact O-CD1 3.38Å; I914-I958 HydrophobicContact CD1-CD1 4.06Å; I914-I958 HydrophobicContact CG1-CD1 3.62Å; C956-I958 PolarHBondContact O-N 3.31Å; I958-I961 HydrophobicContact CG2-CG2 4.4Å; I958-A972 HydrophobicContact CG2-CB 4.2Å; I958-A973 CarbonylContact C-O 3.52Å; I958-A973 VanDerWaalsContact CA-O 3.24Å; I958-A973 WeakPolarHBondContact CA-O 3.23Å; I958-A973 WeakPolarHBondContact CG2-O 3.26Å; I958-A974 HydrophobicContact CG1-CB 4.04Å
959	N	96.9	Very high	85.2	Confident	18 Å²	18	52.3 Å²	52.3	10%	0.096	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-48.1	-174.9	-66.2	-41	0	0	0	112.3	Q957 A973 S998 V999 M1000	Q957-N959 PolarHBondContact NE2-OD1 3.32Å; N959-A973 PolarHBondContact N-O 3.2Å; N959-S998 PolarHBondContact ND2-OG 2.91Å; N959-V999 PolarHBondContact ND2-O 3.21Å; N959-M1000 WeakPolarHBondContact CB-O 3.46Å
960	Q	97.8	Very high	86.9	Confident	49 Å²	49	48.2 Å²	48.2	23%	0.229	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.2	179.7	-159.3	-161.8	-42.3	0	0	111.3	S896 A973 L1002	S896-Q960 WeakPolarHBondContact OG-CG 3.38Å; Q960-A973 PolarHBondContact O-N 3.29Å; Q960-L1002 HydrophobicContact CB-CD2 3.72Å; Q960-L1002 HydrophobicContact CG-CD2 4.01Å; Q960-L1002 PolarHBondContact NE2-O 3.37Å; Q960-L1002 WeakPolarHBondContact O-CD2 3.32Å; Q960-L1002 VanDerWaalsContact OE1-N 3.12Å
961	I	98.2	Very high	88.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	153.3	165.3	52.4	168.2	0	0	0	112.1	S896 K898 F907 V909 I914 I958 L970 Y971 A972	S896-I961 PolarHBondContact OG-N 2.81Å; K898-I961 HydrophobicContact CB-CD1 3.88Å; K898-I961 HydrophobicContact CB-CG1 4.35Å; K898-I961 HydrophobicContact CG-CD1 4.02Å; K898-I961 HydrophobicContact CG-CG1 3.91Å; F907-I961 HydrophobicContact CB-CD1 3.57Å; V909-I961 HydrophobicContact CG2-CB 4.2Å; V909-I961 HydrophobicContact CG2-CD1 3.7Å; V909-I961 HydrophobicContact CG2-CG1 3.64Å; V909-I961 HydrophobicContact CG2-CG2 3.6Å; I914-I961 HydrophobicContact CD1-CG2 3.92Å; I958-I961 HydrophobicContact CG2-CG2 4.4Å; I961-L970 HydrophobicContact CB-CD1 3.91Å; I961-L970 HydrophobicContact CD1-CD1 4.15Å; I961-L970 HydrophobicContact CG2-CD1 4.15Å; I961-Y971 CarbonylContact C-O 3.5Å; I961-Y971 VanDerWaalsContact CA-O 3.26Å; I961-Y971 WeakPolarHBondContact CA-O 3.49Å; I961-A972 HydrophobicContact CG2-CB 3.86Å
962	A	97.1	Very high	90.4	Very high	7 Å²	7	38.3 Å²	38.3	6%	0.058	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.3	167.1	0	0	0	0	0	109.7	Y971 L1002 V1004	A962-Y971 PolarHBondContact N-O 3.38Å; A962-Y971 PolarHBondContact O-N 3.31Å; A962-L1002 HydrophobicContact CB-CD1 4.27Å; A962-L1002 HydrophobicContact CB-CD2 4.22Å; A962-L1002 HydrophobicContact CB-CG 3.85Å; A962-V1004 HydrophobicContact CB-CG2 3.87Å
963	I	95	Very high	91.9	Very high	30 Å²	30	35.5 Å²	35.5	15%	0.154	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.1	176.9	-52.1	-179	0	0	0	106.8	K898 C900 F907 V969 L970 L983	K898-I963 HydrophobicContact CB-CD1 3.78Å; K898-I963 HydrophobicContact CB-CG1 4.06Å; K898-I963 HydrophobicContact CG-CG1 4.42Å; C900-I963 HydrophobicContact CB-CD1 3.96Å; F907-I963 HydrophobicContact CD2-CD1 3.75Å; F907-I963 HydrophobicContact CE2-CD1 3.88Å; I963-V969 WeakPolarHBondContact CA-O 3.42Å; I963-V969 WeakPolarHBondContact CG2-O 3.36Å; I963-L970 HydrophobicContact CD1-CD1 4.46Å; I963-L970 HydrophobicContact CG1-CD1 3.8Å; I963-L983 HydrophobicContact CG2-CD1 4.06Å
964	N	92.1	Very high	93.3	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.037	17%	0.167	C	C	.	.			trans	-67.3	159.5	174.5	66.5	-5.2	0	0	0	112.4	S966 G967 S968 V969 Y971 V1004 D1012	N964-S966 VanDerWaalsContact CG-OG 3.25Å; N964-S966 PolarHBondContact ND2-OG 3.44Å; N964-S966 VanDerWaalsContact ND2-OG 3.08Å; N964-S966 PolarHBondContact O-N 3.04Å; N964-S966 PolarHBondContact OD1-OG 3.02Å; N964-G967 PolarHBondContact O-N 2.99Å; N964-G967 WeakPolarHBondContact OD1-CA 3.36Å; N964-G967 PolarHBondContact OD1-N 2.9Å; N964-S968 PolarHBondContact ND2-OG 3.09Å; N964-S968 PolarHBondContact OD1-N 3.46Å; N964-V969 PolarHBondContact N-O 3.42Å; N964-V969 WeakPolarHBondContact ND2-CB 3.4Å; N964-V969 PolarHBondContact ND2-N 3.48Å; N964-V969 PolarHBondContact OD1-N 3.35Å; N964-V969 PolarHBondContact OD1-O 2.98Å; N964-Y971 HydrophobicContact CB-CE2 4.36Å; N964-V1004 HydrophobicContact CB-CG1 4.07Å; N964-D1012 WeakPolarHBondContact CB-OD1 3.35Å; N964-D1012 WeakPolarHBondContact CB-OD2 3.49Å; N964-D1012 PolarHBondContact ND2-OD2 2.83Å
965	P	88.7	Confident	94	Very high	87 Å²	87	23.5 Å²	23.5	57%	0.565	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.8	-176.7	-26.9	37.3	0	0	0	115.3	Q1006	P965-Q1006 HydrophobicContact CG-CB 4.33Å
966	S	86.9	Confident	94.4	Very high	64 Å²	64	26.2 Å²	26.2	45%	0.448	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-23.4	174.8	58.6	0	0	0	0	113.5	N964 S968	N964-S966 VanDerWaalsContact CG-OG 3.25Å; N964-S966 PolarHBondContact ND2-OG 3.44Å; N964-S966 VanDerWaalsContact ND2-OG 3.08Å; N964-S966 PolarHBondContact O-N 3.04Å; N964-S966 PolarHBondContact OD1-OG 3.02Å; S966-S968 PolarHBondContact OG-N 3.03Å; S966-S968 PolarHBondContact OG-OG 3.45Å
967	G	89.3	Confident	94.6	Very high	10 Å²	10	24.9 Å²	24.9	10%	0.103	15%	0.147	C	C	.	.	S	Bend	trans	78.8	12.6	-172.4	0	0	0	0	0	114.7	N964	N964-G967 PolarHBondContact O-N 2.99Å; N964-G967 WeakPolarHBondContact OD1-CA 3.36Å; N964-G967 PolarHBondContact OD1-N 2.9Å
968	S	90.5	Very high	94.9	Very high	12 Å²	12	20.8 Å²	20.8	8%	0.084	13%	0.128	C	C	.	.	S	Bend	trans	-83.8	-27	178	62.5	0	0	0	0	114.1	N964 S966 L983 E1030	N964-S968 PolarHBondContact ND2-OG 3.09Å; N964-S968 PolarHBondContact OD1-N 3.46Å; S966-S968 PolarHBondContact OG-N 3.03Å; S966-S968 PolarHBondContact OG-OG 3.45Å; S968-L983 PolarHBondContact O-N 3.09Å; S968-E1030 PolarHBondContact OG-OE1 3.26Å
969	V	93.8	Very high	94.9	Very high	18 Å²	18	22.9 Å²	22.9	11%	0.109	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.2	-174.8	-172.9	0	0	0	0	112.3	I963 N964 Y971 W981	I963-V969 WeakPolarHBondContact CA-O 3.42Å; I963-V969 WeakPolarHBondContact CG2-O 3.36Å; N964-V969 PolarHBondContact N-O 3.42Å; N964-V969 WeakPolarHBondContact ND2-CB 3.4Å; N964-V969 PolarHBondContact ND2-N 3.48Å; N964-V969 PolarHBondContact OD1-N 3.35Å; N964-V969 PolarHBondContact OD1-O 2.98Å; V969-Y971 HydrophobicContact CB-CE2 3.94Å; V969-Y971 HydrophobicContact CG1-CD2 4.1Å; V969-Y971 HydrophobicContact CG1-CE1 4.07Å; V969-Y971 HydrophobicContact CG1-CE2 3.54Å; V969-W981 CarbonylContact C-O 3.6Å; V969-W981 VanDerWaalsContact CA-O 3.3Å; V969-W981 WeakPolarHBondContact CA-O 3.41Å; V969-W981 WeakPolarHBondContact CG1-O 3.41Å
970	L	96.3	Very high	94.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.8	171.4	168.7	80.3	0	0	0	109.8	F907 I914 L929 I961 I963 W981 L983	F907-L970 HydrophobicContact CD1-CD2 3.87Å; F907-L970 HydrophobicContact CE1-CD2 4.05Å; I914-L970 HydrophobicContact CD1-CD2 4.09Å; L929-L970 HydrophobicContact CD1-CD2 3.98Å; I961-L970 HydrophobicContact CB-CD1 3.91Å; I961-L970 HydrophobicContact CD1-CD1 4.15Å; I961-L970 HydrophobicContact CG2-CD1 4.15Å; I963-L970 HydrophobicContact CD1-CD1 4.46Å; I963-L970 HydrophobicContact CG1-CD1 3.8Å; L970-W981 HydrophobicContact CB-CB 4.02Å; L970-W981 HydrophobicContact CD2-CB 4.37Å; L970-W981 HydrophobicContact CD2-CG 4.42Å; L970-W981 HydrophobicContact CG-CB 4.49Å; L970-W981 PolarHBondContact N-O 3.13Å; L970-W981 WeakPolarHBondContact O-CB 3.1Å; L970-W981 PolarHBondContact O-N 2.84Å; L970-L983 HydrophobicContact CB-CD1 4.04Å; L970-L983 HydrophobicContact CB-CD2 3.64Å; L970-L983 HydrophobicContact CB-CG 3.89Å; L970-L983 HydrophobicContact CD2-CD2 4.15Å
971	Y	97.5	Very high	94.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.6	177.4	-65	-86.3	0	0	0	109.7	I961 A962 N964 V969 V978 R979 M980 L992 V1004 V1014 V1028	I961-Y971 CarbonylContact C-O 3.5Å; I961-Y971 VanDerWaalsContact CA-O 3.26Å; I961-Y971 WeakPolarHBondContact CA-O 3.49Å; A962-Y971 PolarHBondContact N-O 3.38Å; A962-Y971 PolarHBondContact O-N 3.31Å; N964-Y971 HydrophobicContact CB-CE2 4.36Å; V969-Y971 HydrophobicContact CB-CE2 3.94Å; V969-Y971 HydrophobicContact CG1-CD2 4.1Å; V969-Y971 HydrophobicContact CG1-CE1 4.07Å; V969-Y971 HydrophobicContact CG1-CE2 3.54Å; Y971-V978 HydrophobicContact CD1-CG1 4.29Å; Y971-R979 WeakPolarHBondContact CA-O 3.31Å; Y971-M980 HydrophobicContact CD1-CB 4.44Å; Y971-M980 HydrophobicContact CD1-CG 3.9Å; Y971-M980 HydrophobicContact CE1-CB 4.26Å; Y971-M980 HydrophobicContact CE1-CG 3.68Å; Y971-M980 HydrophobicContact CE1-SD 3.84Å; Y971-L992 HydrophobicContact CD1-CD1 4.36Å; Y971-V1004 HydrophobicContact CD2-CG2 3.69Å; Y971-V1004 HydrophobicContact CE2-CG1 4.43Å; Y971-V1004 HydrophobicContact CE2-CG2 4.15Å; Y971-V1004 HydrophobicContact CG-CG2 4.37Å; Y971-V1014 HydrophobicContact CD1-CG1 4.21Å; Y971-V1014 HydrophobicContact CD1-CG2 3.77Å; Y971-V1014 HydrophobicContact CD2-CG2 4.25Å; Y971-V1014 HydrophobicContact CE1-CG2 3.44Å; Y971-V1014 VanDerWaalsContact CE1-CG2 3.44Å; Y971-V1014 HydrophobicContact CE2-CG2 3.94Å; Y971-V1014 HydrophobicContact CG-CG1 4.32Å; Y971-V1014 HydrophobicContact CG-CG2 4.16Å; Y971-V1028 HydrophobicContact CE1-CG2 4.34Å
972	A	98.1	Very high	94.5	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.017	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	110.3	-174.3	0	0	0	0	0	111.7	I914 I958 I961 A974 V978 R979	I914-A972 HydrophobicContact CD1-CB 3.73Å; I958-A972 HydrophobicContact CG2-CB 4.2Å; I961-A972 HydrophobicContact CG2-CB 3.86Å; A972-A974 PolarHBondContact O-N 3.4Å; A972-V978 CarbonylContact O-C 3.53Å; A972-V978 WeakPolarHBondContact O-CA 3.45Å; A972-R979 PolarHBondContact N-O 3.25Å; A972-R979 PolarHBondContact O-N 3.21Å
973	A	97.9	Very high	94.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	108.8	177.6	0	0	0	0	0	110.6	I958 N959 Q960 V978 V999 L1002	I958-A973 CarbonylContact C-O 3.52Å; I958-A973 VanDerWaalsContact CA-O 3.24Å; I958-A973 WeakPolarHBondContact CA-O 3.23Å; I958-A973 WeakPolarHBondContact CG2-O 3.26Å; N959-A973 PolarHBondContact N-O 3.2Å; Q960-A973 PolarHBondContact O-N 3.29Å; A973-V978 HydrophobicContact CB-CG2 4.22Å; A973-V999 HydrophobicContact CB-CB 3.94Å; A973-V999 HydrophobicContact CB-CG1 3.65Å; A973-L1002 HydrophobicContact CB-CD2 4.15Å
974	A	95.4	Very high	94	Very high	3 Å²	3	26.4 Å²	26.4	3%	0.025	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	116.9	-171	0	0	0	0	0	110.1	Q957 I958 A972 N976 I977	Q957-A974 WeakPolarHBondContact O-CA 3.3Å; I958-A974 HydrophobicContact CG1-CB 4.04Å; A972-A974 PolarHBondContact O-N 3.4Å; A974-N976 PolarHBondContact O-N 2.95Å; A974-I977 PolarHBondContact N-O 2.99Å; A974-I977 WeakPolarHBondContact O-CG1 3.36Å; A974-I977 PolarHBondContact O-N 3.37Å; A974-I977 VanDerWaalsContact O-N 3.1Å; A974-I977 VanDerWaalsContact O-O 3.06Å
975	G	94	Very high	93.8	Very high	16 Å²	16	34.4 Å²	34.4	17%	0.165	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-128	-171.1	0	0	0	0	0	110.7	Q957 S998 V999	Q957-G975 PolarHBondContact O-N 2.88Å; G975-S998 CarbonylContact O-C 3.56Å; G975-S998 WeakPolarHBondContact O-CA 3.3Å; G975-S998 WeakPolarHBondContact O-CB 3.45Å; G975-S998 PolarHBondContact O-OG 3.47Å; G975-V999 PolarHBondContact O-N 3.26Å
976	N	95.8	Very high	93.9	Very high	77 Å²	77	31.5 Å²	31.5	41%	0.412	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	8.4	175.6	71.3	-39.5	0	0	0	114.5	A974 H995 G997	A974-N976 PolarHBondContact O-N 2.95Å; N976-H995 PolarHBondContact ND2-O 3.01Å; N976-H995 VanDerWaalsContact ND2-O 3.08Å; N976-G997 WeakPolarHBondContact CA-O 3.32Å; N976-G997 WeakPolarHBondContact CB-O 3.49Å
977	I	96.4	Very high	94.1	Very high	32 Å²	32	33.9 Å²	33.9	16%	0.164	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	167.2	178	61.5	166.9	0	0	0	111.6	A974 K991 L992	A974-I977 PolarHBondContact N-O 2.99Å; A974-I977 WeakPolarHBondContact O-CG1 3.36Å; A974-I977 PolarHBondContact O-N 3.37Å; A974-I977 VanDerWaalsContact O-N 3.1Å; A974-I977 VanDerWaalsContact O-O 3.06Å; I977-K991 HydrophobicContact CD1-CB 4.14Å; I977-K991 HydrophobicContact CD1-CD 4.27Å; I977-L992 VanDerWaalsContact CA-O 3.31Å; I977-L992 WeakPolarHBondContact CA-O 3.31Å; I977-L992 VanDerWaalsContact CB-O 3.31Å; I977-L992 WeakPolarHBondContact CB-O 3.47Å
978	V	97.9	Very high	94.3	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117	164.7	-179.2	0	0	0	0	108.8	Y971 A972 A973 K991 L992 V999 L1002 T1016	Y971-V978 HydrophobicContact CD1-CG1 4.29Å; A972-V978 CarbonylContact O-C 3.53Å; A972-V978 WeakPolarHBondContact O-CA 3.45Å; A973-V978 HydrophobicContact CB-CG2 4.22Å; V978-K991 CarbonylContact O-C 3.33Å; V978-K991 WeakPolarHBondContact O-CA 3.36Å; V978-L992 HydrophobicContact CB-CB 4.05Å; V978-L992 HydrophobicContact CB-CD1 3.99Å; V978-L992 HydrophobicContact CB-CG 4.09Å; V978-L992 HydrophobicContact CG1-CD1 4.19Å; V978-L992 PolarHBondContact N-O 2.95Å; V978-L992 PolarHBondContact O-N 3.39Å; V978-V999 HydrophobicContact CG2-CB 4.45Å; V978-V999 HydrophobicContact CG2-CG1 4Å; V978-V999 HydrophobicContact CG2-CG2 4.37Å; V978-L1002 HydrophobicContact CG1-CD1 3.62Å; V978-L1002 HydrophobicContact CG2-CD1 4.34Å; V978-T1016 HydrophobicContact CG2-CG2 3.67Å
979	R	96.6	Very high	94.4	Very high	44 Å²	44	36.2 Å²	36.2	17%	0.166	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	136.9	177.3	-168.2	172.5	-62.1	-89.1	1.8	110.8	S931 S932 Y971 A972 A988	S931-R979 PolarHBondContact O-NE 3.24Å; S931-R979 PolarHBondContact O-NH2 2.73Å; S932-R979 PolarHBondContact O-NH1 3.32Å; S932-R979 PolarHBondContact O-NH2 2.94Å; Y971-R979 WeakPolarHBondContact CA-O 3.31Å; A972-R979 PolarHBondContact N-O 3.25Å; A972-R979 PolarHBondContact O-N 3.21Å; R979-A988 HydrophobicContact CG-CB 4.36Å
980	M	96.4	Very high	94.3	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	137.9	178.1	-51.2	-167.1	-66.3	0	0	110.2	Y971 A988 T989 G990 L992 V1028 T1032 V1036	Y971-M980 HydrophobicContact CD1-CB 4.44Å; Y971-M980 HydrophobicContact CD1-CG 3.9Å; Y971-M980 HydrophobicContact CE1-CB 4.26Å; Y971-M980 HydrophobicContact CE1-CG 3.68Å; Y971-M980 HydrophobicContact CE1-SD 3.84Å; M980-A988 CarbonylContact O-C 3.58Å; M980-A988 WeakPolarHBondContact O-CA 3.45Å; M980-T989 VanDerWaalsContact CB-OG1 3.28Å; M980-T989 WeakPolarHBondContact CB-OG1 3.27Å; M980-T989 PolarHBondContact O-N 2.86Å; M980-T989 PolarHBondContact O-OG1 2.94Å; M980-G990 PolarHBondContact N-O 2.84Å; M980-L992 HydrophobicContact CG-CD2 4.14Å; M980-L992 HydrophobicContact CG-CG 4.34Å; M980-L992 HydrophobicContact SD-CD2 3.6Å; M980-L992 HydrophobicContact SD-CG 4.41Å; M980-V1028 HydrophobicContact SD-CG1 3.76Å; M980-V1028 HydrophobicContact SD-CG2 4.17Å; M980-T1032 HydrophobicContact CE-CG2 4.47Å; M980-V1036 HydrophobicContact CE-CG2 4.03Å
981	W	95.2	Very high	94.3	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.011	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	119	-175.9	-69.4	95	0	0	0	111.5	L929 T930 G933 V935 V969 L970 L983 Q987 A988	L929-W981 HydrophobicContact CB-CH2 3.81Å; L929-W981 HydrophobicContact CB-CZ2 3.8Å; L929-W981 HydrophobicContact CB-CZ3 4.3Å; L929-W981 HydrophobicContact CD1-CD2 3.99Å; L929-W981 HydrophobicContact CD1-CE3 4.05Å; L929-W981 HydrophobicContact CD1-CG 4.44Å; L929-W981 HydrophobicContact CD1-CZ3 4.38Å; L929-W981 HydrophobicContact CD2-CE3 4.3Å; L929-W981 HydrophobicContact CD2-CH2 4.26Å; L929-W981 HydrophobicContact CD2-CZ3 3.95Å; L929-W981 HydrophobicContact CG-CH2 4.43Å; L929-W981 HydrophobicContact CG-CZ3 4.43Å; T930-W981 WeakPolarHBondContact O-CZ2 3.49Å; G933-W981 WeakPolarHBondContact O-CH2 3.32Å; V935-W981 HydrophobicContact CG2-CH2 3.92Å; V935-W981 HydrophobicContact CG2-CZ3 3.46Å; V935-W981 VanDerWaalsContact CG2-CZ3 3.46Å; V969-W981 CarbonylContact C-O 3.6Å; V969-W981 VanDerWaalsContact CA-O 3.3Å; V969-W981 WeakPolarHBondContact CA-O 3.41Å; V969-W981 WeakPolarHBondContact CG1-O 3.41Å; L970-W981 HydrophobicContact CB-CB 4.02Å; L970-W981 HydrophobicContact CD2-CB 4.37Å; L970-W981 HydrophobicContact CD2-CG 4.42Å; L970-W981 HydrophobicContact CG-CB 4.49Å; L970-W981 PolarHBondContact N-O 3.13Å; L970-W981 WeakPolarHBondContact O-CB 3.1Å; L970-W981 PolarHBondContact O-N 2.84Å; W981-L983 PolarHBondContact O-N 2.89Å; W981-Q987 CarbonylContact C-O 3.58Å; W981-Q987 WeakPolarHBondContact CA-O 3.46Å; W981-A988 HydrophobicContact CD2-CB 4.18Å; W981-A988 HydrophobicContact CE3-CB 3.92Å; W981-A988 VanDerWaalsContact CE3-N 3.31Å; W981-A988 HydrophobicContact CH2-CB 4Å; W981-A988 HydrophobicContact CZ2-CB 4.26Å; W981-A988 HydrophobicContact CZ3-CB 3.79Å
982	D	92.8	Very high	94.3	Very high	27 Å²	27	40.3 Å²	40.3	14%	0.144	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	117.4	167.2	177.7	-20.6	0	0	0	108.6	N984 R985 M986 Q987 T989	D982-N984 WeakPolarHBondContact OD1-CA 3.07Å; D982-N984 VanDerWaalsContact OD1-CB 3.29Å; D982-N984 WeakPolarHBondContact OD1-CB 3.5Å; D982-N984 PolarHBondContact OD1-N 3.42Å; D982-R985 HydrophobicContact CB-CB 4.24Å; D982-R985 PolarHBondContact OD1-N 3.35Å; D982-R985 WeakPolarHBondContact OD2-CD 3.44Å; D982-R985 WeakPolarHBondContact OD2-CG 3.12Å; D982-R985 IonicContact OD2-NE 3.38Å; D982-R985 PolarHBondContact OD2-NE 2.92Å; D982-R985 VanDerWaalsContact OD2-NE 3.17Å; D982-M986 WeakPolarHBondContact O-CA 3.33Å; D982-M986 PolarHBondContact O-N 3Å; D982-Q987 PolarHBondContact N-O 2.86Å; D982-Q987 PolarHBondContact O-N 3.08Å; D982-T989 HydrophobicContact CB-CG2 3.76Å
983	L	91.6	Very high	94.1	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.084	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-16.6	-179.6	-68.4	-175.4	0	0	0	113.8	F907 I963 S968 L970 W981 M986	F907-L983 HydrophobicContact CE1-CD2 3.6Å; F907-L983 HydrophobicContact CE2-CD1 4.3Å; F907-L983 HydrophobicContact CZ-CD1 3.88Å; F907-L983 HydrophobicContact CZ-CD2 3.54Å; F907-L983 HydrophobicContact CZ-CG 4.34Å; I963-L983 HydrophobicContact CG2-CD1 4.06Å; S968-L983 PolarHBondContact O-N 3.09Å; L970-L983 HydrophobicContact CB-CD1 4.04Å; L970-L983 HydrophobicContact CB-CD2 3.64Å; L970-L983 HydrophobicContact CB-CG 3.89Å; L970-L983 HydrophobicContact CD2-CD2 4.15Å; W981-L983 PolarHBondContact O-N 2.89Å; L983-M986 HydrophobicContact CD2-SD 4.15Å; L983-M986 VanDerWaalsContact O-SD 3.34Å
984	N	89.8	Confident	93.9	Very high	130 Å²	130	43.4 Å²	43.4	70%	0.695	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-41	173.2	-55.4	-68.5	0	0	0	110.6	D982	D982-N984 WeakPolarHBondContact OD1-CA 3.07Å; D982-N984 VanDerWaalsContact OD1-CB 3.29Å; D982-N984 WeakPolarHBondContact OD1-CB 3.5Å; D982-N984 PolarHBondContact OD1-N 3.42Å
985	R	88.9	Confident	94	Very high	176 Å²	176	43.6 Å²	43.6	66%	0.664	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-21	175.9	-63.3	179.4	-162.8	-137	-2.2	113.4	D982 Q987	D982-R985 HydrophobicContact CB-CB 4.24Å; D982-R985 PolarHBondContact OD1-N 3.35Å; D982-R985 WeakPolarHBondContact OD2-CD 3.44Å; D982-R985 WeakPolarHBondContact OD2-CG 3.12Å; D982-R985 IonicContact OD2-NE 3.38Å; D982-R985 PolarHBondContact OD2-NE 2.92Å; D982-R985 VanDerWaalsContact OD2-NE 3.17Å; R985-Q987 HydrophobicContact CB-CB 4.19Å; R985-Q987 HydrophobicContact CB-CG 4.21Å
986	M	90.7	Very high	94.1	Very high	25 Å²	25	50.6 Å²	50.6	12%	0.123	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	50.6	-167.9	-62.8	-61.4	-55.1	0	0	111.9	V916 R927 L929 V935 D982 L983	V916-M986 HydrophobicContact CB-CE 4.37Å; V916-M986 HydrophobicContact CG1-CE 3.97Å; V916-M986 HydrophobicContact CG2-CE 3.83Å; R927-M986 HydrophobicContact CB-CE 4.42Å; R927-M986 HydrophobicContact CG-CE 4.34Å; L929-M986 HydrophobicContact CD1-CE 4.32Å; L929-M986 HydrophobicContact CD2-CE 4.05Å; V935-M986 WeakPolarHBondContact CG2-O 3.36Å; D982-M986 WeakPolarHBondContact O-CA 3.33Å; D982-M986 PolarHBondContact O-N 3Å; L983-M986 HydrophobicContact CD2-SD 4.15Å; L983-M986 VanDerWaalsContact O-SD 3.34Å
987	Q	91.4	Very high	94	Very high	114 Å²	114	47.6 Å²	47.6	53%	0.533	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	151.3	-175.4	-70.9	175.5	17.2	0	0	111.6	W981 D982 R985	W981-Q987 CarbonylContact C-O 3.58Å; W981-Q987 WeakPolarHBondContact CA-O 3.46Å; D982-Q987 PolarHBondContact N-O 2.86Å; D982-Q987 PolarHBondContact O-N 3.08Å; R985-Q987 HydrophobicContact CB-CB 4.19Å; R985-Q987 HydrophobicContact CB-CG 4.21Å
988	A	92.8	Very high	94	Very high	40 Å²	40	47.7 Å²	47.7	33%	0.331	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.7	176.1	0	0	0	0	0	110.2	R979 M980 W981	R979-A988 HydrophobicContact CG-CB 4.36Å; M980-A988 CarbonylContact O-C 3.58Å; M980-A988 WeakPolarHBondContact O-CA 3.45Å; W981-A988 HydrophobicContact CD2-CB 4.18Å; W981-A988 HydrophobicContact CE3-CB 3.92Å; W981-A988 VanDerWaalsContact CE3-N 3.31Å; W981-A988 HydrophobicContact CH2-CB 4Å; W981-A988 HydrophobicContact CZ2-CB 4.26Å; W981-A988 HydrophobicContact CZ3-CB 3.79Å
989	T	92.4	Very high	94	Very high	32 Å²	32	47.7 Å²	47.7	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-29.6	-179.8	49.8	0	0	0	0	113	M980 D982 L1033 G1034	M980-T989 VanDerWaalsContact CB-OG1 3.28Å; M980-T989 WeakPolarHBondContact CB-OG1 3.27Å; M980-T989 PolarHBondContact O-N 2.86Å; M980-T989 PolarHBondContact O-OG1 2.94Å; D982-T989 HydrophobicContact CB-CG2 3.76Å; T989-L1033 HydrophobicContact CG2-CD2 4.13Å; T989-L1033 WeakPolarHBondContact O-CA 3.49Å; T989-G1034 PolarHBondContact O-N 3.17Å; T989-G1034 VanDerWaalsContact O-N 3.09Å
990	G	92.8	Very high	94.1	Very high	12 Å²	12	47.8 Å²	47.8	12%	0.124	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-164.8	-175.6	0	0	0	0	0	114.4	M980 G1034	M980-G990 PolarHBondContact N-O 2.84Å; G990-G1034 CarbonylContact C-O 3.46Å; G990-G1034 WeakPolarHBondContact CA-O 3.48Å
991	K	95.3	Very high	94.1	Very high	91 Å²	91	47.7 Å²	47.7	40%	0.396	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	143.9	179.6	66.9	-171.1	-179	-175.2	0	111.6	I977 V978 G1034 N1035 V1036	I977-K991 HydrophobicContact CD1-CB 4.14Å; I977-K991 HydrophobicContact CD1-CD 4.27Å; V978-K991 CarbonylContact O-C 3.33Å; V978-K991 WeakPolarHBondContact O-CA 3.36Å; K991-G1034 PolarHBondContact N-O 2.9Å; K991-N1035 VanDerWaalsContact CE-OD1 3.31Å; K991-N1035 WeakPolarHBondContact CE-OD1 3.37Å; K991-N1035 HydrophobicContact CG-CB 4.34Å; K991-N1035 WeakPolarHBondContact CG-OD1 3.35Å; K991-N1035 WeakPolarHBondContact O-CA 3.43Å; K991-V1036 PolarHBondContact O-N 3Å
992	L	97	Very high	94.3	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.4	166.9	-44.2	-177	0	0	0	108	Y971 I977 V978 M980 V1014 F1026 V1028 V1036	Y971-L992 HydrophobicContact CD1-CD1 4.36Å; I977-L992 VanDerWaalsContact CA-O 3.31Å; I977-L992 WeakPolarHBondContact CA-O 3.31Å; I977-L992 VanDerWaalsContact CB-O 3.31Å; I977-L992 WeakPolarHBondContact CB-O 3.47Å; V978-L992 HydrophobicContact CB-CB 4.05Å; V978-L992 HydrophobicContact CB-CD1 3.99Å; V978-L992 HydrophobicContact CB-CG 4.09Å; V978-L992 HydrophobicContact CG1-CD1 4.19Å; V978-L992 PolarHBondContact N-O 2.95Å; V978-L992 PolarHBondContact O-N 3.39Å; M980-L992 HydrophobicContact CG-CD2 4.14Å; M980-L992 HydrophobicContact CG-CG 4.34Å; M980-L992 HydrophobicContact SD-CD2 3.6Å; M980-L992 HydrophobicContact SD-CG 4.41Å; L992-V1014 HydrophobicContact CD1-CB 3.7Å; L992-V1014 HydrophobicContact CD1-CG1 3.6Å; L992-V1014 HydrophobicContact CD1-CG2 4.05Å; L992-F1026 HydrophobicContact CB-CD1 3.76Å; L992-F1026 HydrophobicContact CB-CD2 4.44Å; L992-F1026 HydrophobicContact CB-CE1 3.73Å; L992-F1026 HydrophobicContact CB-CE2 4.43Å; L992-F1026 HydrophobicContact CB-CG 4.14Å; L992-F1026 HydrophobicContact CB-CZ 4.09Å; L992-F1026 HydrophobicContact CD1-CB 3.96Å; L992-F1026 HydrophobicContact CD1-CD1 4.32Å; L992-F1026 HydrophobicContact CD1-CD2 4.11Å; L992-F1026 HydrophobicContact CD1-CG 3.89Å; L992-F1026 HydrophobicContact CD2-CB 4.28Å; L992-F1026 HydrophobicContact CD2-CD1 4.15Å; L992-F1026 HydrophobicContact CD2-CG 4.36Å; L992-F1026 HydrophobicContact CG-CD1 4.29Å; L992-F1026 HydrophobicContact CG-CG 4.36Å; L992-V1028 HydrophobicContact CD2-CG2 3.82Å; L992-V1036 WeakPolarHBondContact CA-O 3.41Å; L992-V1036 HydrophobicContact CD2-CB 3.7Å; L992-V1036 HydrophobicContact CD2-CG1 4.28Å; L992-V1036 HydrophobicContact CD2-CG2 4.08Å
993	S	95.8	Very high	94.4	Very high	28 Å²	28	47.9 Å²	47.9	20%	0.196	26%	0.26	C	S	.	.			trans	-138	164.4	-178.3	64.2	0	0	0	0	112.8	F1026 N1035 V1036 P1038	S993-F1026 VanDerWaalsContact O-CE1 3.29Å; S993-F1026 WeakPolarHBondContact O-CE1 3.35Å; S993-N1035 WeakPolarHBondContact CB-OD1 3.49Å; S993-N1035 PolarHBondContact OG-ND2 2.73Å; S993-N1035 VanDerWaalsContact OG-ND2 3.17Å; S993-N1035 PolarHBondContact OG-OD1 2.93Å; S993-V1036 PolarHBondContact N-O 3.19Å; S993-P1038 WeakPolarHBondContact O-CD 3.35Å
994	G	93.1	Very high	94.5	Very high	39 Å²	39	48 Å²	48	40%	0.402	26%	0.261	S	S	.	.			trans	123.4	-0.9	-178.6	0	0	0	0	0	115.1	K1024	G994-K1024 WeakPolarHBondContact O-CE 3.44Å; G994-K1024 PolarHBondContact O-NZ 2.83Å
995	H	96.9	Very high	94.5	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.037	23%	0.233	C	C	.	.			trans	-83.9	146.4	162.2	-83.9	-70	0	0	0	111	N976 V999 T1016 S1018 D1020 K1024	N976-H995 PolarHBondContact ND2-O 3.01Å; N976-H995 VanDerWaalsContact ND2-O 3.08Å; H995-V999 HydrophobicContact CB-CG2 4.1Å; H995-T1016 PolarHBondContact CD2-OG1 2.9Å; H995-T1016 PolarHBondContact NE2-OG1 3.16Å; H995-S1018 WeakPolarHBondContact CE1-CB 3.46Å; H995-S1018 WeakPolarHBondContact ND1-CB 3.47Å; H995-D1020 WeakPolarHBondContact CB-OD2 3.35Å; H995-D1020 IonicContact CE1-OD1 2.7Å; H995-D1020 IonicContact CG-OD2 3.67Å; H995-D1020 IonicContact ND1-OD1 2.73Å; H995-D1020 PolarHBondContact ND1-OD1 3.26Å; H995-D1020 VanDerWaalsContact ND1-OD1 3.11Å; H995-D1020 IonicContact ND1-OD2 3.3Å; H995-D1020 PolarHBondContact ND1-OD2 2.66Å; H995-K1024 WeakPolarHBondContact ND1-CE 3.49Å
996	I	95.6	Very high	94.2	Very high	162 Å²	162	39 Å²	39	83%	0.831	23%	0.225	S	C	*	.	S	Bend	trans	-95.6	-38.8	178.3	-54.9	173.4	0	0	0	109.1	D1020	I996-D1020 HydrophobicContact CB-CB 4.42Å; I996-D1020 PolarHBondContact N-OD2 3.27Å
997	G	94.9	Very high	93.7	Very high	14 Å²	14	39 Å²	39	14%	0.144	23%	0.228	C	C	.	.	S	Bend	trans	-85.7	170	173.5	0	0	0	0	0	112.2	N976 V999 S1018 D1020	N976-G997 WeakPolarHBondContact CA-O 3.32Å; N976-G997 WeakPolarHBondContact CB-O 3.49Å; G997-V999 PolarHBondContact O-N 3.08Å; G997-S1018 VanDerWaalsContact C-OG 3.28Å; G997-S1018 PolarHBondContact O-OG 3.42Å; G997-D1020 PolarHBondContact N-OD2 3.27Å
998	S	96.7	Very high	92.6	Very high	35 Å²	35	41.9 Å²	41.9	25%	0.245	25%	0.246	C	C	.	.			trans	-68.4	133.1	172.5	-176.7	0	0	0	0	110.8	N959 G975 M1000 S1018 K1019	N959-S998 PolarHBondContact ND2-OG 2.91Å; G975-S998 CarbonylContact O-C 3.56Å; G975-S998 WeakPolarHBondContact O-CA 3.3Å; G975-S998 WeakPolarHBondContact O-CB 3.45Å; G975-S998 PolarHBondContact O-OG 3.47Å; S998-M1000 PolarHBondContact O-N 2.92Å; S998-S1018 WeakPolarHBondContact O-CA 3.46Å; S998-S1018 PolarHBondContact O-OG 2.88Å; S998-K1019 PolarHBondContact O-N 2.95Å
999	V	98.3	Very high	91.5	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	112.4	174.9	-176.8	0	0	0	0	107.9	N959 A973 G975 V978 H995 G997 T1016	N959-V999 PolarHBondContact ND2-O 3.21Å; A973-V999 HydrophobicContact CB-CB 3.94Å; A973-V999 HydrophobicContact CB-CG1 3.65Å; G975-V999 PolarHBondContact O-N 3.26Å; V978-V999 HydrophobicContact CG2-CB 4.45Å; V978-V999 HydrophobicContact CG2-CG1 4Å; V978-V999 HydrophobicContact CG2-CG2 4.37Å; H995-V999 HydrophobicContact CB-CG2 4.1Å; G997-V999 PolarHBondContact O-N 3.08Å; V999-T1016 HydrophobicContact CG1-CG2 4.4Å
1000	M	97.6	Very high	90.7	Very high	46 Å²	46	47.5 Å²	47.5	23%	0.227	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-39	-174.6	-66.9	-56.6	-46.3	0	0	111.6	N959 S998 G1017 K1019 I1050	N959-M1000 WeakPolarHBondContact CB-O 3.46Å; S998-M1000 PolarHBondContact O-N 2.92Å; M1000-G1017 PolarHBondContact N-O 3.46Å; M1000-K1019 HydrophobicContact CG-CB 4.28Å; M1000-I1050 VanDerWaalsContact CB-O 3.3Å; M1000-I1050 WeakPolarHBondContact CB-O 3.39Å
1001	C	97.3	Very high	90.4	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.007	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	158	-176.3	60.2	0	0	0	0	112	G1017 E1051	C1001-G1017 PolarHBondContact N-O 3.38Å; C1001-G1017 VanDerWaalsContact N-O 3.11Å; C1001-G1017 PolarHBondContact O-N 2.95Å; C1001-E1051 WeakPolarHBondContact CB-O 3.32Å
1002	L	97.8	Very high	90.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	158.6	172.9	78.5	173.8	0	0	0	112.3	Q960 A962 A973 V978 V1014 I1015 T1016	Q960-L1002 HydrophobicContact CB-CD2 3.72Å; Q960-L1002 HydrophobicContact CG-CD2 4.01Å; Q960-L1002 PolarHBondContact NE2-O 3.37Å; Q960-L1002 WeakPolarHBondContact O-CD2 3.32Å; Q960-L1002 VanDerWaalsContact OE1-N 3.12Å; A962-L1002 HydrophobicContact CB-CD1 4.27Å; A962-L1002 HydrophobicContact CB-CD2 4.22Å; A962-L1002 HydrophobicContact CB-CG 3.85Å; A973-L1002 HydrophobicContact CB-CD2 4.15Å; V978-L1002 HydrophobicContact CG1-CD1 3.62Å; V978-L1002 HydrophobicContact CG2-CD1 4.34Å; L1002-V1014 HydrophobicContact CD1-CG1 4.26Å; L1002-I1015 CarbonylContact C-O 3.55Å; L1002-I1015 WeakPolarHBondContact CA-O 3.36Å; L1002-I1015 WeakPolarHBondContact CB-O 3.4Å; L1002-T1016 HydrophobicContact CB-CG2 4.28Å
1003	T	96	Very high	90.1	Very high	30 Å²	30	48.2 Å²	48.2	18%	0.184	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.9	168	-170	0	0	0	0	109.7	I1015 L1053 V1055 L1060	T1003-I1015 HydrophobicContact CG2-CB 3.98Å; T1003-I1015 HydrophobicContact CG2-CD1 4.37Å; T1003-I1015 PolarHBondContact N-O 2.9Å; T1003-I1015 PolarHBondContact O-N 3.17Å; T1003-L1053 HydrophobicContact CG2-CB 3.93Å; T1003-V1055 HydrophobicContact CG2-CB 4.22Å; T1003-V1055 HydrophobicContact CG2-CG1 3.81Å; T1003-L1060 HydrophobicContact CG2-CD1 4.48Å
1004	V	94.3	Very high	90.1	Very high	17 Å²	17	46.9 Å²	46.9	10%	0.103	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.9	178.7	-174.9	0	0	0	0	108.8	A962 N964 Y971 D1012 Q1013 V1014	A962-V1004 HydrophobicContact CB-CG2 3.87Å; N964-V1004 HydrophobicContact CB-CG1 4.07Å; Y971-V1004 HydrophobicContact CD2-CG2 3.69Å; Y971-V1004 HydrophobicContact CE2-CG1 4.43Å; Y971-V1004 HydrophobicContact CE2-CG2 4.15Å; Y971-V1004 HydrophobicContact CG-CG2 4.37Å; V1004-D1012 HydrophobicContact CG1-CB 4.15Å; V1004-Q1013 WeakPolarHBondContact CA-O 3.36Å; V1004-V1014 HydrophobicContact CG2-CG1 4.41Å; V1004-V1014 HydrophobicContact CG2-CG2 4.42Å
1005	G	88.6	Confident	90.3	Very high	11 Å²	11	45 Å²	45	11%	0.113	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-179.6	163.5	0	0	0	0	0	110.7	Q1013	G1005-Q1013 PolarHBondContact N-O 2.95Å; G1005-Q1013 PolarHBondContact O-N 3.25Å
1006	Q	83.5	Confident	90.4	Very high	106 Å²	106	44.7 Å²	44.7	50%	0.495	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.5	171.8	-166.5	170.6	25.4	0	0	109.4	P965 G1010	P965-Q1006 HydrophobicContact CG-CB 4.33Å; Q1006-G1010 PolarHBondContact NE2-O 3.17Å
1007	S	79.3	Confident	90.5	Very high	26 Å²	26	37 Å²	37	18%	0.182	21%	0.21	C	C	.	.			trans	-70.7	156.7	179.7	-176.8	0	0	0	0	111.1	L1009 G1010 K1011	S1007-L1009 PolarHBondContact O-N 3.39Å; S1007-L1009 VanDerWaalsContact O-N 3.08Å; S1007-L1009 PolarHBondContact OG-N 3.48Å; S1007-G1010 PolarHBondContact O-N 2.93Å; S1007-K1011 PolarHBondContact N-O 3.26Å
1008	L	68.1	Low	90.7	Very high	175 Å²	175	36.3 Å²	36.3	92%	0.916	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-22.4	168.8	-60.4	177.6	0	0	0	112.9	G1010	L1008-G1010 VanDerWaalsContact C-N 3.33Å
1009	L	71	Confident	90.7	Very high	143 Å²	143	40.4 Å²	40.4	75%	0.749	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	13.2	175.2	-60.1	177.7	0	0	0	113.7	S1007 K1011	S1007-L1009 PolarHBondContact O-N 3.39Å; S1007-L1009 VanDerWaalsContact O-N 3.08Å; S1007-L1009 PolarHBondContact OG-N 3.48Å; L1009-K1011 PolarHBondContact O-N 3.16Å; L1009-K1011 VanDerWaalsContact O-N 3.14Å
1010	G	75.3	Confident	90.6	Very high	46 Å²	46	41.6 Å²	41.6	47%	0.474	22%	0.223	S	C	.	.	S	Bend	trans	77	-11.4	177.8	0	0	0	0	0	115.9	Q1006 S1007 L1008	Q1006-G1010 PolarHBondContact NE2-O 3.17Å; S1007-G1010 PolarHBondContact O-N 2.93Å; L1008-G1010 VanDerWaalsContact C-N 3.33Å
1011	K	86.4	Confident	90.6	Very high	82 Å²	82	42.6 Å²	42.6	36%	0.357	23%	0.227	S	C	.	.			trans	-63.3	144.6	175.4	-61.7	-174.5	-177.9	-178.2	0	112.1	S1007 L1009 D1027 V1028	S1007-K1011 PolarHBondContact N-O 3.26Å; L1009-K1011 PolarHBondContact O-N 3.16Å; L1009-K1011 VanDerWaalsContact O-N 3.14Å; K1011-D1027 HydrophobicContact CD-CB 4.2Å; K1011-V1028 WeakPolarHBondContact CA-O 3.45Å; K1011-V1028 WeakPolarHBondContact CB-O 3.32Å
1012	D	92.3	Very high	90.7	Very high	9 Å²	9	46 Å²	46	5%	0.048	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	125.1	170.9	-77.1	-28.9	0	0	0	109.8	N964 V1004 V1028	N964-D1012 WeakPolarHBondContact CB-OD1 3.35Å; N964-D1012 WeakPolarHBondContact CB-OD2 3.49Å; N964-D1012 PolarHBondContact ND2-OD2 2.83Å; V1004-D1012 HydrophobicContact CG1-CB 4.15Å; D1012-V1028 HydrophobicContact CB-CB 4.46Å; D1012-V1028 PolarHBondContact N-O 3.37Å; D1012-V1028 PolarHBondContact O-N 3.03Å
1013	Q	93.4	Very high	90.7	Very high	30 Å²	30	45.9 Å²	45.9	14%	0.14	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	97.9	178.9	-64.9	-159.2	-63.7	0	0	109.6	V1004 G1005 I1025 D1027	V1004-Q1013 WeakPolarHBondContact CA-O 3.36Å; G1005-Q1013 PolarHBondContact N-O 2.95Å; G1005-Q1013 PolarHBondContact O-N 3.25Å; Q1013-I1025 HydrophobicContact CB-CD1 4.19Å; Q1013-D1027 WeakPolarHBondContact CG-OD1 3.49Å; Q1013-D1027 PolarHBondContact NE2-OD1 3.49Å
1014	V	95.9	Very high	90.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	114.3	-177.6	-168.2	0	0	0	0	108.8	Y971 L992 L1002 V1004 T1016 I1025 F1026 V1028	Y971-V1014 HydrophobicContact CD1-CG1 4.21Å; Y971-V1014 HydrophobicContact CD1-CG2 3.77Å; Y971-V1014 HydrophobicContact CD2-CG2 4.25Å; Y971-V1014 HydrophobicContact CE1-CG2 3.44Å; Y971-V1014 VanDerWaalsContact CE1-CG2 3.44Å; Y971-V1014 HydrophobicContact CE2-CG2 3.94Å; Y971-V1014 HydrophobicContact CG-CG1 4.32Å; Y971-V1014 HydrophobicContact CG-CG2 4.16Å; L992-V1014 HydrophobicContact CD1-CB 3.7Å; L992-V1014 HydrophobicContact CD1-CG1 3.6Å; L992-V1014 HydrophobicContact CD1-CG2 4.05Å; L1002-V1014 HydrophobicContact CD1-CG1 4.26Å; V1004-V1014 HydrophobicContact CG2-CG1 4.41Å; V1004-V1014 HydrophobicContact CG2-CG2 4.42Å; V1014-T1016 HydrophobicContact CG1-CG2 4.18Å; V1014-I1025 CarbonylContact O-C 3.6Å; V1014-I1025 WeakPolarHBondContact O-CA 3.37Å; V1014-F1026 HydrophobicContact CB-CB 4.37Å; V1014-F1026 PolarHBondContact N-O 3.25Å; V1014-F1026 PolarHBondContact O-N 2.91Å; V1014-V1028 HydrophobicContact CG2-CG2 3.94Å
1015	I	97.3	Very high	90.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.8	-177.3	-55.2	171.1	0	0	0	107.9	L1002 T1003 V1023 K1024 I1025 L1053 V1055 L1060 L1074	L1002-I1015 CarbonylContact C-O 3.55Å; L1002-I1015 WeakPolarHBondContact CA-O 3.36Å; L1002-I1015 WeakPolarHBondContact CB-O 3.4Å; T1003-I1015 HydrophobicContact CG2-CB 3.98Å; T1003-I1015 HydrophobicContact CG2-CD1 4.37Å; T1003-I1015 PolarHBondContact N-O 2.9Å; T1003-I1015 PolarHBondContact O-N 3.17Å; I1015-V1023 HydrophobicContact CG2-CG1 3.72Å; I1015-K1024 CarbonylContact C-O 3.52Å; I1015-K1024 WeakPolarHBondContact CA-O 3.39Å; I1015-I1025 HydrophobicContact CG1-CB 4.42Å; I1015-I1025 HydrophobicContact CG1-CD1 4.12Å; I1015-I1025 HydrophobicContact CG1-CG1 4.07Å; I1015-L1053 HydrophobicContact CG2-CD1 4.06Å; I1015-L1053 WeakPolarHBondContact O-CD1 2.74Å; I1015-V1055 HydrophobicContact CD1-CB 4.34Å; I1015-V1055 HydrophobicContact CD1-CG2 4.17Å; I1015-L1060 HydrophobicContact CD1-CD1 4.05Å; I1015-L1060 HydrophobicContact CD1-CD2 4.3Å; I1015-L1060 HydrophobicContact CG2-CD1 3.98Å; I1015-L1060 HydrophobicContact CG2-CD2 3.6Å; I1015-L1060 HydrophobicContact CG2-CG 4.44Å; I1015-L1074 HydrophobicContact CD1-CD1 3.85Å; I1015-L1074 HydrophobicContact CD1-CD2 4.07Å
1016	T	98.3	Very high	91.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.5	-169.9	59.1	0	0	0	0	111.7	V978 H995 V999 L1002 V1014 V1023 K1024 F1026	V978-T1016 HydrophobicContact CG2-CG2 3.67Å; H995-T1016 PolarHBondContact CD2-OG1 2.9Å; H995-T1016 PolarHBondContact NE2-OG1 3.16Å; V999-T1016 HydrophobicContact CG1-CG2 4.4Å; L1002-T1016 HydrophobicContact CB-CG2 4.28Å; V1014-T1016 HydrophobicContact CG1-CG2 4.18Å; T1016-V1023 VanDerWaalsContact O-CA 3.28Å; T1016-V1023 WeakPolarHBondContact O-CA 3.47Å; T1016-K1024 PolarHBondContact N-O 3.18Å; T1016-K1024 PolarHBondContact O-N 3.31Å; T1016-F1026 HydrophobicContact CG2-CD2 4.25Å; T1016-F1026 HydrophobicContact CG2-CE2 4.13Å; T1016-F1026 WeakPolarHBondContact OG1-CE2 3.2Å
1017	G	98.3	Very high	91.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.7	178.4	0	0	0	0	0	111	M1000 C1001	M1000-G1017 PolarHBondContact N-O 3.46Å; C1001-G1017 PolarHBondContact N-O 3.38Å; C1001-G1017 VanDerWaalsContact N-O 3.11Å; C1001-G1017 PolarHBondContact O-N 2.95Å
1018	S	98.4	Very high	92.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	161.9	-167.9	172.8	0	0	0	0	113.9	H995 G997 S998 D1020 H1021 Y1022 G1049 I1050	H995-S1018 WeakPolarHBondContact CE1-CB 3.46Å; H995-S1018 WeakPolarHBondContact ND1-CB 3.47Å; G997-S1018 VanDerWaalsContact C-OG 3.28Å; G997-S1018 PolarHBondContact O-OG 3.42Å; S998-S1018 WeakPolarHBondContact O-CA 3.46Å; S998-S1018 PolarHBondContact O-OG 2.88Å; S1018-D1020 VanDerWaalsContact CB-OD1 3.25Å; S1018-D1020 WeakPolarHBondContact CB-OD1 3.38Å; S1018-D1020 WeakPolarHBondContact CB-OD2 3.33Å; S1018-D1020 PolarHBondContact O-N 2.99Å; S1018-D1020 PolarHBondContact OG-N 3.34Å; S1018-D1020 VanDerWaalsContact OG-N 3.09Å; S1018-D1020 PolarHBondContact OG-OD1 3.31Å; S1018-D1020 PolarHBondContact OG-OD2 2.86Å; S1018-H1021 PolarHBondContact O-N 3.32Å; S1018-H1021 VanDerWaalsContact O-N 3.14Å; S1018-Y1022 PolarHBondContact N-O 2.9Å; S1018-G1049 WeakPolarHBondContact O-CA 3.49Å; S1018-I1050 PolarHBondContact O-N 2.96Å
1019	K	97.7	Very high	93.2	Very high	121 Å²	121	34.8 Å²	34.8	53%	0.526	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.6	166.8	-163.5	-171.5	169.3	-166.6	0	112.8	S998 M1000 H1021	S998-K1019 PolarHBondContact O-N 2.95Å; M1000-K1019 HydrophobicContact CG-CB 4.28Å; K1019-H1021 PolarHBondContact O-CD2 3.14Å; K1019-H1021 PolarHBondContact O-N 2.88Å
1020	D	96.8	Very high	93.6	Very high	26 Å²	26	35.2 Å²	35.2	14%	0.139	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	6.2	168.8	57.8	44	0	0	0	114.5	H995 I996 G997 S1018 Y1022	H995-D1020 WeakPolarHBondContact CB-OD2 3.35Å; H995-D1020 IonicContact CE1-OD1 2.7Å; H995-D1020 IonicContact CG-OD2 3.67Å; H995-D1020 IonicContact ND1-OD1 2.73Å; H995-D1020 PolarHBondContact ND1-OD1 3.26Å; H995-D1020 VanDerWaalsContact ND1-OD1 3.11Å; H995-D1020 IonicContact ND1-OD2 3.3Å; H995-D1020 PolarHBondContact ND1-OD2 2.66Å; I996-D1020 HydrophobicContact CB-CB 4.42Å; I996-D1020 PolarHBondContact N-OD2 3.27Å; G997-D1020 PolarHBondContact N-OD2 3.27Å; S1018-D1020 VanDerWaalsContact CB-OD1 3.25Å; S1018-D1020 WeakPolarHBondContact CB-OD1 3.38Å; S1018-D1020 WeakPolarHBondContact CB-OD2 3.33Å; S1018-D1020 PolarHBondContact O-N 2.99Å; S1018-D1020 PolarHBondContact OG-N 3.34Å; S1018-D1020 VanDerWaalsContact OG-N 3.09Å; S1018-D1020 PolarHBondContact OG-OD1 3.31Å; S1018-D1020 PolarHBondContact OG-OD2 2.86Å; D1020-Y1022 VanDerWaalsContact O-CD2 3.26Å; D1020-Y1022 WeakPolarHBondContact O-CD2 3.4Å; D1020-Y1022 PolarHBondContact O-N 3Å; D1020-Y1022 WeakPolarHBondContact OD1-CB 3.3Å; D1020-Y1022 PolarHBondContact OD1-N 2.82Å
1021	H	97.9	Very high	93.6	Very high	67 Å²	67	35.9 Å²	35.9	31%	0.31	19%	0.188	S	C	.	.	S	Bend	trans	70.8	-0.7	177.9	-30.9	162.7	0	0	0	115.4	S1018 K1019 P1045 H1046 Y1047 D1048 G1049 I1050	S1018-H1021 PolarHBondContact O-N 3.32Å; S1018-H1021 VanDerWaalsContact O-N 3.14Å; K1019-H1021 PolarHBondContact O-CD2 3.14Å; K1019-H1021 PolarHBondContact O-N 2.88Å; H1021-P1045 HydrophobicContact CB-CB 4.46Å; H1021-P1045 WeakPolarHBondContact O-CB 3.48Å; H1021-H1046 HydrophobicContact CB-CB 4.47Å; H1021-H1046 VanDerWaalsContact CB-O 3.26Å; H1021-H1046 WeakPolarHBondContact CB-O 3.5Å; H1021-H1046 PolarHBondContact O-N 3.1Å; H1021-H1046 VanDerWaalsContact O-N 3.07Å; H1021-Y1047 PolarHBondContact CE1-O 3.41Å; H1021-Y1047 PolarHBondContact ND1-O 3.26Å; H1021-D1048 VanDerWaalsContact CD2-CA 3.49Å; H1021-D1048 WeakPolarHBondContact CD2-CA 3.49Å; H1021-G1049 PolarHBondContact CD2-N 3.06Å; H1021-G1049 VanDerWaalsContact CD2-N 3.28Å; H1021-I1050 WeakPolarHBondContact O-CD1 3.45Å
1022	Y	97.9	Very high	93.6	Very high	72 Å²	72	34 Å²	34	28%	0.282	18%	0.184	S	C	.	.			trans	-89.8	154.3	174.3	-71.1	-91.6	0	0	0	112.1	S1018 D1020 N1041 E1043 P1045 I1050	S1018-Y1022 PolarHBondContact N-O 2.9Å; D1020-Y1022 VanDerWaalsContact O-CD2 3.26Å; D1020-Y1022 WeakPolarHBondContact O-CD2 3.4Å; D1020-Y1022 PolarHBondContact O-N 3Å; D1020-Y1022 WeakPolarHBondContact OD1-CB 3.3Å; D1020-Y1022 PolarHBondContact OD1-N 2.82Å; Y1022-N1041 WeakPolarHBondContact CD1-ND2 3.39Å; Y1022-N1041 VanDerWaalsContact CD1-OD1 3.32Å; Y1022-N1041 WeakPolarHBondContact CD1-OD1 3.38Å; Y1022-N1041 VanDerWaalsContact CE1-ND2 3.29Å; Y1022-N1041 WeakPolarHBondContact CE1-ND2 3.42Å; Y1022-E1043 HydrophobicContact CE1-CG 4.16Å; Y1022-P1045 HydrophobicContact CD1-CB 3.88Å; Y1022-P1045 HydrophobicContact CD1-CG 4.42Å; Y1022-P1045 HydrophobicContact CD2-CB 4.32Å; Y1022-P1045 HydrophobicContact CE1-CB 3.81Å; Y1022-P1045 HydrophobicContact CE1-CG 3.84Å; Y1022-P1045 HydrophobicContact CE2-CB 4.23Å; Y1022-P1045 HydrophobicContact CE2-CG 4.32Å; Y1022-P1045 HydrophobicContact CG-CB 4.15Å; Y1022-I1050 WeakPolarHBondContact O-CG1 3.39Å
1023	V	98	Very high	93.4	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.8	161.2	-175.9	0	0	0	0	107.3	I1015 T1016 F1042 I1050 L1053 L1060	I1015-V1023 HydrophobicContact CG2-CG1 3.72Å; T1016-V1023 VanDerWaalsContact O-CA 3.28Å; T1016-V1023 WeakPolarHBondContact O-CA 3.47Å; V1023-F1042 HydrophobicContact CB-CB 4.29Å; V1023-F1042 HydrophobicContact CB-CD2 4.1Å; V1023-F1042 HydrophobicContact CG1-CD2 3.91Å; V1023-F1042 HydrophobicContact CG1-CE2 4.47Å; V1023-F1042 PolarHBondContact O-N 2.98Å; V1023-I1050 HydrophobicContact CG2-CD1 4.02Å; V1023-I1050 HydrophobicContact CG2-CG1 3.91Å; V1023-I1050 HydrophobicContact CG2-CG2 4.38Å; V1023-L1053 HydrophobicContact CG1-CD2 3.95Å; V1023-L1053 HydrophobicContact CG2-CD2 4.09Å; V1023-L1060 HydrophobicContact CG1-CD2 4.08Å
1024	K	97.2	Very high	93.1	Very high	24 Å²	24	40.3 Å²	40.3	10%	0.104	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	159	175.5	-63.7	177.6	-164.6	-79	0	110	G994 H995 I1015 T1016 F1026 P1038 H1040 N1041	G994-K1024 WeakPolarHBondContact O-CE 3.44Å; G994-K1024 PolarHBondContact O-NZ 2.83Å; H995-K1024 WeakPolarHBondContact ND1-CE 3.49Å; I1015-K1024 CarbonylContact C-O 3.52Å; I1015-K1024 WeakPolarHBondContact CA-O 3.39Å; T1016-K1024 PolarHBondContact N-O 3.18Å; T1016-K1024 PolarHBondContact O-N 3.31Å; K1024-F1026 HydrophobicContact CB-CE2 3.9Å; K1024-P1038 HydrophobicContact CB-CB 4.27Å; K1024-P1038 HydrophobicContact CD-CB 4.08Å; K1024-P1038 HydrophobicContact CD-CG 4.38Å; K1024-P1038 HydrophobicContact CG-CB 4.48Å; K1024-H1040 WeakPolarHBondContact CA-O 3.43Å; K1024-N1041 HydrophobicContact CG-CB 4.48Å; K1024-N1041 PolarHBondContact NZ-OD1 3.3Å
1025	I	95.6	Very high	93	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.5	174.1	-177.5	169.7	0	0	0	109.8	Q1013 V1014 I1015 A1039 H1040 F1042 L1074	Q1013-I1025 HydrophobicContact CB-CD1 4.19Å; V1014-I1025 CarbonylContact O-C 3.6Å; V1014-I1025 WeakPolarHBondContact O-CA 3.37Å; I1015-I1025 HydrophobicContact CG1-CB 4.42Å; I1015-I1025 HydrophobicContact CG1-CD1 4.12Å; I1015-I1025 HydrophobicContact CG1-CG1 4.07Å; I1025-A1039 PolarHBondContact O-N 3.15Å; I1025-H1040 HydrophobicContact CG2-CB 3.62Å; I1025-H1040 PolarHBondContact N-O 3.22Å; I1025-H1040 VanDerWaalsContact N-O 3.13Å; I1025-H1040 PolarHBondContact O-N 3.29Å; I1025-F1042 HydrophobicContact CB-CE2 4.13Å; I1025-F1042 HydrophobicContact CG2-CE2 3.93Å; I1025-F1042 HydrophobicContact CG2-CZ 4.34Å; I1025-L1074 HydrophobicContact CD1-CD2 4.27Å
1026	F	95.3	Very high	92.9	Very high	2 Å²	2	46 Å²	46	1%	0.009	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.5	-180	-62.6	-104	0	0	0	108.6	L992 S993 V1014 T1016 K1024 V1028 V1036 G1037 P1038	L992-F1026 HydrophobicContact CB-CD1 3.76Å; L992-F1026 HydrophobicContact CB-CD2 4.44Å; L992-F1026 HydrophobicContact CB-CE1 3.73Å; L992-F1026 HydrophobicContact CB-CE2 4.43Å; L992-F1026 HydrophobicContact CB-CG 4.14Å; L992-F1026 HydrophobicContact CB-CZ 4.09Å; L992-F1026 HydrophobicContact CD1-CB 3.96Å; L992-F1026 HydrophobicContact CD1-CD1 4.32Å; L992-F1026 HydrophobicContact CD1-CD2 4.11Å; L992-F1026 HydrophobicContact CD1-CG 3.89Å; L992-F1026 HydrophobicContact CD2-CB 4.28Å; L992-F1026 HydrophobicContact CD2-CD1 4.15Å; L992-F1026 HydrophobicContact CD2-CG 4.36Å; L992-F1026 HydrophobicContact CG-CD1 4.29Å; L992-F1026 HydrophobicContact CG-CG 4.36Å; S993-F1026 VanDerWaalsContact O-CE1 3.29Å; S993-F1026 WeakPolarHBondContact O-CE1 3.35Å; V1014-F1026 HydrophobicContact CB-CB 4.37Å; V1014-F1026 PolarHBondContact N-O 3.25Å; V1014-F1026 PolarHBondContact O-N 2.91Å; T1016-F1026 HydrophobicContact CG2-CD2 4.25Å; T1016-F1026 HydrophobicContact CG2-CE2 4.13Å; T1016-F1026 WeakPolarHBondContact OG1-CE2 3.2Å; K1024-F1026 HydrophobicContact CB-CE2 3.9Å; F1026-V1028 HydrophobicContact CB-CG2 4.43Å; F1026-V1028 PolarHBondContact O-N 2.95Å; F1026-V1036 HydrophobicContact CD1-CG1 4.41Å; F1026-V1036 WeakPolarHBondContact CE1-O 3.29Å; F1026-G1037 VanDerWaalsContact CD1-C 3.47Å; F1026-G1037 WeakPolarHBondContact CD1-O 3.4Å; F1026-G1037 VanDerWaalsContact CE1-C 3.4Å; F1026-P1038 HydrophobicContact CD1-CB 4.44Å; F1026-P1038 HydrophobicContact CE1-CB 3.95Å; F1026-P1038 VanDerWaalsContact CE1-N 3.3Å; F1026-P1038 HydrophobicContact CE2-CB 4.35Å; F1026-P1038 HydrophobicContact CZ-CB 3.89Å
1027	D	92.9	Very high	92.6	Very high	57 Å²	57	47.9 Å²	47.9	31%	0.305	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	104.2	174.2	-71.3	-36.9	0	0	0	109.9	K1011 Q1013	K1011-D1027 HydrophobicContact CD-CB 4.2Å; Q1013-D1027 WeakPolarHBondContact CG-OD1 3.49Å; Q1013-D1027 PolarHBondContact NE2-OD1 3.49Å
1028	V	92.6	Very high	92.5	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.03	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.7	-177.6	-174.7	0	0	0	0	109.7	Y971 M980 L992 K1011 D1012 V1014 F1026	Y971-V1028 HydrophobicContact CE1-CG2 4.34Å; M980-V1028 HydrophobicContact SD-CG1 3.76Å; M980-V1028 HydrophobicContact SD-CG2 4.17Å; L992-V1028 HydrophobicContact CD2-CG2 3.82Å; K1011-V1028 WeakPolarHBondContact CA-O 3.45Å; K1011-V1028 WeakPolarHBondContact CB-O 3.32Å; D1012-V1028 HydrophobicContact CB-CB 4.46Å; D1012-V1028 PolarHBondContact N-O 3.37Å; D1012-V1028 PolarHBondContact O-N 3.03Å; V1014-V1028 HydrophobicContact CG2-CG2 3.94Å; F1026-V1028 HydrophobicContact CB-CG2 4.43Å; F1026-V1028 PolarHBondContact O-N 2.95Å
1029	A	88.3	Confident	92.2	Very high	41 Å²	41	53 Å²	53	34%	0.339	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-81.5	148.6	169.7	0	0	0	0	0	110.6	G1031 T1032	A1029-G1031 PolarHBondContact O-N 3.13Å; A1029-T1032 PolarHBondContact N-OG1 3.28Å; A1029-T1032 VanDerWaalsContact N-OG1 3.16Å; A1029-T1032 WeakPolarHBondContact O-CB 3.28Å; A1029-T1032 PolarHBondContact O-N 3.35Å; A1029-T1032 PolarHBondContact O-OG1 3.22Å
1030	E	80.8	Confident	92	Very high	152 Å²	152	49.4 Å²	49.4	71%	0.71	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	133	173.8	-171.5	159.9	-128.4	0	0	110.2	S968	S968-E1030 PolarHBondContact OG-OE1 3.26Å
1031	G	74.8	Confident	91.9	Very high	61 Å²	61	50.1 Å²	50.1	63%	0.629	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	4.7	-173.8	0	0	0	0	0	116.1	A1029 L1033	A1029-G1031 PolarHBondContact O-N 3.13Å; G1031-L1033 PolarHBondContact O-N 3.07Å
1032	T	85.6	Confident	91.8	Very high	42 Å²	42	47 Å²	47	26%	0.258	29%	0.29	S	S	.	.			trans	-60.3	126.8	175.7	-55.4	0	0	0	0	111.3	M980 A1029 V1036	M980-T1032 HydrophobicContact CE-CG2 4.47Å; A1029-T1032 PolarHBondContact N-OG1 3.28Å; A1029-T1032 VanDerWaalsContact N-OG1 3.16Å; A1029-T1032 WeakPolarHBondContact O-CB 3.28Å; A1029-T1032 PolarHBondContact O-N 3.35Å; A1029-T1032 PolarHBondContact O-OG1 3.22Å; T1032-V1036 HydrophobicContact CG2-CG2 3.71Å
1033	L	87.8	Confident	91.6	Very high	131 Å²	131	49.2 Å²	49.2	69%	0.686	30%	0.303	S	S	*	.			trans	-106.3	161.9	175.5	-59.9	-178.7	0	0	0	111.8	T989 G1031	T989-L1033 HydrophobicContact CG2-CD2 4.13Å; T989-L1033 WeakPolarHBondContact O-CA 3.49Å; G1031-L1033 PolarHBondContact O-N 3.07Å
1034	G	88.7	Confident	91.5	Very high	41 Å²	41	52.4 Å²	52.4	42%	0.423	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	83.4	-141.4	168.4	0	0	0	0	0	115	T989 G990 K991	T989-G1034 PolarHBondContact O-N 3.17Å; T989-G1034 VanDerWaalsContact O-N 3.09Å; G990-G1034 CarbonylContact C-O 3.46Å; G990-G1034 WeakPolarHBondContact CA-O 3.48Å; K991-G1034 PolarHBondContact N-O 2.9Å
1035	N	92.5	Very high	91.5	Very high	93 Å²	93	53 Å²	53	50%	0.497	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.4	-174.1	-176.3	62.4	0	0	0	111.8	K991 S993	K991-N1035 VanDerWaalsContact CE-OD1 3.31Å; K991-N1035 WeakPolarHBondContact CE-OD1 3.37Å; K991-N1035 HydrophobicContact CG-CB 4.34Å; K991-N1035 WeakPolarHBondContact CG-OD1 3.35Å; K991-N1035 WeakPolarHBondContact O-CA 3.43Å; S993-N1035 WeakPolarHBondContact CB-OD1 3.49Å; S993-N1035 PolarHBondContact OG-ND2 2.73Å; S993-N1035 VanDerWaalsContact OG-ND2 3.17Å; S993-N1035 PolarHBondContact OG-OD1 2.93Å
1036	V	94.9	Very high	91.6	Very high	25 Å²	25	53.1 Å²	53.1	15%	0.152	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.3	-179.5	-169.9	0	0	0	0	109.9	M980 K991 L992 S993 F1026 T1032	M980-V1036 HydrophobicContact CE-CG2 4.03Å; K991-V1036 PolarHBondContact O-N 3Å; L992-V1036 WeakPolarHBondContact CA-O 3.41Å; L992-V1036 HydrophobicContact CD2-CB 3.7Å; L992-V1036 HydrophobicContact CD2-CG1 4.28Å; L992-V1036 HydrophobicContact CD2-CG2 4.08Å; S993-V1036 PolarHBondContact N-O 3.19Å; F1026-V1036 HydrophobicContact CD1-CG1 4.41Å; F1026-V1036 WeakPolarHBondContact CE1-O 3.29Å; T1032-V1036 HydrophobicContact CG2-CG2 3.71Å
1037	G	93.6	Very high	91.6	Very high	41 Å²	41	61.4 Å²	61.4	42%	0.423	36%	0.363	S	S	.	.			trans	-83.3	165.3	172.7	0	0	0	0	0	112.7	F1026	F1026-G1037 VanDerWaalsContact CD1-C 3.47Å; F1026-G1037 WeakPolarHBondContact CD1-O 3.4Å; F1026-G1037 VanDerWaalsContact CE1-C 3.4Å
1038	P	95	Very high	91.9	Very high	54 Å²	54	61.4 Å²	61.4	35%	0.351	36%	0.363	S	S	.	.			trans	-70	134.7	-179.2	30.3	-33.7	0	0	0	110.4	S993 K1024 F1026	S993-P1038 WeakPolarHBondContact O-CD 3.35Å; K1024-P1038 HydrophobicContact CB-CB 4.27Å; K1024-P1038 HydrophobicContact CD-CB 4.08Å; K1024-P1038 HydrophobicContact CD-CG 4.38Å; K1024-P1038 HydrophobicContact CG-CB 4.48Å; F1026-P1038 HydrophobicContact CD1-CB 4.44Å; F1026-P1038 HydrophobicContact CE1-CB 3.95Å; F1026-P1038 VanDerWaalsContact CE1-N 3.3Å; F1026-P1038 HydrophobicContact CE2-CB 4.35Å; F1026-P1038 HydrophobicContact CZ-CB 3.89Å
1039	A	92.4	Very high	92.1	Very high	53 Å²	53	61.1 Å²	61.1	44%	0.438	36%	0.362	S	S	.	.	S	Bend	trans	-72.1	-35.5	172.1	0	0	0	0	0	111.3	I1025	I1025-A1039 PolarHBondContact O-N 3.15Å
1040	H	93.3	Very high	92.6	Very high	46 Å²	46	59.2 Å²	59.2	21%	0.213	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	156.6	175	175.6	97.1	0	0	0	112.2	K1024 I1025 F1042 Q1077	K1024-H1040 WeakPolarHBondContact CA-O 3.43Å; I1025-H1040 HydrophobicContact CG2-CB 3.62Å; I1025-H1040 PolarHBondContact N-O 3.22Å; I1025-H1040 VanDerWaalsContact N-O 3.13Å; I1025-H1040 PolarHBondContact O-N 3.29Å; H1040-F1042 AromaticContact CD2-CD1 3.81Å; H1040-F1042 AromaticContact CD2-CE1 3.97Å; H1040-F1042 AromaticContact CD2-CG 3.82Å; H1040-F1042 WeakPolarHBondContact NE2-CA 3.41Å; H1040-F1042 AromaticContact NE2-CD1 3.66Å; H1040-F1042 AromaticContact NE2-CG 3.92Å; H1040-Q1077 PolarHBondContact CE1-O 3.38Å; H1040-Q1077 VanDerWaalsContact CG-OE1 3.26Å; H1040-Q1077 PolarHBondContact ND1-OE1 2.92Å; H1040-Q1077 PolarHBondContact NE2-O 3.16Å
1041	N	95.8	Very high	93.4	Very high	40 Å²	40	54 Å²	54	21%	0.214	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	109	177.5	178.6	77.4	0	0	0	110.2	Y1022 K1024 E1043	Y1022-N1041 WeakPolarHBondContact CD1-ND2 3.39Å; Y1022-N1041 VanDerWaalsContact CD1-OD1 3.32Å; Y1022-N1041 WeakPolarHBondContact CD1-OD1 3.38Å; Y1022-N1041 VanDerWaalsContact CE1-ND2 3.29Å; Y1022-N1041 WeakPolarHBondContact CE1-ND2 3.42Å; K1024-N1041 HydrophobicContact CG-CB 4.48Å; K1024-N1041 PolarHBondContact NZ-OD1 3.3Å; N1041-E1043 PolarHBondContact ND2-OE1 3.05Å; N1041-E1043 PolarHBondContact O-N 3.24Å
1042	F	95.6	Very high	94.4	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	126.4	-170.7	-75.7	-77	0	0	0	112.8	V1023 I1025 H1040 L1060 W1072 L1074 Q1077	V1023-F1042 HydrophobicContact CB-CB 4.29Å; V1023-F1042 HydrophobicContact CB-CD2 4.1Å; V1023-F1042 HydrophobicContact CG1-CD2 3.91Å; V1023-F1042 HydrophobicContact CG1-CE2 4.47Å; V1023-F1042 PolarHBondContact O-N 2.98Å; I1025-F1042 HydrophobicContact CB-CE2 4.13Å; I1025-F1042 HydrophobicContact CG2-CE2 3.93Å; I1025-F1042 HydrophobicContact CG2-CZ 4.34Å; H1040-F1042 AromaticContact CD2-CD1 3.81Å; H1040-F1042 AromaticContact CD2-CE1 3.97Å; H1040-F1042 AromaticContact CD2-CG 3.82Å; H1040-F1042 WeakPolarHBondContact NE2-CA 3.41Å; H1040-F1042 AromaticContact NE2-CD1 3.66Å; H1040-F1042 AromaticContact NE2-CG 3.92Å; F1042-L1060 HydrophobicContact CE2-CD2 4.2Å; F1042-L1060 HydrophobicContact CZ-CD2 4.48Å; F1042-W1072 HydrophobicContact CB-CD2 4.31Å; F1042-W1072 HydrophobicContact CB-CE3 3.92Å; F1042-W1072 HydrophobicContact CB-CH2 3.8Å; F1042-W1072 HydrophobicContact CB-CZ2 4.21Å; F1042-W1072 HydrophobicContact CB-CZ3 3.66Å; F1042-W1072 HydrophobicContact CD1-CB 4.26Å; F1042-W1072 AromaticContact CD1-CD2 3.97Å; F1042-W1072 HydrophobicContact CD1-CD2 3.97Å; F1042-W1072 AromaticContact CD1-CE3 3.58Å; F1042-W1072 HydrophobicContact CD1-CE3 3.58Å; F1042-W1072 HydrophobicContact CD1-CG 4.3Å; F1042-W1072 HydrophobicContact CD1-CZ3 4.12Å; F1042-W1072 HydrophobicContact CE1-CB 4.07Å; F1042-W1072 HydrophobicContact CE1-CE3 4.46Å; F1042-W1072 HydrophobicContact CG-CD2 4.26Å; F1042-W1072 HydrophobicContact CG-CE3 4.06Å; F1042-W1072 HydrophobicContact CG-CZ3 4.31Å; F1042-L1074 HydrophobicContact CE1-CD2 4.48Å; F1042-L1074 HydrophobicContact CE2-CD2 4.3Å; F1042-L1074 HydrophobicContact CZ-CD2 3.62Å; F1042-Q1077 HydrophobicContact CE1-CB 4.45Å
1043	E	92.4	Very high	95	Very high	119 Å²	119	50.5 Å²	50.5	56%	0.556	29%	0.287	S	S	*	.	S	Bend	trans	-126.5	149.7	-179.7	-67.7	-161	178	0	0	113.2	Y1022 N1041	Y1022-E1043 HydrophobicContact CE1-CG 4.16Å; N1041-E1043 PolarHBondContact ND2-OE1 3.05Å; N1041-E1043 PolarHBondContact O-N 3.24Å
1044	P	96.2	Very high	95.4	Very high	69 Å²	69	44.7 Å²	44.7	45%	0.448	26%	0.258	S	S	.	.	S	Bend	cis	-72.9	147.5	-6	29.6	-36	0	0	0	112.5	K1070 W1072 L1079	P1044-K1070 PolarHBondContact O-NZ 2.99Å; P1044-W1072 WeakPolarHBondContact O-CH2 3.43Å; P1044-L1079 HydrophobicContact CG-CD2 4.02Å
1045	P	96.8	Very high	95.5	Very high	37 Å²	37	44.2 Å²	44.2	24%	0.24	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.9	171.8	178.9	27.1	-36.5	0	0	0	113.3	H1021 Y1022 K1070	H1021-P1045 HydrophobicContact CB-CB 4.46Å; H1021-P1045 WeakPolarHBondContact O-CB 3.48Å; Y1022-P1045 HydrophobicContact CD1-CB 3.88Å; Y1022-P1045 HydrophobicContact CD1-CG 4.42Å; Y1022-P1045 HydrophobicContact CD2-CB 4.32Å; Y1022-P1045 HydrophobicContact CE1-CB 3.81Å; Y1022-P1045 HydrophobicContact CE1-CG 3.84Å; Y1022-P1045 HydrophobicContact CE2-CB 4.23Å; Y1022-P1045 HydrophobicContact CE2-CG 4.32Å; Y1022-P1045 HydrophobicContact CG-CB 4.15Å; P1045-K1070 PolarHBondContact O-NZ 2.69Å
1046	H	97.8	Very high	95.3	Very high	5 Å²	5	44.6 Å²	44.6	2%	0.023	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-71.8	168.5	164.9	-83.6	-92.8	0	0	0	111.2	H1021 D1048 I1050 S1062 S1064 D1066	H1021-H1046 HydrophobicContact CB-CB 4.47Å; H1021-H1046 VanDerWaalsContact CB-O 3.26Å; H1021-H1046 WeakPolarHBondContact CB-O 3.5Å; H1021-H1046 PolarHBondContact O-N 3.1Å; H1021-H1046 VanDerWaalsContact O-N 3.07Å; H1046-D1048 WeakPolarHBondContact CB-O 3.32Å; H1046-I1050 HydrophobicContact CB-CD1 3.72Å; H1046-I1050 WeakPolarHBondContact CD2-CD1 3.39Å; H1046-S1062 PolarHBondContact NE2-OG 3.27Å; H1046-S1064 WeakPolarHBondContact ND1-CB 3.38Å; H1046-D1066 WeakPolarHBondContact CB-OD2 3.38Å; H1046-D1066 IonicContact CE1-OD1 3.61Å; H1046-D1066 IonicContact CG-OD2 2.7Å; H1046-D1066 VanDerWaalsContact ND1-CG 3.35Å; H1046-D1066 IonicContact ND1-OD1 3.86Å; H1046-D1066 PolarHBondContact ND1-OD1 2.99Å; H1046-D1066 IonicContact ND1-OD2 3.6Å; H1046-D1066 PolarHBondContact ND1-OD2 3.5Å
1047	Y	96.7	Very high	94.8	Very high	177 Å²	177	46.6 Å²	46.6	69%	0.694	27%	0.272	S	S	*	.	S	Bend	trans	-86.7	-11	179	-61.2	-72.1	0	0	0	114.1	H1021 D1066	H1021-Y1047 PolarHBondContact CE1-O 3.41Å; H1021-Y1047 PolarHBondContact ND1-O 3.26Å; Y1047-D1066 HydrophobicContact CD2-CB 4.41Å; Y1047-D1066 PolarHBondContact N-OD2 3.31Å
1048	D	97.9	Very high	94.6	Very high	56 Å²	56	47.3 Å²	47.3	30%	0.299	27%	0.266	S	S	.	.	S	Bend	trans	-151.9	171.4	176.9	-166.6	-14.7	0	0	0	108	H1021 H1046 S1064 R1065 D1066	H1021-D1048 VanDerWaalsContact CD2-CA 3.49Å; H1021-D1048 WeakPolarHBondContact CD2-CA 3.49Å; H1046-D1048 WeakPolarHBondContact CB-O 3.32Å; D1048-S1064 PolarHBondContact O-OG 2.88Å; D1048-R1065 HydrophobicContact CB-CB 3.8Å; D1048-R1065 VanDerWaalsContact OD2-CB 3.23Å; D1048-R1065 WeakPolarHBondContact OD2-CB 3.45Å; D1048-D1066 HydrophobicContact CB-CB 4.34Å
1049	G	97.1	Very high	94.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.			trans	-54.3	144.7	-172.1	0	0	0	0	0	114.8	S1018 H1021 S1064 R1065	S1018-G1049 WeakPolarHBondContact O-CA 3.49Å; H1021-G1049 PolarHBondContact CD2-N 3.06Å; H1021-G1049 VanDerWaalsContact CD2-N 3.28Å; G1049-S1064 WeakPolarHBondContact O-CA 3.41Å; G1049-S1064 PolarHBondContact O-OG 3.07Å; G1049-S1064 VanDerWaalsContact O-OG 3.11Å; G1049-R1065 PolarHBondContact O-N 2.9Å; G1049-R1065 VanDerWaalsContact O-N 3.1Å
1050	I	98.4	Very high	94.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	129.7	176.5	-44.2	-53.4	0	0	0	109	M1000 S1018 H1021 Y1022 V1023 H1046 L1053	M1000-I1050 VanDerWaalsContact CB-O 3.3Å; M1000-I1050 WeakPolarHBondContact CB-O 3.39Å; S1018-I1050 PolarHBondContact O-N 2.96Å; H1021-I1050 WeakPolarHBondContact O-CD1 3.45Å; Y1022-I1050 WeakPolarHBondContact O-CG1 3.39Å; V1023-I1050 HydrophobicContact CG2-CD1 4.02Å; V1023-I1050 HydrophobicContact CG2-CG1 3.91Å; V1023-I1050 HydrophobicContact CG2-CG2 4.38Å; H1046-I1050 HydrophobicContact CB-CD1 3.72Å; H1046-I1050 WeakPolarHBondContact CD2-CD1 3.39Å; I1050-L1053 HydrophobicContact CG2-CD2 4.16Å; I1050-L1053 HydrophobicContact CG2-CG 4.33Å
1051	E	97.7	Very high	94.8	Very high	43 Å²	43	41.5 Å²	41.5	20%	0.201	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-29.1	178.7	-69.8	-86.2	115.7	0	0	112.2	C1001 G1063 R1065	C1001-E1051 WeakPolarHBondContact CB-O 3.32Å; E1051-G1063 PolarHBondContact N-O 2.92Å; E1051-R1065 HydrophobicContact CG-CG 3.61Å; E1051-R1065 IonicContact OE1-CZ 3.41Å; E1051-R1065 IonicContact OE1-NE 3.52Å; E1051-R1065 PolarHBondContact OE1-NE 3.46Å; E1051-R1065 IonicContact OE1-NH2 2.68Å; E1051-R1065 PolarHBondContact OE1-NH2 2.74Å
1052	C	97.1	Very high	94.9	Very high	11 Å²	11	39.6 Å²	39.6	7%	0.074	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	154.8	-179.1	61.3	0	0	0	0	114.2	G1063 V1091 A1093 L1094	C1052-G1063 PolarHBondContact N-O 2.83Å; C1052-G1063 PolarHBondContact O-N 3.09Å; C1052-V1091 PolarHBondContact SG-O 3.31Å; C1052-A1093 VanDerWaalsContact SG-C 3.52Å; C1052-A1093 VanDerWaalsContact SG-CA 3.52Å; C1052-A1093 PolarHBondContact SG-N 3.43Å; C1052-L1094 VanDerWaalsContact SG-CG 3.56Å
1053	L	97.8	Very high	95	Very high	18 Å²	18	39.6 Å²	39.6	9%	0.094	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.7	179.1	-66.6	168.2	0	0	0	109.6	T1003 I1015 V1023 I1050 L1060 F1061	T1003-L1053 HydrophobicContact CG2-CB 3.93Å; I1015-L1053 HydrophobicContact CG2-CD1 4.06Å; I1015-L1053 WeakPolarHBondContact O-CD1 2.74Å; V1023-L1053 HydrophobicContact CG1-CD2 3.95Å; V1023-L1053 HydrophobicContact CG2-CD2 4.09Å; I1050-L1053 HydrophobicContact CG2-CD2 4.16Å; I1050-L1053 HydrophobicContact CG2-CG 4.33Å; L1053-L1060 HydrophobicContact CB-CD1 4.46Å; L1053-L1060 HydrophobicContact CD2-CD1 4.21Å; L1053-F1061 CarbonylContact C-O 3.57Å; L1053-F1061 WeakPolarHBondContact CA-O 3.45Å
1054	A	95.1	Very high	95.3	Very high	9 Å²	9	33.9 Å²	33.9	7%	0.074	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	124.3	172	0	0	0	0	0	110.7	F1061 L1094 Y1096	A1054-F1061 PolarHBondContact N-O 2.79Å; A1054-F1061 PolarHBondContact O-N 3.49Å; A1054-L1094 HydrophobicContact CB-CB 3.73Å; A1054-Y1096 HydrophobicContact CB-CD2 4.28Å; A1054-Y1096 HydrophobicContact CB-CE2 4.04Å
1055	V	92.5	Very high	95.4	Very high	31 Å²	31	32.7 Å²	32.7	19%	0.188	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142	-179.2	63.8	0	0	0	0	111.1	T1003 I1015 V1059 L1060 L1074	T1003-V1055 HydrophobicContact CG2-CB 4.22Å; T1003-V1055 HydrophobicContact CG2-CG1 3.81Å; I1015-V1055 HydrophobicContact CD1-CB 4.34Å; I1015-V1055 HydrophobicContact CD1-CG2 4.17Å; V1055-V1059 WeakPolarHBondContact CA-O 3.47Å; V1055-L1060 HydrophobicContact CB-CD1 4.25Å; V1055-L1074 HydrophobicContact CG2-CD1 3.71Å
1056	Q	87.1	Confident	95.4	Very high	102 Å²	102	32 Å²	32	48%	0.477	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	112.5	169.9	-179.2	174.8	58.2	0	0	109.6	D1058 V1059 Y1096	Q1056-D1058 PolarHBondContact O-N 2.81Å; Q1056-V1059 PolarHBondContact N-O 3.15Å; Q1056-V1059 PolarHBondContact O-N 3.13Å; Q1056-Y1096 HydrophobicContact CB-CD1 4.1Å; Q1056-Y1096 HydrophobicContact CB-CD2 3.84Å; Q1056-Y1096 HydrophobicContact CB-CE1 3.7Å; Q1056-Y1096 HydrophobicContact CB-CE2 3.43Å; Q1056-Y1096 VanDerWaalsContact CB-CE2 3.43Å; Q1056-Y1096 HydrophobicContact CB-CG 4.14Å; Q1056-Y1096 HydrophobicContact CG-CE1 4.47Å
1057	G	85.5	Confident	95.4	Very high	67 Å²	67	33.4 Å²	33.4	69%	0.691	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	-135.2	-167.6	0	0	0	0	0	109.9	V1059	G1057-V1059 VanDerWaalsContact C-N 3.26Å; G1057-V1059 PolarHBondContact O-N 3.13Å
1058	D	88.1	Confident	95.4	Very high	56 Å²	56	25 Å²	25	30%	0.299	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.1	-179.9	-154.4	69.4	0	0	0	114.8	Q1056 E1073 L1074 E1075	Q1056-D1058 PolarHBondContact O-N 2.81Å; D1058-E1073 WeakPolarHBondContact OD2-CG 3.38Å; D1058-L1074 WeakPolarHBondContact O-CB 3.4Å; D1058-L1074 VanDerWaalsContact O-CG 3.32Å; D1058-L1074 WeakPolarHBondContact O-CG 3.43Å; D1058-L1074 PolarHBondContact O-N 2.87Å; D1058-L1074 WeakPolarHBondContact OD1-CB 3.5Å; D1058-L1074 PolarHBondContact OD2-N 3.42Å; D1058-E1075 VanDerWaalsContact CG-N 3.27Å; D1058-E1075 WeakPolarHBondContact OD1-CB 3.5Å; D1058-E1075 PolarHBondContact OD1-N 2.86Å; D1058-E1075 WeakPolarHBondContact OD2-CB 3.45Å; D1058-E1075 PolarHBondContact OD2-N 3.3Å
1059	V	92.4	Very high	95.4	Very high	31 Å²	31	22.4 Å²	22.4	19%	0.188	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.4	-176.4	-177.6	0	0	0	0	111.5	V1055 Q1056 G1057 F1061 K1071 Y1096	V1055-V1059 WeakPolarHBondContact CA-O 3.47Å; Q1056-V1059 PolarHBondContact N-O 3.15Å; Q1056-V1059 PolarHBondContact O-N 3.13Å; G1057-V1059 VanDerWaalsContact C-N 3.26Å; G1057-V1059 PolarHBondContact O-N 3.13Å; V1059-F1061 HydrophobicContact CG1-CD2 4.09Å; V1059-F1061 HydrophobicContact CG1-CE2 3.54Å; V1059-F1061 HydrophobicContact CG1-CZ 3.92Å; V1059-K1071 HydrophobicContact CG1-CD 4.26Å; V1059-K1071 HydrophobicContact CG1-CG 3.93Å; V1059-Y1096 PolarHBondContact O-OH 2.88Å
1060	L	95.4	Very high	95.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.4	172.2	172.8	69	0	0	0	110.8	T1003 I1015 V1023 F1042 L1053 V1055 K1071 W1072 L1074	T1003-L1060 HydrophobicContact CG2-CD1 4.48Å; I1015-L1060 HydrophobicContact CD1-CD1 4.05Å; I1015-L1060 HydrophobicContact CD1-CD2 4.3Å; I1015-L1060 HydrophobicContact CG2-CD1 3.98Å; I1015-L1060 HydrophobicContact CG2-CD2 3.6Å; I1015-L1060 HydrophobicContact CG2-CG 4.44Å; V1023-L1060 HydrophobicContact CG1-CD2 4.08Å; F1042-L1060 HydrophobicContact CE2-CD2 4.2Å; F1042-L1060 HydrophobicContact CZ-CD2 4.48Å; L1053-L1060 HydrophobicContact CB-CD1 4.46Å; L1053-L1060 HydrophobicContact CD2-CD1 4.21Å; V1055-L1060 HydrophobicContact CB-CD1 4.25Å; L1060-K1071 WeakPolarHBondContact O-CA 3.49Å; L1060-W1072 HydrophobicContact CB-CB 4.26Å; L1060-W1072 HydrophobicContact CD2-CB 4.42Å; L1060-W1072 HydrophobicContact CD2-CG 4.34Å; L1060-W1072 PolarHBondContact N-O 2.97Å; L1060-W1072 VanDerWaalsContact N-O 3.08Å; L1060-W1072 PolarHBondContact O-N 2.91Å; L1060-L1074 HydrophobicContact CB-CD1 4.44Å; L1060-L1074 HydrophobicContact CB-CD2 3.84Å; L1060-L1074 HydrophobicContact CB-CG 4.18Å; L1060-L1074 HydrophobicContact CD2-CD2 4.06Å
1061	F	97.3	Very high	95.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.5	164.9	-65.2	-87.2	0	0	0	111.2	L1053 A1054 V1059 I1069 K1070 K1071 L1094 Y1096 L1103 V1117 F1120	L1053-F1061 CarbonylContact C-O 3.57Å; L1053-F1061 WeakPolarHBondContact CA-O 3.45Å; A1054-F1061 PolarHBondContact N-O 2.79Å; A1054-F1061 PolarHBondContact O-N 3.49Å; V1059-F1061 HydrophobicContact CG1-CD2 4.09Å; V1059-F1061 HydrophobicContact CG1-CE2 3.54Å; V1059-F1061 HydrophobicContact CG1-CZ 3.92Å; F1061-I1069 HydrophobicContact CD1-CG2 4.5Å; F1061-K1070 VanDerWaalsContact CA-O 3.25Å; F1061-K1070 WeakPolarHBondContact CA-O 3.34Å; F1061-K1071 HydrophobicContact CD1-CB 3.76Å; F1061-K1071 HydrophobicContact CD1-CG 4.12Å; F1061-K1071 HydrophobicContact CE1-CB 3.52Å; F1061-K1071 HydrophobicContact CE1-CD 3.88Å; F1061-K1071 HydrophobicContact CE1-CG 3.59Å; F1061-K1071 HydrophobicContact CZ-CB 4.36Å; F1061-K1071 HydrophobicContact CZ-CD 3.95Å; F1061-K1071 HydrophobicContact CZ-CG 3.92Å; F1061-L1094 HydrophobicContact CB-CD1 4.08Å; F1061-Y1096 HydrophobicContact CD2-CE1 4.21Å; F1061-Y1096 HydrophobicContact CD2-CE2 4.37Å; F1061-Y1096 AromaticContact CD2-CZ 3.68Å; F1061-Y1096 WeakPolarHBondContact CD2-OH 3.47Å; F1061-Y1096 AromaticContact CE2-CE1 3.83Å; F1061-Y1096 HydrophobicContact CE2-CE1 3.83Å; F1061-Y1096 AromaticContact CE2-CZ 3.71Å; F1061-Y1096 WeakPolarHBondContact CE2-OH 3.44Å; F1061-L1103 HydrophobicContact CB-CD1 4.23Å; F1061-L1103 HydrophobicContact CB-CD2 4Å; F1061-L1103 HydrophobicContact CD1-CD2 3.45Å; F1061-L1103 VanDerWaalsContact CD1-CD2 3.45Å; F1061-L1103 HydrophobicContact CD2-CD1 3.71Å; F1061-L1103 HydrophobicContact CD2-CD2 3.89Å; F1061-L1103 HydrophobicContact CD2-CG 4.33Å; F1061-L1103 HydrophobicContact CE1-CD2 3.75Å; F1061-L1103 HydrophobicContact CE2-CD1 4.2Å; F1061-L1103 HydrophobicContact CE2-CD2 4.18Å; F1061-L1103 HydrophobicContact CG-CD1 4Å; F1061-L1103 HydrophobicContact CG-CD2 3.51Å; F1061-L1103 HydrophobicContact CG-CG 4.37Å; F1061-L1103 HydrophobicContact CZ-CD2 4.11Å; F1061-V1117 HydrophobicContact CE2-CG1 4.12Å; F1061-V1117 HydrophobicContact CE2-CG2 4.23Å; F1061-V1117 HydrophobicContact CZ-CB 4.47Å; F1061-V1117 HydrophobicContact CZ-CG1 4.16Å; F1061-V1117 HydrophobicContact CZ-CG2 4.35Å; F1061-F1120 HydrophobicContact CD1-CE1 4.43Å; F1061-F1120 AromaticContact CD1-CE2 3.85Å; F1061-F1120 HydrophobicContact CD1-CE2 3.85Å; F1061-F1120 AromaticContact CD1-CZ 3.72Å; F1061-F1120 HydrophobicContact CD1-CZ 3.72Å; F1061-F1120 AromaticContact CE1-CD2 3.92Å; F1061-F1120 HydrophobicContact CE1-CD2 3.92Å; F1061-F1120 HydrophobicContact CE1-CE1 4.26Å; F1061-F1120 AromaticContact CE1-CE2 3.55Å; F1061-F1120 HydrophobicContact CE1-CE2 3.55Å; F1061-F1120 HydrophobicContact CE1-CG 4.43Å; F1061-F1120 AromaticContact CE1-CZ 3.73Å; F1061-F1120 HydrophobicContact CE1-CZ 3.73Å
1062	S	98.1	Very high	95.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.9	174.2	61.2	0	0	0	0	111.9	H1046 I1069 K1070 W1072	H1046-S1062 PolarHBondContact NE2-OG 3.27Å; S1062-I1069 VanDerWaalsContact O-CA 3.27Å; S1062-I1069 WeakPolarHBondContact O-CA 3.49Å; S1062-I1069 VanDerWaalsContact O-CG2 3.28Å; S1062-I1069 WeakPolarHBondContact O-CG2 3.42Å; S1062-K1070 PolarHBondContact N-O 3.09Å; S1062-K1070 PolarHBondContact O-N 2.98Å; S1062-W1072 PolarHBondContact OG-NE1 2.94Å
1063	G	98.1	Very high	95	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.7	177.2	0	0	0	0	0	111.3	E1051 C1052	E1051-G1063 PolarHBondContact N-O 2.92Å; C1052-G1063 PolarHBondContact N-O 2.83Å; C1052-G1063 PolarHBondContact O-N 3.09Å
1064	S	98.3	Very high	94.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	166.1	-170.5	164	0	0	0	0	112.4	H1046 D1048 G1049 D1066 N1067 G1068 V1091	H1046-S1064 WeakPolarHBondContact ND1-CB 3.38Å; D1048-S1064 PolarHBondContact O-OG 2.88Å; G1049-S1064 WeakPolarHBondContact O-CA 3.41Å; G1049-S1064 PolarHBondContact O-OG 3.07Å; G1049-S1064 VanDerWaalsContact O-OG 3.11Å; S1064-D1066 WeakPolarHBondContact CB-OD1 3.32Å; S1064-D1066 PolarHBondContact O-N 3.22Å; S1064-D1066 PolarHBondContact OG-N 3.06Å; S1064-D1066 PolarHBondContact OG-OD1 3.25Å; S1064-N1067 PolarHBondContact O-N 3.43Å; S1064-G1068 PolarHBondContact N-O 2.78Å; S1064-V1091 PolarHBondContact O-N 2.86Å
1065	R	98.1	Very high	94.3	Very high	43 Å²	43	30.1 Å²	30.1	16%	0.162	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.4	165.4	-59.7	-179.6	-172.5	169.4	3.9	113.6	D1048 G1049 E1051 N1067 W1090	D1048-R1065 HydrophobicContact CB-CB 3.8Å; D1048-R1065 VanDerWaalsContact OD2-CB 3.23Å; D1048-R1065 WeakPolarHBondContact OD2-CB 3.45Å; G1049-R1065 PolarHBondContact O-N 2.9Å; G1049-R1065 VanDerWaalsContact O-N 3.1Å; E1051-R1065 HydrophobicContact CG-CG 3.61Å; E1051-R1065 IonicContact OE1-CZ 3.41Å; E1051-R1065 IonicContact OE1-NE 3.52Å; E1051-R1065 PolarHBondContact OE1-NE 3.46Å; E1051-R1065 IonicContact OE1-NH2 2.68Å; E1051-R1065 PolarHBondContact OE1-NH2 2.74Å; R1065-N1067 PolarHBondContact O-N 3.47Å; R1065-N1067 PolarHBondContact O-OD1 3.49Å; R1065-W1090 HydrophobicContact CB-CD2 4.01Å; R1065-W1090 HydrophobicContact CB-CG 3.91Å; R1065-W1090 HydrophobicContact CG-CB 4.42Å; R1065-W1090 HydrophobicContact CG-CD2 3.7Å; R1065-W1090 HydrophobicContact CG-CE3 3.86Å; R1065-W1090 HydrophobicContact CG-CG 3.94Å; R1065-W1090 HydrophobicContact CG-CZ3 4.37Å
1066	D	96.8	Very high	94	Very high	24 Å²	24	34.3 Å²	34.3	13%	0.128	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	4.6	170	75.7	7.9	0	0	0	114.3	H1046 Y1047 D1048 S1064 G1068	H1046-D1066 WeakPolarHBondContact CB-OD2 3.38Å; H1046-D1066 IonicContact CE1-OD1 3.61Å; H1046-D1066 IonicContact CG-OD2 2.7Å; H1046-D1066 VanDerWaalsContact ND1-CG 3.35Å; H1046-D1066 IonicContact ND1-OD1 3.86Å; H1046-D1066 PolarHBondContact ND1-OD1 2.99Å; H1046-D1066 IonicContact ND1-OD2 3.6Å; H1046-D1066 PolarHBondContact ND1-OD2 3.5Å; Y1047-D1066 HydrophobicContact CD2-CB 4.41Å; Y1047-D1066 PolarHBondContact N-OD2 3.31Å; D1048-D1066 HydrophobicContact CB-CB 4.34Å; S1064-D1066 WeakPolarHBondContact CB-OD1 3.32Å; S1064-D1066 PolarHBondContact O-N 3.22Å; S1064-D1066 PolarHBondContact OG-N 3.06Å; S1064-D1066 PolarHBondContact OG-OD1 3.25Å; D1066-G1068 PolarHBondContact O-N 2.96Å; D1066-G1068 VanDerWaalsContact O-N 3.11Å; D1066-G1068 VanDerWaalsContact OD1-CA 3.28Å; D1066-G1068 WeakPolarHBondContact OD1-CA 3.44Å; D1066-G1068 PolarHBondContact OD1-N 3.5Å
1067	N	97.5	Very high	94.1	Very high	34 Å²	34	32.8 Å²	32.8	18%	0.182	18%	0.175	C	C	.	.	S	Bend	trans	64.1	5	-177.8	-40	-62.4	0	0	0	113.8	S1064 R1065 N1085 A1086 H1087 D1089 W1090	S1064-N1067 PolarHBondContact O-N 3.43Å; R1065-N1067 PolarHBondContact O-N 3.47Å; R1065-N1067 PolarHBondContact O-OD1 3.49Å; N1067-N1085 CarbonylContact O-C 3.59Å; N1067-N1085 WeakPolarHBondContact O-CA 3.38Å; N1067-A1086 PolarHBondContact O-N 2.99Å; N1067-H1087 WeakPolarHBondContact CB-O 3.34Å; N1067-H1087 PolarHBondContact O-N 3.34Å; N1067-D1089 WeakPolarHBondContact OD1-CA 3.37Å; N1067-D1089 PolarHBondContact OD1-N 2.87Å; N1067-D1089 PolarHBondContact OD1-O 2.95Å; N1067-W1090 PolarHBondContact OD1-N 3.43Å; N1067-W1090 VanDerWaalsContact OD1-N 3.13Å
1068	G	96.4	Very high	94.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	17%	0.171	C	C	.	.			trans	-95.9	168.3	-179.8	0	0	0	0	0	113.8	S1064 D1066 I1083 V1091	S1064-G1068 PolarHBondContact N-O 2.78Å; D1066-G1068 PolarHBondContact O-N 2.96Å; D1066-G1068 VanDerWaalsContact O-N 3.11Å; D1066-G1068 VanDerWaalsContact OD1-CA 3.28Å; D1066-G1068 WeakPolarHBondContact OD1-CA 3.44Å; D1066-G1068 PolarHBondContact OD1-N 3.5Å; G1068-I1083 WeakPolarHBondContact CA-O 3.33Å; G1068-V1091 WeakPolarHBondContact O-CG2 3.48Å
1069	I	97.9	Very high	94.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.5	172.2	-47.7	168.5	0	0	0	108	F1061 S1062 I1083 A1086 V1091 L1094 L1103 S1105 W1115 F1120	F1061-I1069 HydrophobicContact CD1-CG2 4.5Å; S1062-I1069 VanDerWaalsContact O-CA 3.27Å; S1062-I1069 WeakPolarHBondContact O-CA 3.49Å; S1062-I1069 VanDerWaalsContact O-CG2 3.28Å; S1062-I1069 WeakPolarHBondContact O-CG2 3.42Å; I1069-I1083 PolarHBondContact N-O 3.45Å; I1069-I1083 VanDerWaalsContact N-O 3.08Å; I1069-I1083 PolarHBondContact O-N 3.11Å; I1069-A1086 HydrophobicContact CB-CB 4.36Å; I1069-A1086 HydrophobicContact CD1-CB 3.69Å; I1069-A1086 HydrophobicContact CG1-CB 3.66Å; I1069-V1091 HydrophobicContact CD1-CG1 4.28Å; I1069-V1091 HydrophobicContact CG1-CG1 4.08Å; I1069-V1091 HydrophobicContact CG1-CG2 4.08Å; I1069-L1094 HydrophobicContact CD1-CD2 4.36Å; I1069-L1094 HydrophobicContact CG2-CD1 4.29Å; I1069-L1094 HydrophobicContact CG2-CD2 4.12Å; I1069-L1103 HydrophobicContact CG2-CD2 4.48Å; I1069-S1105 VanDerWaalsContact CD1-CB 3.49Å; I1069-S1105 WeakPolarHBondContact CD1-OG 3.39Å; I1069-W1115 HydrophobicContact CD1-CZ2 4.04Å; I1069-F1120 HydrophobicContact CB-CZ 3.91Å; I1069-F1120 HydrophobicContact CG2-CE2 4.31Å; I1069-F1120 HydrophobicContact CG2-CZ 3.69Å
1070	K	97.6	Very high	94.8	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.026	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150.6	174.1	-65.2	-171.8	-173.5	-157.6	0	110.6	P1044 P1045 F1061 S1062 W1072 L1079 Q1082	P1044-K1070 PolarHBondContact O-NZ 2.99Å; P1045-K1070 PolarHBondContact O-NZ 2.69Å; F1061-K1070 VanDerWaalsContact CA-O 3.25Å; F1061-K1070 WeakPolarHBondContact CA-O 3.34Å; S1062-K1070 PolarHBondContact N-O 3.09Å; S1062-K1070 PolarHBondContact O-N 2.98Å; K1070-W1072 HydrophobicContact CB-CZ2 3.88Å; K1070-W1072 HydrophobicContact CD-CH2 3.85Å; K1070-W1072 HydrophobicContact CD-CZ2 3.49Å; K1070-W1072 VanDerWaalsContact CD-CZ2 3.49Å; K1070-W1072 HydrophobicContact CG-CZ2 4.3Å; K1070-L1079 HydrophobicContact CB-CD1 3.73Å; K1070-L1079 HydrophobicContact CD-CD1 3.88Å; K1070-L1079 HydrophobicContact CD-CD2 4.39Å; K1070-L1079 HydrophobicContact CG-CD1 4.04Å; K1070-Q1082 HydrophobicContact CG-CB 3.86Å
1071	K	96.7	Very high	94.7	Very high	17 Å²	17	39.1 Å²	39.1	7%	0.074	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.3	173.6	179	-176.5	167.1	173.7	0	108	V1059 L1060 F1061 L1079 T1080 Q1081 V1117 E1118 F1120	V1059-K1071 HydrophobicContact CG1-CD 4.26Å; V1059-K1071 HydrophobicContact CG1-CG 3.93Å; L1060-K1071 WeakPolarHBondContact O-CA 3.49Å; F1061-K1071 HydrophobicContact CD1-CB 3.76Å; F1061-K1071 HydrophobicContact CD1-CG 4.12Å; F1061-K1071 HydrophobicContact CE1-CB 3.52Å; F1061-K1071 HydrophobicContact CE1-CD 3.88Å; F1061-K1071 HydrophobicContact CE1-CG 3.59Å; F1061-K1071 HydrophobicContact CZ-CB 4.36Å; F1061-K1071 HydrophobicContact CZ-CD 3.95Å; F1061-K1071 HydrophobicContact CZ-CG 3.92Å; K1071-L1079 WeakPolarHBondContact O-CD1 3.5Å; K1071-T1080 PolarHBondContact O-N 3.44Å; K1071-Q1081 HydrophobicContact CB-CB 4.22Å; K1071-Q1081 PolarHBondContact N-O 3.3Å; K1071-Q1081 PolarHBondContact O-N 3.42Å; K1071-V1117 PolarHBondContact NZ-O 3.13Å; K1071-E1118 PolarHBondContact NZ-O 3.5Å; K1071-F1120 HydrophobicContact CB-CD1 4.1Å; K1071-F1120 HydrophobicContact CB-CE1 3.86Å; K1071-F1120 HydrophobicContact CB-CZ 4.43Å
1072	W	95.6	Very high	94.6	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	155.1	-178.5	-41.7	87.7	0	0	0	110.3	F1042 P1044 L1060 S1062 K1070 E1078 L1079	F1042-W1072 HydrophobicContact CB-CD2 4.31Å; F1042-W1072 HydrophobicContact CB-CE3 3.92Å; F1042-W1072 HydrophobicContact CB-CH2 3.8Å; F1042-W1072 HydrophobicContact CB-CZ2 4.21Å; F1042-W1072 HydrophobicContact CB-CZ3 3.66Å; F1042-W1072 HydrophobicContact CD1-CB 4.26Å; F1042-W1072 AromaticContact CD1-CD2 3.97Å; F1042-W1072 HydrophobicContact CD1-CD2 3.97Å; F1042-W1072 AromaticContact CD1-CE3 3.58Å; F1042-W1072 HydrophobicContact CD1-CE3 3.58Å; F1042-W1072 HydrophobicContact CD1-CG 4.3Å; F1042-W1072 HydrophobicContact CD1-CZ3 4.12Å; F1042-W1072 HydrophobicContact CE1-CB 4.07Å; F1042-W1072 HydrophobicContact CE1-CE3 4.46Å; F1042-W1072 HydrophobicContact CG-CD2 4.26Å; F1042-W1072 HydrophobicContact CG-CE3 4.06Å; F1042-W1072 HydrophobicContact CG-CZ3 4.31Å; P1044-W1072 WeakPolarHBondContact O-CH2 3.43Å; L1060-W1072 HydrophobicContact CB-CB 4.26Å; L1060-W1072 HydrophobicContact CD2-CB 4.42Å; L1060-W1072 HydrophobicContact CD2-CG 4.34Å; L1060-W1072 PolarHBondContact N-O 2.97Å; L1060-W1072 VanDerWaalsContact N-O 3.08Å; L1060-W1072 PolarHBondContact O-N 2.91Å; S1062-W1072 PolarHBondContact OG-NE1 2.94Å; K1070-W1072 HydrophobicContact CB-CZ2 3.88Å; K1070-W1072 HydrophobicContact CD-CH2 3.85Å; K1070-W1072 HydrophobicContact CD-CZ2 3.49Å; K1070-W1072 VanDerWaalsContact CD-CZ2 3.49Å; K1070-W1072 HydrophobicContact CG-CZ2 4.3Å; W1072-E1078 WeakPolarHBondContact CA-O 3.37Å; W1072-L1079 HydrophobicContact CD2-CD1 3.94Å; W1072-L1079 HydrophobicContact CE3-CB 3.74Å; W1072-L1079 HydrophobicContact CE3-CD1 3.71Å; W1072-L1079 HydrophobicContact CE3-CG 4.33Å; W1072-L1079 HydrophobicContact CH2-CD1 4.12Å; W1072-L1079 HydrophobicContact CZ2-CD1 4.3Å; W1072-L1079 HydrophobicContact CZ3-CB 3.68Å; W1072-L1079 HydrophobicContact CZ3-CD1 3.8Å; W1072-L1079 HydrophobicContact CZ3-CG 4.22Å
1073	E	92.9	Very high	94.6	Very high	55 Å²	55	45.2 Å²	45.2	26%	0.257	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.9	174.6	-153.5	153.2	153.8	0	0	107.5	D1058 Q1076 Q1077 E1078 T1080	D1058-E1073 WeakPolarHBondContact OD2-CG 3.38Å; E1073-Q1076 HydrophobicContact CB-CB 4.33Å; E1073-Q1076 VanDerWaalsContact CD-NE2 3.34Å; E1073-Q1076 HydrophobicContact CG-CB 4.39Å; E1073-Q1076 HydrophobicContact CG-CG 4.31Å; E1073-Q1076 PolarHBondContact OE1-NE2 3.21Å; E1073-Q1077 WeakPolarHBondContact O-CA 3.34Å; E1073-Q1077 PolarHBondContact O-N 3.24Å; E1073-E1078 PolarHBondContact N-O 3.38Å; E1073-E1078 PolarHBondContact O-N 2.9Å; E1073-T1080 PolarHBondContact OE2-OG1 3.08Å
1074	L	90.3	Very high	94.4	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.052	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-31.5	-170.1	-64.9	-179.7	0	0	0	112.6	I1015 I1025 F1042 V1055 D1058 L1060 Q1077	I1015-L1074 HydrophobicContact CD1-CD1 3.85Å; I1015-L1074 HydrophobicContact CD1-CD2 4.07Å; I1025-L1074 HydrophobicContact CD1-CD2 4.27Å; F1042-L1074 HydrophobicContact CE1-CD2 4.48Å; F1042-L1074 HydrophobicContact CE2-CD2 4.3Å; F1042-L1074 HydrophobicContact CZ-CD2 3.62Å; V1055-L1074 HydrophobicContact CG2-CD1 3.71Å; D1058-L1074 WeakPolarHBondContact O-CB 3.4Å; D1058-L1074 VanDerWaalsContact O-CG 3.32Å; D1058-L1074 WeakPolarHBondContact O-CG 3.43Å; D1058-L1074 PolarHBondContact O-N 2.87Å; D1058-L1074 WeakPolarHBondContact OD1-CB 3.5Å; D1058-L1074 PolarHBondContact OD2-N 3.42Å; L1060-L1074 HydrophobicContact CB-CD1 4.44Å; L1060-L1074 HydrophobicContact CB-CD2 3.84Å; L1060-L1074 HydrophobicContact CB-CG 4.18Å; L1060-L1074 HydrophobicContact CD2-CD2 4.06Å; L1074-Q1077 VanDerWaalsContact O-CG 3.32Å; L1074-Q1077 WeakPolarHBondContact O-CG 3.47Å
1075	E	86.9	Confident	94.1	Very high	154 Å²	154	54.1 Å²	54.1	72%	0.72	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-43.3	175	-178.8	169.2	-148.2	0	0	111	D1058	D1058-E1075 VanDerWaalsContact CG-N 3.27Å; D1058-E1075 WeakPolarHBondContact OD1-CB 3.5Å; D1058-E1075 PolarHBondContact OD1-N 2.86Å; D1058-E1075 WeakPolarHBondContact OD2-CB 3.45Å; D1058-E1075 PolarHBondContact OD2-N 3.3Å
1076	Q	86.3	Confident	93.9	Very high	118 Å²	118	52.2 Å²	52.2	55%	0.551	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-19.2	176.8	-57.7	-167.2	52.3	0	0	113.3	E1073 E1078	E1073-Q1076 HydrophobicContact CB-CB 4.33Å; E1073-Q1076 VanDerWaalsContact CD-NE2 3.34Å; E1073-Q1076 HydrophobicContact CG-CB 4.39Å; E1073-Q1076 HydrophobicContact CG-CG 4.31Å; E1073-Q1076 PolarHBondContact OE1-NE2 3.21Å; Q1076-E1078 PolarHBondContact O-N 3.48Å
1077	Q	89.7	Confident	93.9	Very high	70 Å²	70	51.2 Å²	51.2	33%	0.327	26%	0.257	S	S	.	.			trans	59.5	27.4	-175.9	-53.3	-177.3	-13.8	0	0	114.6	H1040 F1042 E1073 L1074	H1040-Q1077 PolarHBondContact CE1-O 3.38Å; H1040-Q1077 VanDerWaalsContact CG-OE1 3.26Å; H1040-Q1077 PolarHBondContact ND1-OE1 2.92Å; H1040-Q1077 PolarHBondContact NE2-O 3.16Å; F1042-Q1077 HydrophobicContact CE1-CB 4.45Å; E1073-Q1077 WeakPolarHBondContact O-CA 3.34Å; E1073-Q1077 PolarHBondContact O-N 3.24Å; L1074-Q1077 VanDerWaalsContact O-CG 3.32Å; L1074-Q1077 WeakPolarHBondContact O-CG 3.47Å
1078	E	91.6	Very high	93.7	Very high	131 Å²	131	59.3 Å²	59.3	61%	0.612	29%	0.291	S	S	*	.	S	Bend	trans	-115.7	160.7	-175.9	-73.2	-162.9	178	0	0	114.3	W1072 E1073 Q1076 T1080	W1072-E1078 WeakPolarHBondContact CA-O 3.37Å; E1073-E1078 PolarHBondContact N-O 3.38Å; E1073-E1078 PolarHBondContact O-N 2.9Å; Q1076-E1078 PolarHBondContact O-N 3.48Å; E1078-T1080 PolarHBondContact O-N 2.92Å
1079	L	95.1	Very high	93.7	Very high	41 Å²	41	61.6 Å²	61.6	22%	0.215	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	94.5	173.7	-179.8	63.7	0	0	0	111.1	P1044 K1070 K1071 W1072 Q1082	P1044-L1079 HydrophobicContact CG-CD2 4.02Å; K1070-L1079 HydrophobicContact CB-CD1 3.73Å; K1070-L1079 HydrophobicContact CD-CD1 3.88Å; K1070-L1079 HydrophobicContact CD-CD2 4.39Å; K1070-L1079 HydrophobicContact CG-CD1 4.04Å; K1071-L1079 WeakPolarHBondContact O-CD1 3.5Å; W1072-L1079 HydrophobicContact CD2-CD1 3.94Å; W1072-L1079 HydrophobicContact CE3-CB 3.74Å; W1072-L1079 HydrophobicContact CE3-CD1 3.71Å; W1072-L1079 HydrophobicContact CE3-CG 4.33Å; W1072-L1079 HydrophobicContact CH2-CD1 4.12Å; W1072-L1079 HydrophobicContact CZ2-CD1 4.3Å; W1072-L1079 HydrophobicContact CZ3-CB 3.68Å; W1072-L1079 HydrophobicContact CZ3-CD1 3.8Å; W1072-L1079 HydrophobicContact CZ3-CG 4.22Å; L1079-Q1082 HydrophobicContact CD1-CB 4.41Å; L1079-Q1082 HydrophobicContact CD2-CB 4.38Å; L1079-Q1082 HydrophobicContact CD2-CG 4.32Å
1080	T	94	Very high	93.7	Very high	56 Å²	56	65.2 Å²	65.2	34%	0.344	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-49.5	177.2	-23.7	0	0	0	0	112.2	K1071 E1073 E1078	K1071-T1080 PolarHBondContact O-N 3.44Å; E1073-T1080 PolarHBondContact OE2-OG1 3.08Å; E1078-T1080 PolarHBondContact O-N 2.92Å
1081	Q	94.1	Very high	93.7	Very high	60 Å²	60	64.9 Å²	64.9	28%	0.28	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	151	-172.9	-58.7	178.3	45.2	0	0	112.1	K1071 E1118 N1119 F1120	K1071-Q1081 HydrophobicContact CB-CB 4.22Å; K1071-Q1081 PolarHBondContact N-O 3.3Å; K1071-Q1081 PolarHBondContact O-N 3.42Å; Q1081-E1118 PolarHBondContact NE2-O 3.11Å; Q1081-E1118 VanDerWaalsContact NE2-O 3.09Å; Q1081-N1119 PolarHBondContact OE1-O 3.39Å; Q1081-F1120 HydrophobicContact CB-CD1 3.76Å
1082	Q	95.4	Very high	93.7	Very high	88 Å²	88	64.9 Å²	64.9	41%	0.411	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.9	175.5	61.2	175.3	-6.2	0	0	113.5	K1070 L1079	K1070-Q1082 HydrophobicContact CG-CB 3.86Å; L1079-Q1082 HydrophobicContact CD1-CB 4.41Å; L1079-Q1082 HydrophobicContact CD2-CB 4.38Å; L1079-Q1082 HydrophobicContact CD2-CG 4.32Å
1083	I	96.3	Very high	93.8	Very high	40 Å²	40	65.1 Å²	65.1	21%	0.205	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	89.9	176.5	-53.7	-179.5	0	0	0	108.8	G1068 I1069 A1086 W1115 F1120	G1068-I1083 WeakPolarHBondContact CA-O 3.33Å; I1069-I1083 PolarHBondContact N-O 3.45Å; I1069-I1083 VanDerWaalsContact N-O 3.08Å; I1069-I1083 PolarHBondContact O-N 3.11Å; I1083-A1086 HydrophobicContact CB-CB 4.2Å; I1083-A1086 HydrophobicContact CG2-CB 3.8Å; I1083-A1086 PolarHBondContact O-N 3.46Å; I1083-W1115 HydrophobicContact CD1-CE3 3.59Å; I1083-W1115 HydrophobicContact CD1-CH2 4.38Å; I1083-W1115 HydrophobicContact CD1-CZ3 3.5Å; I1083-W1115 HydrophobicContact CG2-CH2 4.29Å; I1083-W1115 HydrophobicContact CG2-CZ3 4.18Å; I1083-F1120 HydrophobicContact CD1-CB 4.27Å; I1083-F1120 HydrophobicContact CD1-CD1 3.72Å; I1083-F1120 HydrophobicContact CD1-CD2 3.75Å; I1083-F1120 HydrophobicContact CD1-CE1 3.98Å; I1083-F1120 HydrophobicContact CD1-CE2 3.99Å; I1083-F1120 HydrophobicContact CD1-CG 3.61Å; I1083-F1120 HydrophobicContact CD1-CZ 4.11Å; I1083-F1120 WeakPolarHBondContact CD1-O 3.45Å; I1083-F1120 HydrophobicContact CG1-CD1 3.76Å; I1083-F1120 HydrophobicContact CG1-CE1 3.83Å; I1083-F1120 HydrophobicContact CG1-CG 4.19Å; I1083-F1120 HydrophobicContact CG1-CZ 4.3Å
1084	P	94.3	Very high	94	Very high	73 Å²	73	63 Å²	63	47%	0.474	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	137.9	172	-19.3	32.7	0	0	0	110.7	A1086	P1084-A1086 VanDerWaalsContact C-N 3.26Å; P1084-A1086 PolarHBondContact O-N 2.92Å
1085	N	93	Very high	94.2	Very high	113 Å²	113	63 Å²	63	60%	0.604	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	40.4	-174.3	-50.9	-90.8	0	0	0	113.1	N1067 H1087	N1067-N1085 CarbonylContact O-C 3.59Å; N1067-N1085 WeakPolarHBondContact O-CA 3.38Å; N1085-H1087 CarbonylContact C-O 3.54Å; N1085-H1087 PolarHBondContact O-N 3.21Å
1086	A	93.6	Very high	94.5	Very high	3 Å²	3	56.6 Å²	56.6	3%	0.025	28%	0.28	C	S	.	.	S	Bend	trans	-53.3	-36.6	169.6	0	0	0	0	0	111.6	N1067 I1069 I1083 P1084 K1113 W1115	N1067-A1086 PolarHBondContact O-N 2.99Å; I1069-A1086 HydrophobicContact CB-CB 4.36Å; I1069-A1086 HydrophobicContact CD1-CB 3.69Å; I1069-A1086 HydrophobicContact CG1-CB 3.66Å; I1083-A1086 HydrophobicContact CB-CB 4.2Å; I1083-A1086 HydrophobicContact CG2-CB 3.8Å; I1083-A1086 PolarHBondContact O-N 3.46Å; P1084-A1086 VanDerWaalsContact C-N 3.26Å; P1084-A1086 PolarHBondContact O-N 2.92Å; A1086-K1113 VanDerWaalsContact O-CD 3.26Å; A1086-K1113 WeakPolarHBondContact O-CD 3.34Å; A1086-K1113 WeakPolarHBondContact O-CE 3.35Å; A1086-K1113 PolarHBondContact O-NZ 3.06Å; A1086-W1115 HydrophobicContact CB-CH2 3.78Å; A1086-W1115 HydrophobicContact CB-CZ2 3.87Å
1087	H	95.9	Very high	94.8	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.019	25%	0.254	C	S	.	.	S	Bend	trans	-116.4	177.8	167.8	-76.5	-85.6	0	0	0	111.4	N1067 N1085 D1089 V1091 S1105 C1107 M1111	N1067-H1087 WeakPolarHBondContact CB-O 3.34Å; N1067-H1087 PolarHBondContact O-N 3.34Å; N1085-H1087 CarbonylContact C-O 3.54Å; N1085-H1087 PolarHBondContact O-N 3.21Å; H1087-D1089 WeakPolarHBondContact CB-O 3.4Å; H1087-V1091 HydrophobicContact CB-CG2 4.31Å; H1087-S1105 PolarHBondContact CE1-O 3.18Å; H1087-S1105 PolarHBondContact NE2-O 2.98Å; H1087-S1105 PolarHBondContact NE2-OG 3.42Å; H1087-C1107 HydrophobicContact CB-CB 3.68Å; H1087-C1107 PolarHBondContact ND1-SG 2.99Å; H1087-M1111 PolarHBondContact CE1-O 2.63Å
1088	K	94.4	Very high	94.6	Very high	204 Å²	204	49.2 Å²	49.2	89%	0.887	25%	0.248	S	C	*	.	S	Bend	trans	-98.2	0.9	175.9	-63.2	-174.8	177.7	-177	0	113.5
1089	D	96.7	Very high	94.2	Very high	48 Å²	48	47.3 Å²	47.3	26%	0.257	26%	0.263	S	S	.	.	S	Bend	trans	-160.1	164.1	-171.1	-164.8	-3	0	0	0	106.9	N1067 H1087 C1107 R1108 G1109	N1067-D1089 WeakPolarHBondContact OD1-CA 3.37Å; N1067-D1089 PolarHBondContact OD1-N 2.87Å; N1067-D1089 PolarHBondContact OD1-O 2.95Å; H1087-D1089 WeakPolarHBondContact CB-O 3.4Å; D1089-C1107 HydrophobicContact CB-CB 4.47Å; D1089-C1107 WeakPolarHBondContact O-CB 3.45Å; D1089-R1108 HydrophobicContact CB-CB 4.46Å; D1089-R1108 WeakPolarHBondContact OD1-CD 3.27Å; D1089-R1108 WeakPolarHBondContact OD2-CB 3.28Å; D1089-R1108 WeakPolarHBondContact OD2-CG 3.39Å; D1089-G1109 PolarHBondContact OD2-N 3.48Å
1090	W	97.7	Very high	93.8	Very high	77 Å²	77	49.7 Å²	49.7	29%	0.292	27%	0.269	S	S	.	.			trans	-53.9	137.5	-165.2	-58.1	-10.7	0	0	0	112.8	R1065 N1067 C1092 C1107 R1108	R1065-W1090 HydrophobicContact CB-CD2 4.01Å; R1065-W1090 HydrophobicContact CB-CG 3.91Å; R1065-W1090 HydrophobicContact CG-CB 4.42Å; R1065-W1090 HydrophobicContact CG-CD2 3.7Å; R1065-W1090 HydrophobicContact CG-CE3 3.86Å; R1065-W1090 HydrophobicContact CG-CG 3.94Å; R1065-W1090 HydrophobicContact CG-CZ3 4.37Å; N1067-W1090 PolarHBondContact OD1-N 3.43Å; N1067-W1090 VanDerWaalsContact OD1-N 3.13Å; W1090-C1092 PolarHBondContact O-N 3.46Å; W1090-C1092 VanDerWaalsContact O-N 3.08Å; W1090-C1107 CarbonylContact O-C 3.59Å; W1090-C1107 WeakPolarHBondContact O-CA 3.45Å; W1090-C1107 VanDerWaalsContact O-CB 3.24Å; W1090-C1107 WeakPolarHBondContact O-CB 3.49Å; W1090-R1108 HydrophobicContact CB-CB 4.29Å; W1090-R1108 PolarHBondContact O-N 3.06Å
1091	V	98.1	Very high	93.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.			trans	-83.7	84.7	178.3	-168.3	0	0	0	0	109.7	C1052 S1064 G1068 I1069 H1087 A1106	C1052-V1091 PolarHBondContact SG-O 3.31Å; S1064-V1091 PolarHBondContact O-N 2.86Å; G1068-V1091 WeakPolarHBondContact O-CG2 3.48Å; I1069-V1091 HydrophobicContact CD1-CG1 4.28Å; I1069-V1091 HydrophobicContact CG1-CG1 4.08Å; I1069-V1091 HydrophobicContact CG1-CG2 4.08Å; H1087-V1091 HydrophobicContact CB-CG2 4.31Å; V1091-A1106 WeakPolarHBondContact CA-O 3.28Å; V1091-A1106 WeakPolarHBondContact CG1-O 3.46Å
1092	C	96.8	Very high	93.4	Very high	17 Å²	17	48.9 Å²	48.9	12%	0.115	27%	0.268	C	S	.	.			trans	-78.8	-14.4	-173.9	-63.6	0	0	0	0	114.9	W1090 A1106	W1090-C1092 PolarHBondContact O-N 3.46Å; W1090-C1092 VanDerWaalsContact O-N 3.08Å; C1092-A1106 PolarHBondContact N-O 3.25Å
1093	A	96.4	Very high	93.3	Very high	5 Å²	5	44.7 Å²	44.7	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	146.6	178.2	0	0	0	0	0	114.5	C1052 S1105 A1106 I1136	C1052-A1093 VanDerWaalsContact SG-C 3.52Å; C1052-A1093 VanDerWaalsContact SG-CA 3.52Å; C1052-A1093 PolarHBondContact SG-N 3.43Å; A1093-S1105 WeakPolarHBondContact O-CA 3.42Å; A1093-A1106 HydrophobicContact CB-CB 4.31Å; A1093-A1106 PolarHBondContact O-N 3.42Å; A1093-I1136 HydrophobicContact CB-CB 4.06Å; A1093-I1136 HydrophobicContact CB-CD1 3.84Å; A1093-I1136 HydrophobicContact CB-CG1 3.61Å
1094	L	97.4	Very high	93.3	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.063	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.3	176.7	-74.6	167.7	0	0	0	110.2	C1052 A1054 F1061 I1069 L1103 L1104 S1105	C1052-L1094 VanDerWaalsContact SG-CG 3.56Å; A1054-L1094 HydrophobicContact CB-CB 3.73Å; F1061-L1094 HydrophobicContact CB-CD1 4.08Å; I1069-L1094 HydrophobicContact CD1-CD2 4.36Å; I1069-L1094 HydrophobicContact CG2-CD1 4.29Å; I1069-L1094 HydrophobicContact CG2-CD2 4.12Å; L1094-L1103 HydrophobicContact CD2-CD1 4.18Å; L1094-L1103 HydrophobicContact CD2-CD2 3.91Å; L1094-L1103 HydrophobicContact CD2-CG 4.1Å; L1094-L1104 WeakPolarHBondContact CA-O 3.22Å; L1094-S1105 VanDerWaalsContact CD2-CB 3.46Å
1095	A	95.1	Very high	93.4	Very high	9 Å²	9	39.3 Å²	39.3	7%	0.074	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	159.2	167.7	0	0	0	0	0	111.6	L1104 I1136 T1138	A1095-L1104 PolarHBondContact N-O 2.94Å; A1095-L1104 PolarHBondContact O-N 3.22Å; A1095-I1136 HydrophobicContact CB-CB 4.18Å; A1095-I1136 HydrophobicContact CB-CG2 3.53Å; A1095-T1138 HydrophobicContact CB-CG2 3.81Å
1096	Y	93.4	Very high	93.6	Very high	19 Å²	19	34 Å²	34	8%	0.075	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	142	174.4	-72.6	-93.1	0	0	0	111.5	A1054 Q1056 V1059 F1061 V1117 T1138	A1054-Y1096 HydrophobicContact CB-CD2 4.28Å; A1054-Y1096 HydrophobicContact CB-CE2 4.04Å; Q1056-Y1096 HydrophobicContact CB-CD1 4.1Å; Q1056-Y1096 HydrophobicContact CB-CD2 3.84Å; Q1056-Y1096 HydrophobicContact CB-CE1 3.7Å; Q1056-Y1096 HydrophobicContact CB-CE2 3.43Å; Q1056-Y1096 VanDerWaalsContact CB-CE2 3.43Å; Q1056-Y1096 HydrophobicContact CB-CG 4.14Å; Q1056-Y1096 HydrophobicContact CG-CE1 4.47Å; V1059-Y1096 PolarHBondContact O-OH 2.88Å; F1061-Y1096 HydrophobicContact CD2-CE1 4.21Å; F1061-Y1096 HydrophobicContact CD2-CE2 4.37Å; F1061-Y1096 AromaticContact CD2-CZ 3.68Å; F1061-Y1096 WeakPolarHBondContact CD2-OH 3.47Å; F1061-Y1096 AromaticContact CE2-CE1 3.83Å; F1061-Y1096 HydrophobicContact CE2-CE1 3.83Å; F1061-Y1096 AromaticContact CE2-CZ 3.71Å; F1061-Y1096 WeakPolarHBondContact CE2-OH 3.44Å; Y1096-V1117 HydrophobicContact CD1-CG2 3.94Å; Y1096-V1117 HydrophobicContact CE1-CG1 4.2Å; Y1096-V1117 HydrophobicContact CE1-CG2 3.69Å; Y1096-T1138 WeakPolarHBondContact O-CG2 3.3Å
1097	V	91	Very high	93.8	Very high	4 Å²	4	34 Å²	34	2%	0.024	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-73.6	126.8	176.9	177.5	0	0	0	0	109.6	G1099 R1100 M1102 L1104 I1143 Y1157	V1097-G1099 PolarHBondContact O-N 2.84Å; V1097-R1100 HydrophobicContact CB-CB 4.27Å; V1097-R1100 HydrophobicContact CG1-CB 4.14Å; V1097-R1100 HydrophobicContact CG1-CG 4.26Å; V1097-R1100 PolarHBondContact O-N 3.05Å; V1097-R1100 VanDerWaalsContact O-N 3.11Å; V1097-M1102 HydrophobicContact CB-CB 4.03Å; V1097-M1102 HydrophobicContact CG2-CB 3.85Å; V1097-M1102 PolarHBondContact N-O 2.83Å; V1097-L1104 HydrophobicContact CG2-CB 4.48Å; V1097-I1143 HydrophobicContact CG1-CD1 4.26Å; V1097-I1143 HydrophobicContact CG2-CD1 4.27Å; V1097-Y1157 HydrophobicContact CG1-CD2 4.13Å; V1097-Y1157 HydrophobicContact CG1-CG 4.1Å
1098	P	86.8	Confident	93.8	Very high	30 Å²	30	39.2 Å²	39.2	20%	0.195	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	126.6	-176.3	-30.2	36.9	0	0	0	113.6	R1100 N1139	P1098-R1100 VanDerWaalsContact C-N 3.31Å; P1098-R1100 PolarHBondContact O-N 2.89Å; P1098-N1139 WeakPolarHBondContact CB-O 3.49Å; P1098-N1139 WeakPolarHBondContact CG-O 3.49Å
1099	G	82.5	Confident	93.8	Very high	90 Å²	90	31 Å²	31	93%	0.928	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.6	22.2	179	0	0	0	0	0	115.7	V1097	V1097-G1099 PolarHBondContact O-N 2.84Å
1100	R	86.5	Confident	93.6	Very high	92 Å²	92	28.8 Å²	28.8	35%	0.347	17%	0.168	S	C	.	.	S	Bend	trans	-141.6	145.6	-176.9	-60.1	-178.9	-171.5	-78.6	-10.7	112.4	V1097 P1098 M1102	V1097-R1100 HydrophobicContact CB-CB 4.27Å; V1097-R1100 HydrophobicContact CG1-CB 4.14Å; V1097-R1100 HydrophobicContact CG1-CG 4.26Å; V1097-R1100 PolarHBondContact O-N 3.05Å; V1097-R1100 VanDerWaalsContact O-N 3.11Å; P1098-R1100 VanDerWaalsContact C-N 3.31Å; P1098-R1100 PolarHBondContact O-N 2.89Å; R1100-M1102 HydrophobicContact CB-CB 4.41Å; R1100-M1102 HydrophobicContact CB-CG 4.3Å; R1100-M1102 PolarHBondContact O-N 3.23Å
1101	P	88.4	Confident	93.5	Very high	67 Å²	67	26.9 Å²	26.9	44%	0.435	16%	0.163	S	C	.	.	S	Bend	trans	-76.6	59.3	170.6	34.1	-36.2	0	0	0	110.7	V1117	P1101-V1117 VanDerWaalsContact C-CG2 3.48Å; P1101-V1117 HydrophobicContact CB-CB 4.39Å; P1101-V1117 PolarHBondContact O-N 3.34Å
1102	M	91.3	Very high	93.3	Very high	31 Å²	31	26.9 Å²	26.9	15%	0.153	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133.8	-179.6	-63.7	-177.2	-174.7	0	0	111	V1097 R1100 V1114 W1115 I1123 Y1157	V1097-M1102 HydrophobicContact CB-CB 4.03Å; V1097-M1102 HydrophobicContact CG2-CB 3.85Å; V1097-M1102 PolarHBondContact N-O 2.83Å; R1100-M1102 HydrophobicContact CB-CB 4.41Å; R1100-M1102 HydrophobicContact CB-CG 4.3Å; R1100-M1102 PolarHBondContact O-N 3.23Å; M1102-V1114 HydrophobicContact CB-CG1 4.12Å; M1102-V1114 HydrophobicContact SD-CG1 4.11Å; M1102-W1115 CarbonylContact C-O 3.58Å; M1102-W1115 WeakPolarHBondContact CA-O 3.28Å; M1102-I1123 HydrophobicContact CE-CD1 3.63Å; M1102-I1123 HydrophobicContact CG-CD1 3.77Å; M1102-I1123 HydrophobicContact SD-CD1 3.61Å; M1102-Y1157 HydrophobicContact SD-CD2 4.34Å; M1102-Y1157 HydrophobicContact SD-CE2 3.52Å; M1102-Y1157 VanDerWaalsContact SD-CE2 3.52Å
1103	L	94.9	Very high	93.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	139.7	174.1	-175.9	73.3	0	0	0	109.1	F1061 I1069 L1094 V1114 W1115 V1117 F1120	F1061-L1103 HydrophobicContact CB-CD1 4.23Å; F1061-L1103 HydrophobicContact CB-CD2 4Å; F1061-L1103 HydrophobicContact CD1-CD2 3.45Å; F1061-L1103 VanDerWaalsContact CD1-CD2 3.45Å; F1061-L1103 HydrophobicContact CD2-CD1 3.71Å; F1061-L1103 HydrophobicContact CD2-CD2 3.89Å; F1061-L1103 HydrophobicContact CD2-CG 4.33Å; F1061-L1103 HydrophobicContact CE1-CD2 3.75Å; F1061-L1103 HydrophobicContact CE2-CD1 4.2Å; F1061-L1103 HydrophobicContact CE2-CD2 4.18Å; F1061-L1103 HydrophobicContact CG-CD1 4Å; F1061-L1103 HydrophobicContact CG-CD2 3.51Å; F1061-L1103 HydrophobicContact CG-CG 4.37Å; F1061-L1103 HydrophobicContact CZ-CD2 4.11Å; I1069-L1103 HydrophobicContact CG2-CD2 4.48Å; L1094-L1103 HydrophobicContact CD2-CD1 4.18Å; L1094-L1103 HydrophobicContact CD2-CD2 3.91Å; L1094-L1103 HydrophobicContact CD2-CG 4.1Å; L1103-V1114 CarbonylContact O-C 3.54Å; L1103-V1114 WeakPolarHBondContact O-CA 3.43Å; L1103-W1115 HydrophobicContact CB-CB 4.38Å; L1103-W1115 PolarHBondContact N-O 3.42Å; L1103-W1115 PolarHBondContact O-N 3.16Å; L1103-V1117 HydrophobicContact CB-CG2 4.2Å; L1103-F1120 HydrophobicContact CD2-CE2 3.98Å
1104	L	95.6	Very high	93	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.3	168.1	-178.5	62	0	0	0	109.2	L841 L1094 A1095 V1097 L1112 K1113 V1114 I1136 I1143	L841-L1104 HydrophobicContact CD1-CD1 3.69Å; L841-L1104 HydrophobicContact CD1-CD2 4.43Å; L1094-L1104 WeakPolarHBondContact CA-O 3.22Å; A1095-L1104 PolarHBondContact N-O 2.94Å; A1095-L1104 PolarHBondContact O-N 3.22Å; V1097-L1104 HydrophobicContact CG2-CB 4.48Å; L1104-L1112 HydrophobicContact CD1-CB 4.07Å; L1104-L1112 HydrophobicContact CD1-CD2 4.06Å; L1104-L1112 HydrophobicContact CD2-CD2 4.28Å; L1104-L1112 HydrophobicContact CG-CD2 4.24Å; L1104-K1113 WeakPolarHBondContact CA-O 3.49Å; L1104-K1113 WeakPolarHBondContact CD1-O 3.47Å; L1104-V1114 HydrophobicContact CD1-CG2 4.16Å; L1104-I1136 HydrophobicContact CD2-CD1 4.1Å; L1104-I1136 HydrophobicContact CD2-CG2 4.33Å; L1104-I1136 HydrophobicContact CG-CD1 4Å; L1104-I1143 HydrophobicContact CD2-CD1 4.33Å; L1104-I1143 HydrophobicContact CD2-CG2 3.46Å; L1104-I1143 VanDerWaalsContact CD2-CG2 3.46Å
1105	S	96.9	Very high	92.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.1	169.8	68.7	0	0	0	0	111.9	I1069 H1087 A1093 L1094 L1112 K1113 W1115	I1069-S1105 VanDerWaalsContact CD1-CB 3.49Å; I1069-S1105 WeakPolarHBondContact CD1-OG 3.39Å; H1087-S1105 PolarHBondContact CE1-O 3.18Å; H1087-S1105 PolarHBondContact NE2-O 2.98Å; H1087-S1105 PolarHBondContact NE2-OG 3.42Å; A1093-S1105 WeakPolarHBondContact O-CA 3.42Å; L1094-S1105 VanDerWaalsContact CD2-CB 3.46Å; S1105-L1112 WeakPolarHBondContact O-CA 3.07Å; S1105-K1113 PolarHBondContact N-O 2.92Å; S1105-K1113 PolarHBondContact O-N 3.47Å; S1105-W1115 PolarHBondContact OG-NE1 2.88Å
1106	A	96.8	Very high	92.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	154.7	171.7	0	0	0	0	0	111.3	V1091 C1092 A1093 M1111 L1112 I1133 I1136	V1091-A1106 WeakPolarHBondContact CA-O 3.28Å; V1091-A1106 WeakPolarHBondContact CG1-O 3.46Å; C1092-A1106 PolarHBondContact N-O 3.25Å; A1093-A1106 HydrophobicContact CB-CB 4.31Å; A1093-A1106 PolarHBondContact O-N 3.42Å; A1106-M1111 WeakPolarHBondContact CA-O 3.39Å; A1106-L1112 HydrophobicContact CB-CD2 3.71Å; A1106-I1133 HydrophobicContact CB-CB 3.82Å; A1106-I1133 HydrophobicContact CB-CD1 4.05Å; A1106-I1133 HydrophobicContact CB-CG2 3.45Å; A1106-I1133 VanDerWaalsContact CB-CG2 3.45Å; A1106-I1136 HydrophobicContact CB-CD1 3.78Å; A1106-I1136 HydrophobicContact CB-CG1 4.2Å
1107	C	96.6	Very high	92.4	Very high	3 Å²	3	28 Å²	28	2%	0.02	17%	0.166	C	C	.	.			trans	-121.8	163.4	165.9	63.9	0	0	0	0	114	H1087 D1089 W1090 G1109 G1110 M1111	H1087-C1107 HydrophobicContact CB-CB 3.68Å; H1087-C1107 PolarHBondContact ND1-SG 2.99Å; D1089-C1107 HydrophobicContact CB-CB 4.47Å; D1089-C1107 WeakPolarHBondContact O-CB 3.45Å; W1090-C1107 CarbonylContact O-C 3.59Å; W1090-C1107 WeakPolarHBondContact O-CA 3.45Å; W1090-C1107 VanDerWaalsContact O-CB 3.24Å; W1090-C1107 WeakPolarHBondContact O-CB 3.49Å; C1107-G1109 PolarHBondContact O-N 3.44Å; C1107-G1109 VanDerWaalsContact O-N 3.09Å; C1107-G1110 PolarHBondContact O-N 2.92Å; C1107-M1111 PolarHBondContact N-O 3.19Å; C1107-M1111 VanDerWaalsContact N-O 3.11Å
1108	R	96.4	Very high	92.2	Very high	114 Å²	114	33.8 Å²	33.8	43%	0.43	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-19.7	167.5	-178.8	-176.8	-172.6	113.9	-0.6	113.5	D1089 W1090 G1110 P1132	D1089-R1108 HydrophobicContact CB-CB 4.46Å; D1089-R1108 WeakPolarHBondContact OD1-CD 3.27Å; D1089-R1108 WeakPolarHBondContact OD2-CB 3.28Å; D1089-R1108 WeakPolarHBondContact OD2-CG 3.39Å; W1090-R1108 HydrophobicContact CB-CB 4.29Å; W1090-R1108 PolarHBondContact O-N 3.06Å; R1108-G1110 VanDerWaalsContact C-N 3.26Å; R1108-G1110 PolarHBondContact O-N 3.46Å; R1108-P1132 HydrophobicContact CG-CB 4.12Å; R1108-P1132 HydrophobicContact CG-CG 4.17Å; R1108-P1132 WeakPolarHBondContact O-CA 3.39Å; R1108-P1132 WeakPolarHBondContact O-CB 3.35Å; R1108-P1132 WeakPolarHBondContact O-CG 3.47Å
1109	G	93.9	Very high	92.1	Very high	33 Å²	33	36 Å²	36	34%	0.34	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	2.7	171.6	0	0	0	0	0	115.7	D1089 C1107 M1111	D1089-G1109 PolarHBondContact OD2-N 3.48Å; C1107-G1109 PolarHBondContact O-N 3.44Å; C1107-G1109 VanDerWaalsContact O-N 3.09Å; G1109-M1111 VanDerWaalsContact C-N 3.29Å; G1109-M1111 PolarHBondContact O-N 3.04Å
1110	G	94.3	Very high	92.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	79.2	3.9	178.2	0	0	0	0	0	115.4	C1107 R1108 G1128 H1129 S1131	C1107-G1110 PolarHBondContact O-N 2.92Å; R1108-G1110 VanDerWaalsContact C-N 3.26Å; R1108-G1110 PolarHBondContact O-N 3.46Å; G1110-G1128 WeakPolarHBondContact O-CA 3.43Å; G1110-G1128 PolarHBondContact O-N 3.45Å; G1110-H1129 WeakPolarHBondContact CA-O 3.5Å; G1110-H1129 PolarHBondContact O-N 2.96Å; G1110-S1131 WeakPolarHBondContact CA-O 3.38Å
1111	M	94.4	Very high	92.6	Very high	38 Å²	38	31 Å²	31	19%	0.187	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	144.1	-179.2	-57	-57.6	-63.5	0	0	111.6	H1087 A1106 C1107 G1109 E1125 R1127	H1087-M1111 PolarHBondContact CE1-O 2.63Å; A1106-M1111 WeakPolarHBondContact CA-O 3.39Å; C1107-M1111 PolarHBondContact N-O 3.19Å; C1107-M1111 VanDerWaalsContact N-O 3.11Å; G1109-M1111 VanDerWaalsContact C-N 3.29Å; G1109-M1111 PolarHBondContact O-N 3.04Å; M1111-E1125 HydrophobicContact CE-CG 3.71Å; M1111-E1125 WeakPolarHBondContact CE-OE1 3.33Å; M1111-R1127 HydrophobicContact CE-CB 4.06Å; M1111-R1127 HydrophobicContact SD-CB 3.8Å; M1111-R1127 HydrophobicContact SD-CG 4.09Å
1112	L	94.8	Very high	92.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.5	175.1	-71.2	170.1	0	0	0	109.4	L1104 S1105 A1106 E1125 V1126 I1133 I1136 T1145 W1155	L1104-L1112 HydrophobicContact CD1-CB 4.07Å; L1104-L1112 HydrophobicContact CD1-CD2 4.06Å; L1104-L1112 HydrophobicContact CD2-CD2 4.28Å; L1104-L1112 HydrophobicContact CG-CD2 4.24Å; S1105-L1112 WeakPolarHBondContact O-CA 3.07Å; A1106-L1112 HydrophobicContact CB-CD2 3.71Å; L1112-E1125 CarbonylContact O-C 3.59Å; L1112-E1125 WeakPolarHBondContact O-CA 3.44Å; L1112-V1126 HydrophobicContact CB-CG1 3.78Å; L1112-V1126 HydrophobicContact CD1-CG1 4.23Å; L1112-V1126 PolarHBondContact N-O 2.69Å; L1112-V1126 PolarHBondContact O-N 2.69Å; L1112-I1133 HydrophobicContact CD2-CD1 3.92Å; L1112-I1133 HydrophobicContact CG-CD1 3.91Å; L1112-I1136 HydrophobicContact CD2-CD1 4.31Å; L1112-T1145 HydrophobicContact CD1-CG2 4.09Å; L1112-T1145 HydrophobicContact CD2-CG2 4.09Å; L1112-W1155 HydrophobicContact CD1-CH2 4.37Å; L1112-W1155 HydrophobicContact CD1-CZ2 3.96Å
1113	K	93.2	Very high	92.4	Very high	34 Å²	34	32.3 Å²	32.3	15%	0.148	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.5	176.2	-71.5	-177	178.4	-166.3	0	111.5	A1086 L1104 S1105 W1115 G1124 E1125	A1086-K1113 VanDerWaalsContact O-CD 3.26Å; A1086-K1113 WeakPolarHBondContact O-CD 3.34Å; A1086-K1113 WeakPolarHBondContact O-CE 3.35Å; A1086-K1113 PolarHBondContact O-NZ 3.06Å; L1104-K1113 WeakPolarHBondContact CA-O 3.49Å; L1104-K1113 WeakPolarHBondContact CD1-O 3.47Å; S1105-K1113 PolarHBondContact N-O 2.92Å; S1105-K1113 PolarHBondContact O-N 3.47Å; K1113-W1115 HydrophobicContact CB-CZ2 3.62Å; K1113-W1115 HydrophobicContact CD-CH2 3.99Å; K1113-W1115 HydrophobicContact CD-CZ2 3.57Å; K1113-W1115 HydrophobicContact CG-CZ2 4.23Å; K1113-W1115 PolarHBondContact O-NE1 3.01Å; K1113-G1124 WeakPolarHBondContact CA-O 3.12Å; K1113-E1125 WeakPolarHBondContact CE-OE1 3.24Å; K1113-E1125 WeakPolarHBondContact CE-OE2 3.35Å; K1113-E1125 HydrophobicContact CG-CB 4.07Å; K1113-E1125 HydrophobicContact CG-CG 3.92Å; K1113-E1125 IonicContact NZ-OE2 3.17Å
1114	V	92.1	Very high	91.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.3	177.5	-169	0	0	0	0	109	P840 L841 M1102 L1103 L1104 I1123 G1124 Y1157	P840-V1114 HydrophobicContact CG-CG2 4.45Å; L841-V1114 HydrophobicContact CD1-CG2 3.71Å; L841-V1114 HydrophobicContact CG-CG2 4.07Å; M1102-V1114 HydrophobicContact CB-CG1 4.12Å; M1102-V1114 HydrophobicContact SD-CG1 4.11Å; L1103-V1114 CarbonylContact O-C 3.54Å; L1103-V1114 WeakPolarHBondContact O-CA 3.43Å; L1104-V1114 HydrophobicContact CD1-CG2 4.16Å; V1114-I1123 HydrophobicContact CB-CB 4.34Å; V1114-I1123 HydrophobicContact CG1-CB 4.33Å; V1114-I1123 HydrophobicContact CG1-CD1 4.27Å; V1114-I1123 PolarHBondContact O-N 3.22Å; V1114-G1124 PolarHBondContact N-O 3.07Å; V1114-G1124 PolarHBondContact O-N 3.2Å; V1114-Y1157 HydrophobicContact CG1-CE2 4.48Å
1115	W	92.5	Very high	91.4	Very high	9 Å²	9	37.1 Å²	37.1	3%	0.034	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.1	-178.5	-40.5	80.5	0	0	0	109.8	I1069 I1083 A1086 M1102 L1103 S1105 K1113 F1120 T1121 P1122	I1069-W1115 HydrophobicContact CD1-CZ2 4.04Å; I1083-W1115 HydrophobicContact CD1-CE3 3.59Å; I1083-W1115 HydrophobicContact CD1-CH2 4.38Å; I1083-W1115 HydrophobicContact CD1-CZ3 3.5Å; I1083-W1115 HydrophobicContact CG2-CH2 4.29Å; I1083-W1115 HydrophobicContact CG2-CZ3 4.18Å; A1086-W1115 HydrophobicContact CB-CH2 3.78Å; A1086-W1115 HydrophobicContact CB-CZ2 3.87Å; M1102-W1115 CarbonylContact C-O 3.58Å; M1102-W1115 WeakPolarHBondContact CA-O 3.28Å; L1103-W1115 HydrophobicContact CB-CB 4.38Å; L1103-W1115 PolarHBondContact N-O 3.42Å; L1103-W1115 PolarHBondContact O-N 3.16Å; S1105-W1115 PolarHBondContact OG-NE1 2.88Å; K1113-W1115 HydrophobicContact CB-CZ2 3.62Å; K1113-W1115 HydrophobicContact CD-CH2 3.99Å; K1113-W1115 HydrophobicContact CD-CZ2 3.57Å; K1113-W1115 HydrophobicContact CG-CZ2 4.23Å; K1113-W1115 PolarHBondContact O-NE1 3.01Å; W1115-F1120 HydrophobicContact CB-CD2 4.08Å; W1115-F1120 HydrophobicContact CB-CE2 4.42Å; W1115-F1120 HydrophobicContact CG-CD2 4.44Å; W1115-F1120 HydrophobicContact CG-CE2 4.4Å; W1115-T1121 WeakPolarHBondContact CA-O 3.32Å; W1115-P1122 HydrophobicContact CE3-CB 3.81Å; W1115-P1122 HydrophobicContact CZ3-CB 3.74Å; W1115-P1122 HydrophobicContact CZ3-CG 4.26Å
1116	N	90.3	Very high	91	Very high	26 Å²	26	38.4 Å²	38.4	14%	0.139	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.5	168.5	169.5	-64.9	0	0	0	109.2	E1118 N1119 F1120 T1121 I1123	N1116-E1118 PolarHBondContact ND2-OE2 3.44Å; N1116-E1118 WeakPolarHBondContact OD1-CA 3.5Å; N1116-E1118 VanDerWaalsContact OD1-CB 3.31Å; N1116-E1118 WeakPolarHBondContact OD1-CB 3.47Å; N1116-E1118 PolarHBondContact OD1-N 3.23Å; N1116-N1119 WeakPolarHBondContact CB-OD1 3.46Å; N1116-N1119 VanDerWaalsContact CG-OD1 3.32Å; N1116-N1119 VanDerWaalsContact OD1-CG 3.31Å; N1116-N1119 PolarHBondContact OD1-N 2.75Å; N1116-N1119 PolarHBondContact OD1-OD1 3.42Å; N1116-F1120 WeakPolarHBondContact O-CA 3.45Å; N1116-F1120 PolarHBondContact O-N 3.4Å; N1116-T1121 PolarHBondContact N-O 3.13Å; N1116-I1123 HydrophobicContact CB-CD1 4.01Å; N1116-I1123 HydrophobicContact CB-CG1 4.29Å
1117	V	90.5	Very high	90.8	Very high	15 Å²	15	45 Å²	45	9%	0.091	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-29.9	-175.8	167.5	0	0	0	0	113.4	F1061 K1071 Y1096 P1101 L1103	F1061-V1117 HydrophobicContact CE2-CG1 4.12Å; F1061-V1117 HydrophobicContact CE2-CG2 4.23Å; F1061-V1117 HydrophobicContact CZ-CB 4.47Å; F1061-V1117 HydrophobicContact CZ-CG1 4.16Å; F1061-V1117 HydrophobicContact CZ-CG2 4.35Å; K1071-V1117 PolarHBondContact NZ-O 3.13Å; Y1096-V1117 HydrophobicContact CD1-CG2 3.94Å; Y1096-V1117 HydrophobicContact CE1-CG1 4.2Å; Y1096-V1117 HydrophobicContact CE1-CG2 3.69Å; P1101-V1117 VanDerWaalsContact C-CG2 3.48Å; P1101-V1117 HydrophobicContact CB-CB 4.39Å; P1101-V1117 PolarHBondContact O-N 3.34Å; L1103-V1117 HydrophobicContact CB-CG2 4.2Å
1118	E	87.4	Confident	90.4	Very high	125 Å²	125	44.9 Å²	44.9	58%	0.584	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-57.8	-176.8	-53.3	157.7	163	0	0	110.3	K1071 Q1081 N1116	K1071-E1118 PolarHBondContact NZ-O 3.5Å; Q1081-E1118 PolarHBondContact NE2-O 3.11Å; Q1081-E1118 VanDerWaalsContact NE2-O 3.09Å; N1116-E1118 PolarHBondContact ND2-OE2 3.44Å; N1116-E1118 WeakPolarHBondContact OD1-CA 3.5Å; N1116-E1118 VanDerWaalsContact OD1-CB 3.31Å; N1116-E1118 WeakPolarHBondContact OD1-CB 3.47Å; N1116-E1118 PolarHBondContact OD1-N 3.23Å
1119	N	85.8	Confident	90.3	Very high	77 Å²	77	39.4 Å²	39.4	41%	0.412	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	6.4	-170.4	65.8	38.7	0	0	0	114.5	Q1081 N1116 T1121	Q1081-N1119 PolarHBondContact OE1-O 3.39Å; N1116-N1119 WeakPolarHBondContact CB-OD1 3.46Å; N1116-N1119 VanDerWaalsContact CG-OD1 3.32Å; N1116-N1119 VanDerWaalsContact OD1-CG 3.31Å; N1116-N1119 PolarHBondContact OD1-N 2.75Å; N1116-N1119 PolarHBondContact OD1-OD1 3.42Å; N1119-T1121 PolarHBondContact O-N 2.88Å; N1119-T1121 WeakPolarHBondContact OD1-CB 3.38Å; N1119-T1121 VanDerWaalsContact OD1-CG2 3.32Å; N1119-T1121 WeakPolarHBondContact OD1-CG2 3.3Å; N1119-T1121 PolarHBondContact OD1-N 2.86Å; N1119-T1121 PolarHBondContact OD1-OG1 3.28Å
1120	F	90	Very high	90.2	Very high	5 Å²	5	43.5 Å²	43.5	2%	0.022	22%	0.223	C	C	.	.			trans	53.9	13	178.8	-144.4	-177.3	0	0	0	116	F1061 I1069 K1071 Q1081 I1083 L1103 W1115 N1116	F1061-F1120 HydrophobicContact CD1-CE1 4.43Å; F1061-F1120 AromaticContact CD1-CE2 3.85Å; F1061-F1120 HydrophobicContact CD1-CE2 3.85Å; F1061-F1120 AromaticContact CD1-CZ 3.72Å; F1061-F1120 HydrophobicContact CD1-CZ 3.72Å; F1061-F1120 AromaticContact CE1-CD2 3.92Å; F1061-F1120 HydrophobicContact CE1-CD2 3.92Å; F1061-F1120 HydrophobicContact CE1-CE1 4.26Å; F1061-F1120 AromaticContact CE1-CE2 3.55Å; F1061-F1120 HydrophobicContact CE1-CE2 3.55Å; F1061-F1120 HydrophobicContact CE1-CG 4.43Å; F1061-F1120 AromaticContact CE1-CZ 3.73Å; F1061-F1120 HydrophobicContact CE1-CZ 3.73Å; I1069-F1120 HydrophobicContact CB-CZ 3.91Å; I1069-F1120 HydrophobicContact CG2-CE2 4.31Å; I1069-F1120 HydrophobicContact CG2-CZ 3.69Å; K1071-F1120 HydrophobicContact CB-CD1 4.1Å; K1071-F1120 HydrophobicContact CB-CE1 3.86Å; K1071-F1120 HydrophobicContact CB-CZ 4.43Å; Q1081-F1120 HydrophobicContact CB-CD1 3.76Å; I1083-F1120 HydrophobicContact CD1-CB 4.27Å; I1083-F1120 HydrophobicContact CD1-CD1 3.72Å; I1083-F1120 HydrophobicContact CD1-CD2 3.75Å; I1083-F1120 HydrophobicContact CD1-CE1 3.98Å; I1083-F1120 HydrophobicContact CD1-CE2 3.99Å; I1083-F1120 HydrophobicContact CD1-CG 3.61Å; I1083-F1120 HydrophobicContact CD1-CZ 4.11Å; I1083-F1120 WeakPolarHBondContact CD1-O 3.45Å; I1083-F1120 HydrophobicContact CG1-CD1 3.76Å; I1083-F1120 HydrophobicContact CG1-CE1 3.83Å; I1083-F1120 HydrophobicContact CG1-CG 4.19Å; I1083-F1120 HydrophobicContact CG1-CZ 4.3Å; L1103-F1120 HydrophobicContact CD2-CE2 3.98Å; W1115-F1120 HydrophobicContact CB-CD2 4.08Å; W1115-F1120 HydrophobicContact CB-CE2 4.42Å; W1115-F1120 HydrophobicContact CG-CD2 4.44Å; W1115-F1120 HydrophobicContact CG-CE2 4.4Å; N1116-F1120 WeakPolarHBondContact O-CA 3.45Å; N1116-F1120 PolarHBondContact O-N 3.4Å
1121	T	88.1	Confident	90.3	Very high	70 Å²	70	45.4 Å²	45.4	43%	0.429	24%	0.236	S	C	.	.			trans	-70.7	141	-177.3	57.9	0	0	0	0	112.3	W1115 N1116 N1119 I1123	W1115-T1121 WeakPolarHBondContact CA-O 3.32Å; N1116-T1121 PolarHBondContact N-O 3.13Å; N1119-T1121 PolarHBondContact O-N 2.88Å; N1119-T1121 WeakPolarHBondContact OD1-CB 3.38Å; N1119-T1121 VanDerWaalsContact OD1-CG2 3.32Å; N1119-T1121 WeakPolarHBondContact OD1-CG2 3.3Å; N1119-T1121 PolarHBondContact OD1-N 2.86Å; N1119-T1121 PolarHBondContact OD1-OG1 3.28Å; T1121-I1123 PolarHBondContact O-N 3Å
1122	P	88.7	Confident	90.5	Very high	86 Å²	86	45.6 Å²	45.6	56%	0.558	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	119.5	174.4	26.8	-32.8	0	0	0	110.8	W1115	W1115-P1122 HydrophobicContact CE3-CB 3.81Å; W1115-P1122 HydrophobicContact CZ3-CB 3.74Å; W1115-P1122 HydrophobicContact CZ3-CG 4.26Å
1123	I	86.4	Confident	90.6	Very high	40 Å²	40	45.6 Å²	45.6	21%	0.205	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-35.7	177.5	-58.1	178.9	0	0	0	110.7	M1102 V1114 N1116 T1121 P1163	M1102-I1123 HydrophobicContact CE-CD1 3.63Å; M1102-I1123 HydrophobicContact CG-CD1 3.77Å; M1102-I1123 HydrophobicContact SD-CD1 3.61Å; V1114-I1123 HydrophobicContact CB-CB 4.34Å; V1114-I1123 HydrophobicContact CG1-CB 4.33Å; V1114-I1123 HydrophobicContact CG1-CD1 4.27Å; V1114-I1123 PolarHBondContact O-N 3.22Å; N1116-I1123 HydrophobicContact CB-CD1 4.01Å; N1116-I1123 HydrophobicContact CB-CG1 4.29Å; T1121-I1123 PolarHBondContact O-N 3Å; I1123-P1163 WeakPolarHBondContact O-CG 3.42Å
1124	G	82.1	Confident	90.8	Very high	11 Å²	11	45.9 Å²	45.9	11%	0.113	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	160.8	-176.9	0	0	0	0	0	114.6	K1113 V1114	K1113-G1124 WeakPolarHBondContact CA-O 3.12Å; V1114-G1124 PolarHBondContact N-O 3.07Å; V1114-G1124 PolarHBondContact O-N 3.2Å
1125	E	87.9	Confident	91.1	Very high	92 Å²	92	46.6 Å²	46.6	43%	0.43	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.9	174.6	-179.3	170.3	-178.1	0	0	109	M1111 L1112 K1113	M1111-E1125 HydrophobicContact CE-CG 3.71Å; M1111-E1125 WeakPolarHBondContact CE-OE1 3.33Å; L1112-E1125 CarbonylContact O-C 3.59Å; L1112-E1125 WeakPolarHBondContact O-CA 3.44Å; K1113-E1125 WeakPolarHBondContact CE-OE1 3.24Å; K1113-E1125 WeakPolarHBondContact CE-OE2 3.35Å; K1113-E1125 HydrophobicContact CG-CB 4.07Å; K1113-E1125 HydrophobicContact CG-CG 3.92Å; K1113-E1125 IonicContact NZ-OE2 3.17Å
1126	V	90	Very high	91.3	Very high	26 Å²	26	47 Å²	47	16%	0.158	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.4	174.9	68.6	0	0	0	0	109.4	A839 L841 L1112 G1128	A839-V1126 HydrophobicContact CB-CG2 4.09Å; L841-V1126 HydrophobicContact CB-CG1 4.29Å; L841-V1126 HydrophobicContact CD1-CG1 4.21Å; L1112-V1126 HydrophobicContact CB-CG1 3.78Å; L1112-V1126 HydrophobicContact CD1-CG1 4.23Å; L1112-V1126 PolarHBondContact N-O 2.69Å; L1112-V1126 PolarHBondContact O-N 2.69Å; V1126-G1128 PolarHBondContact O-N 3.18Å
1127	R	90.9	Very high	91.5	Very high	139 Å²	139	46.4 Å²	46.4	53%	0.525	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	112.4	169	177.3	163.2	-74.1	-145.4	-10.1	108.7	M1111 H1129 D1130	M1111-R1127 HydrophobicContact CE-CB 4.06Å; M1111-R1127 HydrophobicContact SD-CB 3.8Å; M1111-R1127 HydrophobicContact SD-CG 4.09Å; R1127-H1129 WeakPolarHBondContact CG-O 3.5Å; R1127-D1130 VanDerWaalsContact CD-OD1 3.25Å; R1127-D1130 WeakPolarHBondContact CD-OD1 3.35Å; R1127-D1130 IonicContact CZ-OD1 3.1Å; R1127-D1130 IonicContact NE-OD1 3.2Å; R1127-D1130 IonicContact NH1-OD1 3.62Å; R1127-D1130 PolarHBondContact NH1-OD1 3.06Å
1128	G	89.7	Confident	91.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.26	C	S	.	.			trans	-74.3	-55.1	176.5	0	0	0	0	0	111	G1110 V1126 K1153 W1155	G1110-G1128 WeakPolarHBondContact O-CA 3.43Å; G1110-G1128 PolarHBondContact O-N 3.45Å; V1126-G1128 PolarHBondContact O-N 3.18Å; G1128-K1153 WeakPolarHBondContact O-CD 3.48Å; G1128-K1153 PolarHBondContact O-NZ 3.19Å; G1128-W1155 WeakPolarHBondContact O-CZ2 3.31Å
1129	H	93.9	Very high	92	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.			trans	-139.6	162.5	-178.8	-66.8	-111.9	0	0	0	110.4	G1110 R1127 S1131 I1133 T1145 S1147 D1149 K1153	G1110-H1129 WeakPolarHBondContact CA-O 3.5Å; G1110-H1129 PolarHBondContact O-N 2.96Å; R1127-H1129 WeakPolarHBondContact CG-O 3.5Å; H1129-S1131 PolarHBondContact O-N 3.39Å; H1129-I1133 HydrophobicContact CB-CG1 4.23Å; H1129-T1145 PolarHBondContact NE2-O 3.4Å; H1129-T1145 PolarHBondContact NE2-OG1 2.99Å; H1129-S1147 WeakPolarHBondContact CB-OG 3.39Å; H1129-S1147 VanDerWaalsContact CE1-CB 3.4Å; H1129-S1147 WeakPolarHBondContact CE1-CB 3.49Å; H1129-S1147 VanDerWaalsContact CG-CB 3.47Å; H1129-S1147 WeakPolarHBondContact ND1-CB 3.45Å; H1129-D1149 IonicContact CE1-OD1 3.94Å; H1129-D1149 IonicContact CE1-OD2 2.81Å; H1129-D1149 IonicContact CG-OD2 3.78Å; H1129-D1149 VanDerWaalsContact ND1-CG 3.3Å; H1129-D1149 IonicContact ND1-OD1 3.52Å; H1129-D1149 PolarHBondContact ND1-OD1 2.93Å; H1129-D1149 IonicContact ND1-OD2 3.03Å; H1129-D1149 PolarHBondContact ND1-OD2 3.32Å; H1129-K1153 WeakPolarHBondContact ND1-CE 3.32Å
1130	D	92.4	Very high	92.2	Very high	119 Å²	119	42.8 Å²	42.8	64%	0.636	24%	0.242	S	C	*	.	S	Bend	trans	-91.1	26.4	172.2	-67.2	-74.9	0	0	0	111.4	R1127	R1127-D1130 VanDerWaalsContact CD-OD1 3.25Å; R1127-D1130 WeakPolarHBondContact CD-OD1 3.35Å; R1127-D1130 IonicContact CZ-OD1 3.1Å; R1127-D1130 IonicContact NE-OD1 3.2Å; R1127-D1130 IonicContact NH1-OD1 3.62Å; R1127-D1130 PolarHBondContact NH1-OD1 3.06Å
1131	S	96.3	Very high	92.1	Very high	39 Å²	39	50.8 Å²	50.8	27%	0.273	27%	0.272	S	S	.	.	S	Bend	trans	-159.6	162.4	-176.3	-72.2	0	0	0	0	109.7	G1110 H1129 I1133 S1147	G1110-S1131 WeakPolarHBondContact CA-O 3.38Å; H1129-S1131 PolarHBondContact O-N 3.39Å; S1131-I1133 PolarHBondContact O-N 3.36Å; S1131-S1147 PolarHBondContact O-OG 3.07Å
1132	P	97.7	Very high	92.3	Very high	42 Å²	42	49.9 Å²	49.9	27%	0.273	26%	0.263	S	S	.	.			trans	-50.5	132	179.9	-28.5	32.5	0	0	0	113.8	R1108 S1147 S1148	R1108-P1132 HydrophobicContact CG-CB 4.12Å; R1108-P1132 HydrophobicContact CG-CG 4.17Å; R1108-P1132 WeakPolarHBondContact O-CA 3.39Å; R1108-P1132 WeakPolarHBondContact O-CB 3.35Å; R1108-P1132 WeakPolarHBondContact O-CG 3.47Å; P1132-S1147 CarbonylContact O-C 3.28Å; P1132-S1147 VanDerWaalsContact O-CA 3.23Å; P1132-S1147 WeakPolarHBondContact O-CA 3.39Å; P1132-S1147 WeakPolarHBondContact O-CB 3.35Å; P1132-S1147 PolarHBondContact O-OG 2.91Å; P1132-S1148 PolarHBondContact O-N 3.23Å
1133	I	97.7	Very high	92.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.2	169.8	-63.7	166.5	0	0	0	106.7	A1106 L1112 H1129 S1131 A1146	A1106-I1133 HydrophobicContact CB-CB 3.82Å; A1106-I1133 HydrophobicContact CB-CD1 4.05Å; A1106-I1133 HydrophobicContact CB-CG2 3.45Å; A1106-I1133 VanDerWaalsContact CB-CG2 3.45Å; L1112-I1133 HydrophobicContact CD2-CD1 3.92Å; L1112-I1133 HydrophobicContact CG-CD1 3.91Å; H1129-I1133 HydrophobicContact CB-CG1 4.23Å; S1131-I1133 PolarHBondContact O-N 3.36Å; I1133-A1146 CarbonylContact C-O 3.55Å; I1133-A1146 VanDerWaalsContact CA-O 3.31Å; I1133-A1146 WeakPolarHBondContact CA-O 3.48Å; I1133-A1146 WeakPolarHBondContact CG2-O 3.27Å
1134	N	97.3	Very high	93.1	Very high	40 Å²	40	44 Å²	44	21%	0.214	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-29	-170.5	-56.1	-36.1	0	0	0	112.1	V854 L855 A1146 S1148	V854-N1134 PolarHBondContact O-ND2 3.43Å; L855-N1134 CarbonylContact O-C 3.6Å; L855-N1134 WeakPolarHBondContact O-CB 3.48Å; N1134-A1146 PolarHBondContact N-O 2.84Å; N1134-S1148 PolarHBondContact ND2-N 3.45Å; N1134-S1148 PolarHBondContact ND2-OG 3.11Å; N1134-S1148 PolarHBondContact OD1-OG 2.97Å
1135	A	96.9	Very high	93.8	Very high	17 Å²	17	43.5 Å²	43.5	14%	0.14	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	156.5	177.8	0	0	0	0	0	112.2	L855 V857 A1146	L855-A1135 VanDerWaalsContact O-CB 3.26Å; L855-A1135 WeakPolarHBondContact O-CB 3.47Å; V857-A1135 HydrophobicContact CG2-CB 3.99Å; A1135-A1146 HydrophobicContact CB-CB 4.18Å; A1135-A1146 PolarHBondContact O-N 3.29Å
1136	I	97.3	Very high	94.3	Very high	19 Å²	19	39.1 Å²	39.1	10%	0.097	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.8	166.1	-57.8	166.7	0	0	0	107.7	A1093 A1095 L1104 A1106 L1112 T1138 I1143 F1144 T1145	A1093-I1136 HydrophobicContact CB-CB 4.06Å; A1093-I1136 HydrophobicContact CB-CD1 3.84Å; A1093-I1136 HydrophobicContact CB-CG1 3.61Å; A1095-I1136 HydrophobicContact CB-CB 4.18Å; A1095-I1136 HydrophobicContact CB-CG2 3.53Å; L1104-I1136 HydrophobicContact CD2-CD1 4.1Å; L1104-I1136 HydrophobicContact CD2-CG2 4.33Å; L1104-I1136 HydrophobicContact CG-CD1 4Å; A1106-I1136 HydrophobicContact CB-CD1 3.78Å; A1106-I1136 HydrophobicContact CB-CG1 4.2Å; L1112-I1136 HydrophobicContact CD2-CD1 4.31Å; I1136-T1138 HydrophobicContact CG2-CG2 4.45Å; I1136-I1143 HydrophobicContact CG2-CG2 4.03Å; I1136-F1144 VanDerWaalsContact CA-O 3.28Å; I1136-F1144 WeakPolarHBondContact CA-O 3.48Å; I1136-F1144 WeakPolarHBondContact CG2-O 3.41Å; I1136-T1145 HydrophobicContact CG1-CG2 4.25Å
1137	C	95.7	Very high	94.7	Very high	13 Å²	13	37.9 Å²	37.9	9%	0.088	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	168.8	158.7	71.1	0	0	0	0	110.1	V857 F1144	V857-C1137 HydrophobicContact CG2-CB 4.11Å; C1137-F1144 PolarHBondContact N-O 2.9Å; C1137-F1144 VanDerWaalsContact N-O 3.11Å; C1137-F1144 PolarHBondContact O-N 3.35Å
1138	T	94.6	Very high	95	Very high	50 Å²	50	32.9 Å²	32.9	31%	0.307	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	137.1	-174.6	53.9	0	0	0	0	110.6	A1095 Y1096 I1136 H1142 I1143	A1095-T1138 HydrophobicContact CB-CG2 3.81Å; Y1096-T1138 WeakPolarHBondContact O-CG2 3.3Å; I1136-T1138 HydrophobicContact CG2-CG2 4.45Å; T1138-H1142 WeakPolarHBondContact CA-O 3.45Å; T1138-I1143 HydrophobicContact CG2-CB 4.2Å; T1138-I1143 HydrophobicContact CG2-CG1 3.8Å; T1138-I1143 HydrophobicContact CG2-CG2 4.23Å
1139	N	93	Very high	95.2	Very high	17 Å²	17	34.6 Å²	34.6	9%	0.091	19%	0.189	C	C	.	.			trans	-108.2	-163.3	171.1	75.6	8.1	0	0	0	110.2	A859 T860 D861 P1098 R1141 H1142 F1144	A859-N1139 HydrophobicContact CB-CB 4.49Å; T860-N1139 WeakPolarHBondContact O-CB 3.41Å; T860-N1139 PolarHBondContact O-ND2 3.23Å; D861-N1139 WeakPolarHBondContact OD1-CB 3.4Å; P1098-N1139 WeakPolarHBondContact CB-O 3.49Å; P1098-N1139 WeakPolarHBondContact CG-O 3.49Å; N1139-R1141 PolarHBondContact O-N 3Å; N1139-R1141 PolarHBondContact OD1-N 2.76Å; N1139-H1142 PolarHBondContact N-O 3.49Å; N1139-H1142 PolarHBondContact OD1-N 3.01Å; N1139-H1142 PolarHBondContact OD1-O 3.31Å; N1139-F1144 HydrophobicContact CB-CE2 4.15Å
1140	S	90.1	Very high	95.3	Very high	74 Å²	74	36.3 Å²	36.3	52%	0.517	20%	0.201	S	C	.	.	S	Bend	trans	-68.9	-14.5	-176.6	81.6	0	0	0	0	114.6	D861	D861-S1140 WeakPolarHBondContact OD1-CB 3.39Å; D861-S1140 PolarHBondContact OD1-N 3.45Å; D861-S1140 PolarHBondContact OD1-OG 3.44Å; D861-S1140 VanDerWaalsContact OD1-OG 3.09Å; D861-S1140 WeakPolarHBondContact OD2-CB 3.48Å; D861-S1140 PolarHBondContact OD2-OG 3.46Å
1141	R	87.1	Confident	95.4	Very high	173 Å²	173	35.1 Å²	35.1	65%	0.653	19%	0.187	S	C	*	.	S	Bend	trans	-127.4	-31.2	-170.9	-61.7	171.5	-162.6	179.1	4.5	114.5	N1139	N1139-R1141 PolarHBondContact O-N 3Å; N1139-R1141 PolarHBondContact OD1-N 2.76Å
1142	H	92	Very high	95.5	Very high	51 Å²	51	33.4 Å²	33.4	24%	0.236	18%	0.175	C	C	.	.			trans	-131.5	151.8	-163.8	-60.5	-55	0	0	0	112.4	T1138 N1139 F1144 N1156	T1138-H1142 WeakPolarHBondContact CA-O 3.45Å; N1139-H1142 PolarHBondContact N-O 3.49Å; N1139-H1142 PolarHBondContact OD1-N 3.01Å; N1139-H1142 PolarHBondContact OD1-O 3.31Å; H1142-F1144 HydrophobicContact CB-CE2 3.93Å; H1142-F1144 HydrophobicContact CB-CZ 3.89Å; H1142-N1156 PolarHBondContact CE1-OD1 2.84Å; H1142-N1156 VanDerWaalsContact CE1-OD1 3.28Å; H1142-N1156 PolarHBondContact ND1-OD1 2.74Å
1143	I	95.4	Very high	95.4	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.015	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.5	169.9	-62.5	155.1	0	0	0	108.2	L841 V1097 L1104 I1136 T1138 T1145 L1154 W1155	L841-I1143 HydrophobicContact CD2-CD1 3.66Å; V1097-I1143 HydrophobicContact CG1-CD1 4.26Å; V1097-I1143 HydrophobicContact CG2-CD1 4.27Å; L1104-I1143 HydrophobicContact CD2-CD1 4.33Å; L1104-I1143 HydrophobicContact CD2-CG2 3.46Å; L1104-I1143 VanDerWaalsContact CD2-CG2 3.46Å; I1136-I1143 HydrophobicContact CG2-CG2 4.03Å; T1138-I1143 HydrophobicContact CG2-CB 4.2Å; T1138-I1143 HydrophobicContact CG2-CG1 3.8Å; T1138-I1143 HydrophobicContact CG2-CG2 4.23Å; I1143-T1145 HydrophobicContact CG2-CG2 4.29Å; I1143-L1154 CarbonylContact O-C 3.56Å; I1143-L1154 WeakPolarHBondContact O-CA 3.48Å; I1143-W1155 HydrophobicContact CB-CB 4.23Å; I1143-W1155 PolarHBondContact N-O 3.16Å; I1143-W1155 PolarHBondContact O-N 2.86Å
1144	F	97.2	Very high	95.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.5	179.3	-56.4	-93.4	0	0	0	109.5	A859 L864 L878 I1136 C1137 N1139 H1142 V1152 K1153 L1154	A859-F1144 HydrophobicContact CB-CD2 3.65Å; A859-F1144 HydrophobicContact CB-CE2 3.44Å; A859-F1144 VanDerWaalsContact CB-CE2 3.44Å; A859-F1144 HydrophobicContact CB-CG 4.31Å; A859-F1144 HydrophobicContact CB-CZ 3.94Å; L864-F1144 HydrophobicContact CD1-CD1 3.84Å; L864-F1144 HydrophobicContact CD1-CE1 4.23Å; L864-F1144 HydrophobicContact CD1-CG 4.23Å; L864-F1144 HydrophobicContact CD2-CD1 4.04Å; L864-F1144 HydrophobicContact CD2-CE1 4.16Å; L878-F1144 HydrophobicContact CD1-CE1 4.35Å; L878-F1144 HydrophobicContact CD1-CZ 3.88Å; L878-F1144 HydrophobicContact CD2-CE1 3.72Å; L878-F1144 HydrophobicContact CD2-CZ 4.07Å; I1136-F1144 VanDerWaalsContact CA-O 3.28Å; I1136-F1144 WeakPolarHBondContact CA-O 3.48Å; I1136-F1144 WeakPolarHBondContact CG2-O 3.41Å; C1137-F1144 PolarHBondContact N-O 2.9Å; C1137-F1144 VanDerWaalsContact N-O 3.11Å; C1137-F1144 PolarHBondContact O-N 3.35Å; N1139-F1144 HydrophobicContact CB-CE2 4.15Å; H1142-F1144 HydrophobicContact CB-CE2 3.93Å; H1142-F1144 HydrophobicContact CB-CZ 3.89Å; F1144-V1152 HydrophobicContact CB-CG1 4.11Å; F1144-V1152 HydrophobicContact CD1-CG1 4.5Å; F1144-K1153 WeakPolarHBondContact CA-O 3.36Å; F1144-L1154 HydrophobicContact CD1-CD1 4.2Å; F1144-L1154 HydrophobicContact CD1-CD2 4.41Å; F1144-L1154 HydrophobicContact CD1-CG 3.74Å; F1144-L1154 HydrophobicContact CE1-CD1 4.33Å; F1144-L1154 HydrophobicContact CE1-CD2 3.78Å; F1144-L1154 HydrophobicContact CE1-CG 3.61Å
1145	T	97.8	Very high	95.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.6	177	64.2	0	0	0	0	110.6	L1112 H1129 I1136 I1143 V1152 K1153 W1155	L1112-T1145 HydrophobicContact CD1-CG2 4.09Å; L1112-T1145 HydrophobicContact CD2-CG2 4.09Å; H1129-T1145 PolarHBondContact NE2-O 3.4Å; H1129-T1145 PolarHBondContact NE2-OG1 2.99Å; I1136-T1145 HydrophobicContact CG1-CG2 4.25Å; I1143-T1145 HydrophobicContact CG2-CG2 4.29Å; T1145-V1152 VanDerWaalsContact O-CA 3.31Å; T1145-V1152 WeakPolarHBondContact O-CA 3.33Å; T1145-K1153 PolarHBondContact N-O 2.96Å; T1145-K1153 PolarHBondContact O-N 2.72Å; T1145-W1155 PolarHBondContact OG1-NE1 2.99Å
1146	A	97.8	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.9	-179.2	0	0	0	0	0	111	V854 V857 I1133 N1134 A1135 V1152	V854-A1146 HydrophobicContact CB-CB 4.26Å; V854-A1146 HydrophobicContact CG1-CB 3.97Å; V857-A1146 HydrophobicContact CB-CB 4.46Å; V857-A1146 HydrophobicContact CG1-CB 3.68Å; V857-A1146 HydrophobicContact CG2-CB 4Å; I1133-A1146 CarbonylContact C-O 3.55Å; I1133-A1146 VanDerWaalsContact CA-O 3.31Å; I1133-A1146 WeakPolarHBondContact CA-O 3.48Å; I1133-A1146 WeakPolarHBondContact CG2-O 3.27Å; N1134-A1146 PolarHBondContact N-O 2.84Å; A1135-A1146 HydrophobicContact CB-CB 4.18Å; A1135-A1146 PolarHBondContact O-N 3.29Å; A1146-V1152 HydrophobicContact CB-CG2 4.39Å
1147	S	97.8	Very high	94	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	160.8	-175.5	-177.5	0	0	0	0	114.8	V854 H1129 S1131 P1132 D1149 C1150 R1151	V854-S1147 PolarHBondContact N-O 3.15Å; V854-S1147 VanDerWaalsContact N-O 3.16Å; H1129-S1147 WeakPolarHBondContact CB-OG 3.39Å; H1129-S1147 VanDerWaalsContact CE1-CB 3.4Å; H1129-S1147 WeakPolarHBondContact CE1-CB 3.49Å; H1129-S1147 VanDerWaalsContact CG-CB 3.47Å; H1129-S1147 WeakPolarHBondContact ND1-CB 3.45Å; S1131-S1147 PolarHBondContact O-OG 3.07Å; P1132-S1147 CarbonylContact O-C 3.28Å; P1132-S1147 VanDerWaalsContact O-CA 3.23Å; P1132-S1147 WeakPolarHBondContact O-CA 3.39Å; P1132-S1147 WeakPolarHBondContact O-CB 3.35Å; P1132-S1147 PolarHBondContact O-OG 2.91Å; S1147-D1149 VanDerWaalsContact CB-OD1 3.3Å; S1147-D1149 WeakPolarHBondContact CB-OD1 3.49Å; S1147-D1149 PolarHBondContact O-N 3.49Å; S1147-D1149 PolarHBondContact OG-N 3.38Å; S1147-C1150 PolarHBondContact O-N 3.27Å; S1147-R1151 PolarHBondContact N-O 3.44Å; S1147-R1151 VanDerWaalsContact N-O 3.16Å
1148	S	97.3	Very high	93.1	Very high	33 Å²	33	36.6 Å²	36.6	23%	0.231	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-5.3	172	-60.5	0	0	0	0	114.3	P1132 N1134 C1150	P1132-S1148 PolarHBondContact O-N 3.23Å; N1134-S1148 PolarHBondContact ND2-N 3.45Å; N1134-S1148 PolarHBondContact ND2-OG 3.11Å; N1134-S1148 PolarHBondContact OD1-OG 2.97Å; S1148-C1150 PolarHBondContact O-N 3.05Å
1149	D	94.8	Very high	91.5	Very high	37 Å²	37	38 Å²	38	20%	0.198	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	9.5	165.3	70.4	-0.2	0	0	0	113.8	H1129 S1147 R1151	H1129-D1149 IonicContact CE1-OD1 3.94Å; H1129-D1149 IonicContact CE1-OD2 2.81Å; H1129-D1149 IonicContact CG-OD2 3.78Å; H1129-D1149 VanDerWaalsContact ND1-CG 3.3Å; H1129-D1149 IonicContact ND1-OD1 3.52Å; H1129-D1149 PolarHBondContact ND1-OD1 2.93Å; H1129-D1149 IonicContact ND1-OD2 3.03Å; H1129-D1149 PolarHBondContact ND1-OD2 3.32Å; S1147-D1149 VanDerWaalsContact CB-OD1 3.3Å; S1147-D1149 WeakPolarHBondContact CB-OD1 3.49Å; S1147-D1149 PolarHBondContact O-N 3.49Å; S1147-D1149 PolarHBondContact OG-N 3.38Å; D1149-R1151 VanDerWaalsContact C-N 3.27Å; D1149-R1151 PolarHBondContact O-N 3.44Å; D1149-R1151 VanDerWaalsContact OD1-CB 3.3Å; D1149-R1151 WeakPolarHBondContact OD1-CB 3.45Å; D1149-R1151 PolarHBondContact OD1-N 2.98Å; D1149-R1151 VanDerWaalsContact OD1-N 3.09Å; D1149-R1151 WeakPolarHBondContact OD2-CD 3.49Å
1150	C	95.8	Very high	89.6	Confident	36 Å²	36	40.7 Å²	40.7	24%	0.243	22%	0.224	C	C	.	.	S	Bend	trans	68.1	17.3	-179.4	-47.2	0	0	0	0	114.6	K852 S1147 S1148	K852-C1150 WeakPolarHBondContact CA-SG 3.47Å; S1147-C1150 PolarHBondContact O-N 3.27Å; S1148-C1150 PolarHBondContact O-N 3.05Å
1151	R	94.9	Very high	87.8	Confident	94 Å²	94	39.4 Å²	39.4	36%	0.355	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	158.4	-175.2	-57.9	151.8	179.2	-93.1	-23.7	111.6	V846 E848 S1147 D1149	V846-R1151 HydrophobicContact CG1-CB 3.82Å; V846-R1151 HydrophobicContact CG1-CG 4.11Å; E848-R1151 HydrophobicContact CG-CG 4.35Å; E848-R1151 IonicContact OE1-CZ 2.73Å; E848-R1151 IonicContact OE1-NH1 2.77Å; E848-R1151 PolarHBondContact OE1-NH1 3.1Å; E848-R1151 IonicContact OE1-NH2 2.71Å; E848-R1151 PolarHBondContact OE1-NH2 3.19Å; S1147-R1151 PolarHBondContact N-O 3.44Å; S1147-R1151 VanDerWaalsContact N-O 3.16Å; D1149-R1151 VanDerWaalsContact C-N 3.27Å; D1149-R1151 PolarHBondContact O-N 3.44Å; D1149-R1151 VanDerWaalsContact OD1-CB 3.3Å; D1149-R1151 WeakPolarHBondContact OD1-CB 3.45Å; D1149-R1151 PolarHBondContact OD1-N 2.98Å; D1149-R1151 VanDerWaalsContact OD1-N 3.09Å; D1149-R1151 WeakPolarHBondContact OD2-CD 3.49Å
1152	V	97.2	Very high	85.6	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.7	161.9	-177.1	0	0	0	0	108.6	V846 A847 V854 V857 T866 F1144 T1145 A1146	V846-V1152 CarbonylContact C-O 3.54Å; V846-V1152 WeakPolarHBondContact CA-O 3.31Å; A847-V1152 HydrophobicContact CB-CB 4.17Å; A847-V1152 PolarHBondContact N-O 3.25Å; A847-V1152 PolarHBondContact O-N 3.26Å; V854-V1152 HydrophobicContact CB-CG2 4.37Å; V854-V1152 HydrophobicContact CG1-CG2 3.89Å; V854-V1152 HydrophobicContact CG2-CG2 4.32Å; V857-V1152 HydrophobicContact CG1-CG1 4.09Å; V857-V1152 HydrophobicContact CG1-CG2 3.77Å; T866-V1152 HydrophobicContact CG2-CG2 3.8Å; F1144-V1152 HydrophobicContact CB-CG1 4.11Å; F1144-V1152 HydrophobicContact CD1-CG1 4.5Å; T1145-V1152 VanDerWaalsContact O-CA 3.31Å; T1145-V1152 WeakPolarHBondContact O-CA 3.33Å; A1146-V1152 HydrophobicContact CB-CG2 4.39Å
1153	K	95.9	Very high	83.1	Confident	35 Å²	35	35 Å²	35	15%	0.152	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.7	176.7	-72.8	179.2	-169.7	176.8	0	110.8	V846 G1128 H1129 F1144 T1145 W1155	V846-K1153 HydrophobicContact CG1-CG 4.19Å; V846-K1153 HydrophobicContact CG2-CG 4.23Å; G1128-K1153 WeakPolarHBondContact O-CD 3.48Å; G1128-K1153 PolarHBondContact O-NZ 3.19Å; H1129-K1153 WeakPolarHBondContact ND1-CE 3.32Å; F1144-K1153 WeakPolarHBondContact CA-O 3.36Å; T1145-K1153 PolarHBondContact N-O 2.96Å; T1145-K1153 PolarHBondContact O-N 2.72Å; K1153-W1155 HydrophobicContact CB-CZ2 4.04Å; K1153-W1155 HydrophobicContact CD-CH2 4.5Å; K1153-W1155 HydrophobicContact CD-CZ2 3.75Å; K1153-W1155 PolarHBondContact O-NE1 3.29Å
1154	L	95.1	Very high	80.1	Confident	10 Å²	10	40.8 Å²	40.8	5%	0.052	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128	176.2	-72.2	73.1	0	0	0	108.5	I827 C843 V844 S845 L878 I1143 F1144	I827-L1154 HydrophobicContact CG2-CD1 4.14Å; I827-L1154 HydrophobicContact CG2-CD2 4.3Å; C843-L1154 CarbonylContact C-O 3.52Å; C843-L1154 WeakPolarHBondContact CA-O 3.24Å; C843-L1154 PolarHBondContact SG-O 2.89Å; V844-L1154 PolarHBondContact N-O 3.39Å; S845-L1154 PolarHBondContact O-N 3.1Å; L878-L1154 HydrophobicContact CD2-CD2 4.17Å; I1143-L1154 CarbonylContact O-C 3.56Å; I1143-L1154 WeakPolarHBondContact O-CA 3.48Å; F1144-L1154 HydrophobicContact CD1-CD1 4.2Å; F1144-L1154 HydrophobicContact CD1-CD2 4.41Å; F1144-L1154 HydrophobicContact CD1-CG 3.74Å; F1144-L1154 HydrophobicContact CE1-CD1 4.33Å; F1144-L1154 HydrophobicContact CE1-CD2 3.78Å; F1144-L1154 HydrophobicContact CE1-CG 3.61Å
1155	W	92.9	Very high	77.1	Confident	12 Å²	12	46.4 Å²	46.4	5%	0.045	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.7	-176.4	-49.8	77	0	0	0	112.2	L841 Q842 C843 L1112 G1128 I1143 T1145 K1153	L841-W1155 HydrophobicContact CB-CE3 4.06Å; Q842-W1155 WeakPolarHBondContact O-CA 3.33Å; C843-W1155 HydrophobicContact CB-CD2 3.97Å; C843-W1155 HydrophobicContact CB-CE3 3.69Å; C843-W1155 HydrophobicContact CB-CH2 3.97Å; C843-W1155 HydrophobicContact CB-CZ2 4.25Å; C843-W1155 HydrophobicContact CB-CZ3 3.7Å; C843-W1155 VanDerWaalsContact N-CE3 3.28Å; L1112-W1155 HydrophobicContact CD1-CH2 4.37Å; L1112-W1155 HydrophobicContact CD1-CZ2 3.96Å; G1128-W1155 WeakPolarHBondContact O-CZ2 3.31Å; I1143-W1155 HydrophobicContact CB-CB 4.23Å; I1143-W1155 PolarHBondContact N-O 3.16Å; I1143-W1155 PolarHBondContact O-N 2.86Å; T1145-W1155 PolarHBondContact OG1-NE1 2.99Å; K1153-W1155 HydrophobicContact CB-CZ2 4.04Å; K1153-W1155 HydrophobicContact CD-CH2 4.5Å; K1153-W1155 HydrophobicContact CD-CZ2 3.75Å; K1153-W1155 PolarHBondContact O-NE1 3.29Å
1156	N	88.9	Confident	74	Confident	55 Å²	55	51.1 Å²	51.1	29%	0.294	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.2	164.8	-75.1	10.1	0	0	0	109.7	L841 Q842 V844 H1142	L841-N1156 WeakPolarHBondContact CA-O 3.42Å; Q842-N1156 PolarHBondContact N-O 2.65Å; Q842-N1156 PolarHBondContact O-N 3.18Å; V844-N1156 HydrophobicContact CG2-CB 3.87Å; H1142-N1156 PolarHBondContact CE1-OD1 2.84Å; H1142-N1156 VanDerWaalsContact CE1-OD1 3.28Å; H1142-N1156 PolarHBondContact ND1-OD1 2.74Å
1157	Y	83.2	Confident	71	Confident	44 Å²	44	62.4 Å²	62.4	17%	0.173	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.9	163.2	-175.4	-80.5	0	0	0	110	P840 L841 V1097 M1102 V1114 P1159	P840-Y1157 HydrophobicContact CB-CE2 3.97Å; P840-Y1157 WeakPolarHBondContact O-CA 3.32Å; L841-Y1157 HydrophobicContact CD2-CD2 4.13Å; V1097-Y1157 HydrophobicContact CG1-CD2 4.13Å; V1097-Y1157 HydrophobicContact CG1-CG 4.1Å; M1102-Y1157 HydrophobicContact SD-CD2 4.34Å; M1102-Y1157 HydrophobicContact SD-CE2 3.52Å; M1102-Y1157 VanDerWaalsContact SD-CE2 3.52Å; V1114-Y1157 HydrophobicContact CG1-CE2 4.48Å; Y1157-P1159 HydrophobicContact CD1-CG 4.29Å; Y1157-P1159 HydrophobicContact CE1-CG 4.19Å
1158	V	75.4	Confident	68.2	Low	42 Å²	42	73 Å²	73	26%	0.255	39%	0.39	S	S	.	.			trans	-114.2	108.3	-178.5	-177.3	0	0	0	0	109.9	P840 Q842 L1161	P840-V1158 PolarHBondContact O-N 2.86Å; Q842-V1158 HydrophobicContact CB-CG2 3.98Å; V1158-L1161 HydrophobicContact CB-CD1 4.42Å; V1158-L1161 HydrophobicContact CG1-CD1 4.03Å; V1158-L1161 HydrophobicContact CG1-CG 4.33Å
1159	P	61.6	Low	65.4	Low	79 Å²	79	76.3 Å²	76.3	51%	0.513	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	149.1	178	-24.5	35.1	0	0	0	113.5	Y1157 L1161	Y1157-P1159 HydrophobicContact CD1-CG 4.29Å; Y1157-P1159 HydrophobicContact CE1-CG 4.19Å; P1159-L1161 VanDerWaalsContact C-N 3.28Å; P1159-L1161 PolarHBondContact O-N 3.3Å
1160	G	54.3	Low	62.5	Low	73 Å²	73	81.5 Å²	81.5	75%	0.753	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-13.6	174.7	0	0	0	0	0	115.7	T1162	G1160-T1162 VanDerWaalsContact C-N 3.31Å; G1160-T1162 PolarHBondContact O-N 3.37Å
1161	L	50.6	Low	59.7	Low	47 Å²	47	83.4 Å²	83.4	25%	0.246	45%	0.453	C	S	.	.			trans	-88	66.4	169.9	-65.3	-176.9	0	0	0	111.2	R837 A839 P840 V1158 P1159	R837-L1161 HydrophobicContact CB-CD2 4.02Å; A839-L1161 CarbonylContact C-O 3.52Å; A839-L1161 WeakPolarHBondContact O-CB 3.37Å; P840-L1161 WeakPolarHBondContact CA-O 3.43Å; V1158-L1161 HydrophobicContact CB-CD1 4.42Å; V1158-L1161 HydrophobicContact CG1-CD1 4.03Å; V1158-L1161 HydrophobicContact CG1-CG 4.33Å; P1159-L1161 VanDerWaalsContact C-N 3.28Å; P1159-L1161 PolarHBondContact O-N 3.3Å
1162	T	40.8	Very low	57.1	Low	104 Å²	104	85.6 Å²	85.6	64%	0.638	47%	0.471	S	S	*	.			trans	-64.5	127.9	167.7	40.1	0	0	0	0	109.7	G1160	G1160-T1162 VanDerWaalsContact C-N 3.31Å; G1160-T1162 PolarHBondContact O-N 3.37Å
1163	P	39.8	Very low	54.1	Low	29 Å²	29	94.7 Å²	94.7	19%	0.188	51%	0.51	C	S	.	.			trans	-64	141.6	165.4	28	-26.7	0	0	0	107.2	I1123 L1165	I1123-P1163 WeakPolarHBondContact O-CG 3.42Å; P1163-L1165 PolarHBondContact O-N 2.98Å
1164	C	32.7	Very low	51	Low	123 Å²	123	96.4 Å²	96.4	83%	0.831	54%	0.537	S	S	*	.			trans	-68	91.6	-162	54.1	0	0	0	0	113.5
1165	L	33.8	Very low	48.1	Very low	119 Å²	119	107.1 Å²	107.1	62%	0.623	58%	0.577	S	S	*	*			trans	-50	129.7	156.4	-75.8	174.1	0	0	0	108.2	P1163 R1167	P1163-L1165 PolarHBondContact O-N 2.98Å; L1165-R1167 PolarHBondContact O-N 2.9Å
1166	P	34.3	Very low	45.4	Very low	98 Å²	98	110.7 Å²	110.7	64%	0.636	61%	0.609	S	S	*	*			trans	-60	128	179.7	23	-32.1	0	0	0	109.6	R1168 V1169	P1166-R1168 PolarHBondContact O-N 3.19Å; P1166-V1169 PolarHBondContact O-N 2.82Å
1167	R	34.6	Very low	42.9	Very low	238 Å²	238	114.7 Å²	114.7	90%	0.898	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	-0.9	-169.1	-90.5	-179	166.7	174.6	-5.1	117.3	L1165	L1165-R1167 PolarHBondContact O-N 2.9Å
1168	R	37.7	Very low	40.7	Very low	223 Å²	223	117.6 Å²	117.6	84%	0.842	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-25.3	178.5	-76.2	-175.5	167.5	179.1	-4.4	114.7	P1166	P1166-R1168 PolarHBondContact O-N 3.19Å
1169	V	38.4	Very low	38.5	Very low	101 Å²	101	123.7 Å²	123.7	61%	0.612	69%	0.693	S	S	*	*	S	Bend	trans	-80.5	-43.3	-173.2	-174.6	0	0	0	0	112.7	P1166 A1171	P1166-V1169 PolarHBondContact O-N 2.82Å; V1169-A1171 VanDerWaalsContact C-N 3.25Å; V1169-A1171 PolarHBondContact O-N 3.37Å
1170	L	35	Very low	37.6	Very low	146 Å²	146	129.4 Å²	129.4	76%	0.764	73%	0.73	S	S	*	*	H	α-helix	trans	-69.9	-18.1	-177.7	-76.3	166.3	0	0	0	114	I1172	L1170-I1172 VanDerWaalsContact C-N 3.29Å; L1170-I1172 PolarHBondContact O-N 3.26Å
1171	A	36.1	Very low	36.7	Very low	76 Å²	76	132.2 Å²	132.2	63%	0.628	73%	0.729	S	S	*	*	H	α-helix	trans	-72.8	-15.4	-177.4	0	0	0	0	0	114.6	V1169	V1169-A1171 VanDerWaalsContact C-N 3.25Å; V1169-A1171 PolarHBondContact O-N 3.37Å
1172	I	40.9	Very low	36	Very low	141 Å²	141	136.7 Å²	136.7	72%	0.723	75%	0.754	S	S	*	*	H	α-helix	trans	-93.8	-30.4	-174.1	-65.9	165.3	0	0	0	112.2	L1170	L1170-I1172 VanDerWaalsContact C-N 3.29Å; L1170-I1172 PolarHBondContact O-N 3.26Å
1173	K	33.4	Very low	35.8	Very low	193 Å²	193	138.5 Å²	138.5	84%	0.839	76%	0.76	S	S	*	*	H	α-helix	trans	-82.1	-13.2	-177.5	-129.7	178.2	-176.8	-176.6	0	114.3	R1175	K1173-R1175 PolarHBondContact O-N 2.99Å
1174	G	31.4	Very low	35.5	Very low	71 Å²	71	144.9 Å²	144.9	73%	0.732	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	24.7	-176.9	0	0	0	0	0	116.1
1175	R	34.2	Very low	35.7	Very low	236 Å²	236	146.3 Å²	146.3	89%	0.891	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.2	12.2	-175.1	-126.1	-176.8	-166.5	-158.7	2.5	116.1	K1173	K1173-R1175 PolarHBondContact O-N 2.99Å
1176	A	36.8	Very low	35.8	Very low	86 Å²	86	148.1 Å²	148.1	71%	0.711	80%	0.803	S	S	*	*	S	Bend	trans	-142.7	59.9	-176.3	0	0	0	0	0	112
1177	T	36.2	Very low	35.9	Very low	140 Å²	140	151.7 Å²	151.7	86%	0.859	82%	0.815	S	S	*	*			trans	-175.3	84.4	160.4	11.2	0	0	0	0	109.3
1178	S	36	Very low	36	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	81%	0.809	S	S	*	*			trans	-157.9	120.9	167.4	60.2	0	0	0	0	110.3
1179	L	29.2	Very low	35.9	Very low	169 Å²	169	138.6 Å²	138.6	89%	0.885	81%	0.806	S	S	*	*			trans	74.7	140.8	175.8	-53.8	167.6	0	0	0	117.2
1180	P	42.9	Very low	35.7	Very low	199 Å²	199	142 Å²	142	100%	1.292	82%	0.823	S	S	*	*			cis	-92.4	0	-27.4	33.7	-24.3	0	0	0	111.7

Retrieved 1,180 of 1,180 residues in 1268.1 ms (Link to these results)

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