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PAN2-PAN3 deadenylation complex subunit PAN3

Decreases PAN2-mediated deadenylation, possibly by preventing progression into the second CCR4-NOT mediated stage of biphasic deadenylation. Has a significant effect on mRNA stability, generally stabilizing a subset of the transcriptome. Stabilizes mRNAs degraded by the AU-rich element (ARE)-mediated mRNA decay pathway but promotes degradation of mRNAs by the microRNA-mediated pathway. Its activity influences mRNP remodeling, specifically reducing formation of a subset of P-bodies containing GW220, an isoform of TNRC6A. Enhances PAN2 deadenylase activity and has an extensive effect on mRNA stability, generally enhancing mRNA decay across the transcriptome by multiple pathways, including the AU-rich element (ARE)-mediated pathway, microRNA-mediated pathway and the nonsense-mediated pathway (NMD). Its activity is required for efficient P-body formation. May be involved in regulating mRNAs of genes involved in cell cycle progression and cell proliferation. Regulatory subunit of the poly(A)-nuclease (PAN) deadenylation complex, one of two cytoplasmic mRNA deadenylases involved in general and miRNA-mediated mRNA turnover. PAN specifically shortens poly(A) tails of RNA and the activity is stimulated by poly(A)-binding protein (PABP). PAN deadenylation is followed by rapid degradation of the shortened mRNA tails by the CCR4-NOT complex. Deadenylated mRNAs are then degraded by two alternative mechanisms, namely exosome-mediated 3'-5' exonucleolytic degradation, or deadenlyation-dependent mRNA decaping and subsequent 5'-3' exonucleolytic degradation by XRN1. PAN3 acts as a positive regulator for PAN activity, recruiting the catalytic subunit PAN2 to mRNA via its interaction with RNA and PABP, and to miRNA targets via its interaction with GW182 family proteins. Regulatory subunit of the poly(A)-nuclease (PAN) deadenylation complex, one of two cytoplasmic mRNA deadenylases involved in general and miRNA-mediated mRNA turnover. PAN specifically shortens poly(A) tails of RNA and the activity is stimulated by poly(A)-binding protein (PABP). PAN deadenylation is followed by rapid degradation of the shortened mRNA tails by the CCR4-NOT complex. Deadenylated mRNAs are then degraded by two alternative mechanisms, namely exosome-mediated 3'-5' exonucleolytic degradation, or deadenylation-dependent mRNA decapping and subsequent 5'-3' exonucleolytic degradation by XRN1. PAN3 acts as a regulator for PAN activity, recruiting the catalytic subunit PAN2 to mRNA via its interaction with RNA and PABP, and to miRNA targets via its interaction with GW182 family proteins.

AlphaFold DB (A0A2I3M9P6), UniProt , Accession A0A096MWQ1, Species PAPAN (Papio anubis, Olive baboon), Gene PAN3, Length 887 aa.

						>A0A096MWQ1_PAPAN|A0A096MWQ1|PAN3
MNSGGGLPPPSAAASPSSSSLAAAVAVVAPPGVGGVPGGAAVGVKLKYCRYYAKDKTCFYGEECQFLHEDPAAGAAPGLGLHSNSVPLALAGAPVAGFPPGAVPGGGAGPPPGPKKPDLGDPGTGAAAGGGGSSGGLDGPRLAIPGMDGGALTDTSLTDSYFSTSFIGVNGFGSPVETKYPLMQRMTNSSSSPSLLNDSAKPYSGHDPLTSPASSLFNDFGALNISQRRKPRKYRLGMLEERLVPMGSKARKAKNPIGCLADRCKSGVPINMVWWNRVTENNLQTPNPTASEFIPKGGSTSRLSNVSQSNMSAFSQVFSHPSMGSPATAGLAPGMSLSAGSSPLHSPKITPHTSPAPRRRSHTPNPASYMVPSSASTSVNNPVSQTPSSGQVIQKETVGGTTYFYTDTTPAPLTGMVFPNYHIYPPTAPHVAYMQPKANAPSFFMADELRQELINRHLITMAQIDQADMPAVPTEVDSYHSLFPLEPLPPPNRIQKSSNFGYITSCYKAVNSKDDLPYCLRRIHGFRLVNTKCMVLVDMWKKIQHSNIVTLREVFTTKAFAEPSLVFAYDFHAGGETMMSRHFNDPNADAYFTKRKWGQHDGPLPRQHAGLLPESLIWAYIVQLSSALRTIHTAGLACRVMDPTKILITGKTRLRVNCVGVFDVLTFDNSQNNNPLALMAQYQQADLISLGKVVLALACNSLAGIQRENLQKAMELVTINYSSDLKNLILYLLTDQNRMRSVNDIMPMIGARFYTQLDAAQMRNDVIEEDLAKEVQNGRLFRLLAKLGTINERPEFQKDPTWSETGDRYLLKLFRDHLFHQVTEAGAPWIDLSHIISCLNKLDAGVPEKISLISRDEKSVLVVTYSDLKRCFENTFQELIAAANGQL
					

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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	38.3	Very low	31.7	Very low	224 Å²	224	125.3 Å²	125.3	100%	1.103	84%	0.839	S	S	*	*				0	82.9	0	-61.8	159.2	98.6	0	0	105.6
2	N	28.2	Very low	31.3	Very low	152 Å²	152	122.9 Å²	122.9	81%	0.813	84%	0.836	S	S	*	*				70.1	135	52.6	-56.4	40.8	0	0	0	111.7
3	S	31.6	Very low	30.9	Very low	116 Å²	116	120.8 Å²	120.8	81%	0.811	83%	0.832	S	S	*	*			cis	-166.9	165.1	-13.6	-81.2	0	0	0	0	108.3
4	G	29.8	Very low	30.6	Very low	79 Å²	79	119.3 Å²	119.3	81%	0.814	83%	0.831	S	S	*	*			cis	147.3	103.9	-8.3	0	0	0	0	0	114
5	G	28.2	Very low	30.7	Very low	87 Å²	87	119.2 Å²	119.2	90%	0.897	83%	0.831	S	S	*	*			trans	108.5	160.4	177	0	0	0	0	0	114.9
6	G	27.6	Very low	30.7	Very low	71 Å²	71	119.5 Å²	119.5	73%	0.732	83%	0.829	S	S	*	*			cis	161.2	135.7	-12.2	0	0	0	0	0	115.7
7	L	30.3	Very low	30.5	Very low	174 Å²	174	119 Å²	119	91%	0.911	83%	0.826	S	S	*	*			trans	75.5	170.6	162.4	-49.3	176.9	0	0	0	116.6
8	P	39.6	Very low	30.4	Very low	110 Å²	110	119.4 Å²	119.4	71%	0.714	83%	0.83	S	S	*	*				-139.3	176.2	-99.3	35.8	-12.8	0	0	0	116.8
9	P	31.4	Very low	30.3	Very low	118 Å²	118	119.2 Å²	119.2	77%	0.766	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-89.4	145.4	164.6	34.9	-32.5	0	0	0	112.7
10	P	34.6	Very low	30.2	Very low	128 Å²	128	119.1 Å²	119.1	83%	0.831	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-85.8	147.6	179.7	32.8	-34.5	0	0	0	114.7
11	S	28.8	Very low	30.1	Very low	119 Å²	119	121.9 Å²	121.9	83%	0.832	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-90.8	167.3	163.2	-68.2	0	0	0	0	110.4
12	A	27.1	Very low	29.5	Very low	97 Å²	97	115.8 Å²	115.8	80%	0.802	82%	0.818	S	S	*	*			cis	-169.1	158.6	-23	0	0	0	0	0	108.7
13	A	26	Very low	29.5	Very low	96 Å²	96	113.4 Å²	113.4	79%	0.793	82%	0.819	S	S	*	*			trans	-155	99.6	162.6	0	0	0	0	0	108.8
14	A	26.8	Very low	29.2	Very low	99 Å²	99	112.8 Å²	112.8	82%	0.818	82%	0.821	S	S	*	*				77	73.8	83.1	0	0	0	0	0	113.8
15	S	31.7	Very low	29.1	Very low	118 Å²	118	116 Å²	116	83%	0.825	82%	0.824	S	S	*	*			trans	-75.7	160.5	155.3	-45.1	0	0	0	0	110.3
16	P	31.7	Very low	29	Very low	124 Å²	124	116 Å²	116	81%	0.805	82%	0.816	S	S	*	*				-138.7	165.6	119.1	37	-26	0	0	0	114.8
17	S	27	Very low	29	Very low	111 Å²	111	119.5 Å²	119.5	78%	0.776	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-64.1	146.1	177.3	50.8	0	0	0	0	114.4
18	S	27.8	Very low	28.8	Very low	127 Å²	127	117.7 Å²	117.7	89%	0.888	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-86.8	119.2	166	43.5	0	0	0	0	112
19	S	28.5	Very low	28.2	Very low	114 Å²	114	116.4 Å²	116.4	80%	0.797	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-99.5	153.5	166.9	51.8	0	0	0	0	111
20	S	29.2	Very low	28.5	Very low	118 Å²	118	116.6 Å²	116.6	83%	0.825	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-72.8	145.7	-179.3	47.9	0	0	0	0	113.1
21	L	27.4	Very low	28.6	Very low	178 Å²	178	116.7 Å²	116.7	93%	0.932	82%	0.82	S	S	*	*			trans	-154	156.2	158.1	-113.3	167.3	0	0	0	110.6
22	A	25.6	Very low	28.5	Very low	96 Å²	96	114.8 Å²	114.8	79%	0.793	82%	0.818	S	S	*	*			trans	-87.5	159.7	-175.1	0	0	0	0	0	112.6
23	A	28.6	Very low	28.6	Very low	101 Å²	101	117.8 Å²	117.8	84%	0.835	83%	0.826	S	S	*	*			trans	-121.9	131.7	172.3	0	0	0	0	0	110.4
24	A	26	Very low	28.5	Very low	103 Å²	103	116.9 Å²	116.9	85%	0.851	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-87.9	150.6	175.3	0	0	0	0	0	111.2
25	V	27.2	Very low	28.4	Very low	146 Å²	146	115.9 Å²	115.9	89%	0.885	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-90.4	119	174.4	180	0	0	0	0	109.5
26	A	26.1	Very low	28.4	Very low	88 Å²	88	117.1 Å²	117.1	73%	0.727	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-93.9	145	172.1	0	0	0	0	0	111.1
27	V	26.8	Very low	28.6	Very low	145 Å²	145	117.4 Å²	117.4	88%	0.879	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-85.3	137.9	179.2	-179.6	0	0	0	0	110.4
28	V	26.3	Very low	28.6	Very low	136 Å²	136	115.8 Å²	115.8	82%	0.824	83%	0.831	S	S	*	*			trans	-130.4	138	173.5	-179.5	0	0	0	0	110
29	A	27.9	Very low	28.8	Very low	83 Å²	83	114 Å²	114	69%	0.686	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-94.7	165.6	-177.2	0	0	0	0	0	112.3
30	P	38.2	Very low	28.8	Very low	122 Å²	122	113 Å²	113	79%	0.792	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-90.7	155.9	-163.3	35.5	-36.2	0	0	0	115.1
31	P	35.5	Very low	28.8	Very low	130 Å²	130	112.5 Å²	112.5	84%	0.844	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-90.6	157.2	165.2	36.2	-32.9	0	0	0	113
32	G	26.5	Very low	29	Very low	78 Å²	78	110.4 Å²	110.4	80%	0.804	83%	0.828	S	S	*	*			trans	-93.4	-166.3	179.5	0	0	0	0	0	115.6
33	V	28.9	Very low	29.4	Very low	160 Å²	160	109.2 Å²	109.2	97%	0.97	83%	0.825	S	S	*	*			trans	-90.9	139.9	-167.5	-179.3	0	0	0	0	113.3
34	G	25.1	Very low	29.7	Very low	78 Å²	78	110.2 Å²	110.2	80%	0.804	82%	0.821	S	S	*	*			trans	141.5	105.4	149.6	0	0	0	0	0	116.6
35	G	25.2	Very low	30.5	Very low	77 Å²	77	114.6 Å²	114.6	79%	0.794	82%	0.821	S	S	*	*			trans	153	112	166.3	0	0	0	0	0	114.7
36	V	29.8	Very low	31.6	Very low	144 Å²	144	113.6 Å²	113.6	87%	0.873	81%	0.81	S	S	*	*			trans	-140.1	121.6	173.2	172.4	0	0	0	0	107.7
37	P	36.7	Very low	33.7	Very low	130 Å²	130	116.7 Å²	116.7	84%	0.844	81%	0.807	S	S	*	*				-144.5	163.7	110.8	38.4	-24.5	0	0	0	114.4
38	G	26.6	Very low	36.3	Very low	78 Å²	78	115.8 Å²	115.8	80%	0.804	79%	0.789	S	S	*	*			trans	106.7	80.1	169.1	0	0	0	0	0	114.6
39	G	32.5	Very low	38.9	Very low	90 Å²	90	109.9 Å²	109.9	93%	0.928	75%	0.754	S	S	*	*			trans	-80.3	120.3	177.4	0	0	0	0	0	113
40	A	27.9	Very low	41.3	Very low	93 Å²	93	117.1 Å²	117.1	77%	0.769	76%	0.763	S	S	*	*			trans	-111.4	137.8	162.1	0	0	0	0	0	109.1	V42	A40-V42 PolarHBondContact O-N 3.04Å
41	A	29.4	Very low	43	Very low	107 Å²	107	118 Å²	118	88%	0.884	75%	0.752	S	S	*	*			trans	-72	120.4	-168.5	0	0	0	0	0	112.8	G43	A41-G43 PolarHBondContact O-N 2.97Å
42	V	32.6	Very low	45.2	Very low	133 Å²	133	114.7 Å²	114.7	81%	0.806	72%	0.723	S	S	*	*			trans	-68.6	122.4	165.5	177.7	0	0	0	0	108.3	A40 V44	A40-V42 PolarHBondContact O-N 3.04Å; V42-V44 PolarHBondContact O-N 2.88Å
43	G	33.3	Very low	47.5	Very low	71 Å²	71	113 Å²	113	73%	0.732	70%	0.701	S	S	*	*			trans	-65	96.3	-175.4	0	0	0	0	0	113.3	A41 K45	A41-G43 PolarHBondContact O-N 2.97Å; G43-K45 PolarHBondContact O-N 3.09Å
44	V	35.2	Very low	49.6	Very low	123 Å²	123	113.7 Å²	113.7	75%	0.745	69%	0.691	S	S	*	*			trans	-64.5	113.8	169	178.7	0	0	0	0	108.4	V42 L46	V42-V44 PolarHBondContact O-N 2.88Å; V44-L46 PolarHBondContact O-N 2.94Å
45	K	42	Very low	51.9	Low	195 Å²	195	115.3 Å²	115.3	85%	0.848	68%	0.681	S	S	*	*			trans	-65.2	97.8	166.5	-82.3	-171.5	174.1	-178.3	0	108.9	G43 K47	G43-K45 PolarHBondContact O-N 3.09Å; K45-K47 PolarHBondContact O-N 2.78Å
46	L	52.1	Low	54.3	Low	125 Å²	125	119.5 Å²	119.5	65%	0.654	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-52.5	130.8	168.8	-69.1	168	0	0	0	109	V44 L67	V44-L46 PolarHBondContact O-N 2.94Å; L46-L67 HydrophobicContact CD1-CD1 4.43Å
47	K	70.3	Confident	56.6	Low	152 Å²	152	116.3 Å²	116.3	66%	0.661	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-99.4	129	178.1	-66.9	177.1	-177.7	174	0	108.4	K45 F66 L67	K45-K47 PolarHBondContact O-N 2.78Å; K47-F66 HydrophobicContact CB-CD1 3.94Å; K47-F66 HydrophobicContact CB-CE1 4.24Å; K47-F66 WeakPolarHBondContact O-CB 3.45Å; K47-L67 PolarHBondContact O-N 2.97Å
48	Y	80.3	Confident	58.8	Low	126 Å²	126	111.1 Å²	111.1	49%	0.494	63%	0.625	S	S	.	*	B	Isolated β-bridge	trans	-64	142.7	171.8	-61.5	-84.6	0	0	0	110.5	R50 L67 E69	Y48-R50 PolarHBondContact O-N 2.97Å; Y48-L67 CarbonylContact C-O 3.48Å; Y48-L67 WeakPolarHBondContact CA-O 3.33Å; Y48-L67 HydrophobicContact CD1-CB 4.1Å; Y48-L67 HydrophobicContact CD1-CD2 4.24Å; Y48-L67 HydrophobicContact CE1-CD2 3.81Å; Y48-E69 HydrophobicContact CD1-CB 4.05Å; Y48-E69 HydrophobicContact CE1-CB 3.84Å
49	C	80.1	Confident	61	Low	13 Å²	13	115.5 Å²	115.5	9%	0.088	62%	0.622	C	S	.	*	P	Polyproline II helix	trans	-70.7	117.1	178.4	-177	0	0	0	0	110.3	Y51 Y52 C58 C64 F66 L67 H68	C49-Y51 PolarHBondContact O-N 2.65Å; C49-Y51 VanDerWaalsContact O-N 3.1Å; C49-Y51 PolarHBondContact SG-N 3.07Å; C49-Y51 VanDerWaalsContact SG-N 3.39Å; C49-Y52 PolarHBondContact O-N 3.22Å; C49-C58 VanDerWaalsContact SG-SG 3.69Å; C49-C64 PolarHBondContact SG-SG 2.8Å; C49-F66 HydrophobicContact CB-CB 3.71Å; C49-L67 PolarHBondContact N-O 3.06Å; C49-H68 VanDerWaalsContact CB-CD2 3.48Å; C49-H68 WeakPolarHBondContact CB-CD2 3.32Å
50	R	79.3	Confident	62.8	Low	234 Å²	234	117.3 Å²	117.3	88%	0.883	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-6	176.8	-164.3	170.3	-178.7	167.6	1.7	113.8	Y48	Y48-R50 PolarHBondContact O-N 2.97Å
51	Y	74.3	Confident	65	Low	142 Å²	142	114.8 Å²	114.8	56%	0.557	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.8	14.9	179.7	-52	-75.3	0	0	0	112.8	C49 F59 Y60	C49-Y51 PolarHBondContact O-N 2.65Å; C49-Y51 VanDerWaalsContact O-N 3.1Å; C49-Y51 PolarHBondContact SG-N 3.07Å; C49-Y51 VanDerWaalsContact SG-N 3.39Å; Y51-F59 PolarHBondContact O-N 3.24Å; Y51-Y60 HydrophobicContact CD2-CD2 4.33Å; Y51-Y60 AromaticContact CD2-CE2 3.72Å; Y51-Y60 HydrophobicContact CD2-CE2 3.72Å; Y51-Y60 HydrophobicContact CE2-CE2 4.19Å; Y51-Y60 HydrophobicContact CG-CE2 4.14Å
52	Y	82.1	Confident	66.8	Low	60 Å²	60	119.4 Å²	119.4	24%	0.235	59%	0.588	C	S	.	*	B	Isolated β-bridge	trans	-83.9	122.8	167.4	-167.4	-122.9	0	0	0	109.4	C49 K56 T57 C58 H68	C49-Y52 PolarHBondContact O-N 3.22Å; Y52-K56 VanDerWaalsContact CE2-C 3.45Å; Y52-K56 WeakPolarHBondContact CE2-O 3.49Å; Y52-K56 WeakPolarHBondContact OH-CA 3.19Å; Y52-K56 VanDerWaalsContact OH-CB 3.27Å; Y52-K56 WeakPolarHBondContact OH-CB 3.26Å; Y52-K56 PolarHBondContact OH-O 3Å; Y52-T57 WeakPolarHBondContact CA-O 3.37Å; Y52-T57 VanDerWaalsContact CD2-O 3.26Å; Y52-T57 WeakPolarHBondContact CD2-O 3.29Å; Y52-C58 HydrophobicContact CD2-CB 4.08Å; Y52-H68 HydrophobicContact CD1-CB 4.15Å; Y52-H68 HydrophobicContact CD2-CB 3.75Å; Y52-H68 AromaticContact CD2-CD2 3.7Å; Y52-H68 AromaticContact CD2-CG 3.58Å; Y52-H68 HydrophobicContact CE1-CB 4.02Å; Y52-H68 WeakPolarHBondContact CE1-O 3.16Å; Y52-H68 HydrophobicContact CE2-CB 3.59Å; Y52-H68 AromaticContact CE2-CG 3.77Å; Y52-H68 HydrophobicContact CG-CB 4.03Å; Y52-H68 AromaticContact CG-CD2 3.96Å
53	A	74.3	Confident	68.3	Low	41 Å²	41	121.7 Å²	121.7	34%	0.339	59%	0.59	S	S	.	*			trans	-95.5	159.6	-177.2	0	0	0	0	0	111.8	D55 K56 T57	A53-D55 VanDerWaalsContact CB-OD1 3.27Å; A53-D55 WeakPolarHBondContact CB-OD1 3.28Å; A53-D55 PolarHBondContact O-N 3.2Å; A53-K56 WeakPolarHBondContact O-CA 3.4Å; A53-K56 PolarHBondContact O-N 3.15Å; A53-T57 PolarHBondContact N-O 3.28Å
54	K	72.3	Confident	70.4	Confident	175 Å²	175	119.4 Å²	119.4	76%	0.761	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-13.4	-176.1	-67.8	-162.6	167.1	-156.6	0	114.7	K56 D70	K54-K56 PolarHBondContact O-N 2.98Å; K54-D70 WeakPolarHBondContact CE-OD2 3.38Å; K54-D70 IonicContact NZ-OD2 2.96Å
55	D	74.4	Confident	72.5	Confident	113 Å²	113	122.4 Å²	122.4	60%	0.604	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	5.3	169	60	13	0	0	0	113.2	A53 T57	A53-D55 VanDerWaalsContact CB-OD1 3.27Å; A53-D55 WeakPolarHBondContact CB-OD1 3.28Å; A53-D55 PolarHBondContact O-N 3.2Å; D55-T57 VanDerWaalsContact C-N 3.32Å; D55-T57 WeakPolarHBondContact OD1-CB 3.4Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.49Å; D55-T57 PolarHBondContact OD1-N 3.42Å; D55-T57 PolarHBondContact OD1-OG1 3.16Å; D55-T57 PolarHBondContact OD2-OG1 3.37Å
56	K	74.4	Confident	74.3	Confident	164 Å²	164	118.5 Å²	118.5	71%	0.713	55%	0.551	S	S	*	*	S	Bend	trans	70.3	17.6	-176.8	-58	-174	178.4	-175.7	0	115.2	Y52 A53 K54	Y52-K56 VanDerWaalsContact CE2-C 3.45Å; Y52-K56 WeakPolarHBondContact CE2-O 3.49Å; Y52-K56 WeakPolarHBondContact OH-CA 3.19Å; Y52-K56 VanDerWaalsContact OH-CB 3.27Å; Y52-K56 WeakPolarHBondContact OH-CB 3.26Å; Y52-K56 PolarHBondContact OH-O 3Å; A53-K56 WeakPolarHBondContact O-CA 3.4Å; A53-K56 PolarHBondContact O-N 3.15Å; K54-K56 PolarHBondContact O-N 2.98Å
57	T	78.3	Confident	75.5	Confident	78 Å²	78	115.5 Å²	115.5	48%	0.479	54%	0.536	S	S	.	.			trans	-92	151.8	172.9	68.9	0	0	0	0	112.3	Y52 A53 D55	Y52-T57 WeakPolarHBondContact CA-O 3.37Å; Y52-T57 VanDerWaalsContact CD2-O 3.26Å; Y52-T57 WeakPolarHBondContact CD2-O 3.29Å; A53-T57 PolarHBondContact N-O 3.28Å; D55-T57 VanDerWaalsContact C-N 3.32Å; D55-T57 WeakPolarHBondContact OD1-CB 3.4Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.49Å; D55-T57 PolarHBondContact OD1-N 3.42Å; D55-T57 PolarHBondContact OD1-OG1 3.16Å; D55-T57 PolarHBondContact OD2-OG1 3.37Å
58	C	83.7	Confident	76.1	Confident	21 Å²	21	111.2 Å²	111.2	14%	0.142	52%	0.518	C	S	.	.	B	Isolated β-bridge	trans	-121.9	136.5	169	-176	0	0	0	0	109.8	C49 Y52 Y60 G61 H68	C49-C58 VanDerWaalsContact SG-SG 3.69Å; Y52-C58 HydrophobicContact CD2-CB 4.08Å; C58-Y60 PolarHBondContact O-N 2.98Å; C58-Y60 VanDerWaalsContact O-N 3.14Å; C58-Y60 PolarHBondContact SG-N 3.47Å; C58-G61 PolarHBondContact O-N 3.18Å; C58-H68 WeakPolarHBondContact CB-CE1 3.29Å; C58-H68 WeakPolarHBondContact CB-NE2 3.24Å; C58-H68 PolarHBondContact SG-NE2 3.26Å
59	F	72.3	Confident	75.7	Confident	170 Å²	170	110.4 Å²	110.4	75%	0.746	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.5	176.1	-173.8	-96.6	0	0	0	113.8	Y51	Y51-F59 PolarHBondContact O-N 3.24Å
60	Y	70.1	Confident	74.7	Confident	128 Å²	128	113.2 Å²	113.2	50%	0.502	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	9.8	179.1	-62.7	-77.7	0	0	0	113.8	Y51 C58 E63	Y51-Y60 HydrophobicContact CD2-CD2 4.33Å; Y51-Y60 AromaticContact CD2-CE2 3.72Å; Y51-Y60 HydrophobicContact CD2-CE2 3.72Å; Y51-Y60 HydrophobicContact CE2-CE2 4.19Å; Y51-Y60 HydrophobicContact CG-CE2 4.14Å; C58-Y60 PolarHBondContact O-N 2.98Å; C58-Y60 VanDerWaalsContact O-N 3.14Å; C58-Y60 PolarHBondContact SG-N 3.47Å; Y60-E63 PolarHBondContact O-N 3.07Å
61	G	74.6	Confident	73.5	Confident	39 Å²	39	107 Å²	107	40%	0.402	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	57	-141.8	179.1	0	0	0	0	0	113.5	C58	C58-G61 PolarHBondContact O-N 3.18Å
62	E	67.1	Low	72.5	Confident	204 Å²	204	104.2 Å²	104.2	95%	0.953	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-81.5	-10.5	179.7	-59.5	-168.3	161.7	0	0	113.7	C64	E62-C64 PolarHBondContact O-N 3.34Å
63	E	64.9	Low	70.9	Confident	182 Å²	182	106 Å²	106	85%	0.85	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-79.7	0.8	175.3	-60.5	-168.9	159.8	0	0	113	Y60 Q65	Y60-E63 PolarHBondContact O-N 3.07Å; E63-Q65 PolarHBondContact O-N 3.09Å
64	C	76.9	Confident	69.4	Low	23 Å²	23	107.7 Å²	107.7	16%	0.155	58%	0.577	C	S	.	*			trans	-72.1	119.5	-178.5	-171.1	0	0	0	0	112.7	C49 E62 F66 H68	C49-C64 PolarHBondContact SG-SG 2.8Å; E62-C64 PolarHBondContact O-N 3.34Å; C64-F66 PolarHBondContact O-N 3.38Å; C64-F66 VanDerWaalsContact O-N 3.16Å; C64-H68 WeakPolarHBondContact CB-NE2 3.44Å; C64-H68 PolarHBondContact SG-NE2 2.85Å
65	Q	77.9	Confident	67.4	Low	186 Å²	186	104 Å²	104	87%	0.869	58%	0.58	S	S	*	*			trans	-82.9	20	-179	-58.4	179.9	-0.3	0	0	114.2	E63	E63-Q65 PolarHBondContact O-N 3.09Å
66	F	80.6	Confident	65.3	Low	112 Å²	112	103 Å²	103	49%	0.491	59%	0.587	S	S	.	*	S	Bend	trans	-132.4	150.3	-173.9	-64.6	-69.3	0	0	0	111.7	K47 C49 C64 H68	K47-F66 HydrophobicContact CB-CD1 3.94Å; K47-F66 HydrophobicContact CB-CE1 4.24Å; K47-F66 WeakPolarHBondContact O-CB 3.45Å; C49-F66 HydrophobicContact CB-CB 3.71Å; C64-F66 PolarHBondContact O-N 3.38Å; C64-F66 VanDerWaalsContact O-N 3.16Å; F66-H68 PolarHBondContact O-CD2 3.45Å; F66-H68 VanDerWaalsContact O-CD2 3.31Å
67	L	77.9	Confident	63.9	Low	62 Å²	62	101.4 Å²	101.4	33%	0.325	59%	0.593	S	S	.	*	B	Isolated β-bridge	trans	-72	135.3	-166.8	-148.5	74.3	0	0	0	113	L46 K47 Y48 C49	L46-L67 HydrophobicContact CD1-CD1 4.43Å; K47-L67 PolarHBondContact O-N 2.97Å; Y48-L67 CarbonylContact C-O 3.48Å; Y48-L67 WeakPolarHBondContact CA-O 3.33Å; Y48-L67 HydrophobicContact CD1-CB 4.1Å; Y48-L67 HydrophobicContact CD1-CD2 4.24Å; Y48-L67 HydrophobicContact CE1-CD2 3.81Å; C49-L67 PolarHBondContact N-O 3.06Å
68	H	82.8	Confident	61.5	Low	62 Å²	62	101 Å²	101	29%	0.287	61%	0.605	S	S	.	*			trans	-102.7	75.3	-174.9	-72.8	170.6	0	0	0	111.9	C49 Y52 C58 C64 F66	C49-H68 VanDerWaalsContact CB-CD2 3.48Å; C49-H68 WeakPolarHBondContact CB-CD2 3.32Å; Y52-H68 HydrophobicContact CD1-CB 4.15Å; Y52-H68 HydrophobicContact CD2-CB 3.75Å; Y52-H68 AromaticContact CD2-CD2 3.7Å; Y52-H68 AromaticContact CD2-CG 3.58Å; Y52-H68 HydrophobicContact CE1-CB 4.02Å; Y52-H68 WeakPolarHBondContact CE1-O 3.16Å; Y52-H68 HydrophobicContact CE2-CB 3.59Å; Y52-H68 AromaticContact CE2-CG 3.77Å; Y52-H68 HydrophobicContact CG-CB 4.03Å; Y52-H68 AromaticContact CG-CD2 3.96Å; C58-H68 WeakPolarHBondContact CB-CE1 3.29Å; C58-H68 WeakPolarHBondContact CB-NE2 3.24Å; C58-H68 PolarHBondContact SG-NE2 3.26Å; C64-H68 WeakPolarHBondContact CB-NE2 3.44Å; C64-H68 PolarHBondContact SG-NE2 2.85Å; F66-H68 PolarHBondContact O-CD2 3.45Å; F66-H68 VanDerWaalsContact O-CD2 3.31Å
69	E	71.1	Confident	58.8	Low	109 Å²	109	109 Å²	109	51%	0.509	65%	0.646	S	S	.	*			trans	-139.7	153	176.7	-81.3	-174.5	134.7	0	0	111	Y48 P71	Y48-E69 HydrophobicContact CD1-CB 4.05Å; Y48-E69 HydrophobicContact CE1-CB 3.84Å; E69-P71 WeakPolarHBondContact O-CD 3.37Å
70	D	59.8	Low	56.6	Low	73 Å²	73	104.7 Å²	104.7	39%	0.39	65%	0.649	S	S	.	*			trans	-86	117.8	177.8	-165.4	-24.1	0	0	0	110.2	K54 A72 A73	K54-D70 WeakPolarHBondContact CE-OD2 3.38Å; K54-D70 IonicContact NZ-OD2 2.96Å; D70-A72 PolarHBondContact O-N 3.42Å; D70-A73 PolarHBondContact O-N 3.1Å
71	P	52.6	Low	54.6	Low	103 Å²	103	106.1 Å²	106.1	67%	0.669	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-6.8	-171.8	-26.5	35.8	0	0	0	116.8	E69	E69-P71 WeakPolarHBondContact O-CD 3.37Å
72	A	53.4	Low	52.4	Low	84 Å²	84	113 Å²	113	69%	0.694	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-9.1	-177.3	0	0	0	0	0	115	D70 G74	D70-A72 PolarHBondContact O-N 3.42Å; A72-G74 VanDerWaalsContact C-N 3.28Å; A72-G74 PolarHBondContact O-N 3.09Å
73	A	48.7	Very low	50.4	Low	98 Å²	98	107.7 Å²	107.7	81%	0.81	67%	0.671	S	S	*	*			trans	-79.5	3.8	-173.2	0	0	0	0	0	115.7	D70	D70-A73 PolarHBondContact O-N 3.1Å
74	G	42.5	Very low	48.6	Very low	75 Å²	75	106.4 Å²	106.4	77%	0.773	67%	0.67	S	S	*	*			trans	-108.3	37.5	-159.1	0	0	0	0	0	118.6	A72	A72-G74 VanDerWaalsContact C-N 3.28Å; A72-G74 PolarHBondContact O-N 3.09Å
75	A	31.3	Very low	46.2	Very low	98 Å²	98	111.2 Å²	111.2	81%	0.81	70%	0.704	S	S	*	*			trans	-161.9	139.8	171	0	0	0	0	0	110.6
76	A	30.6	Very low	43.7	Very low	91 Å²	91	108.8 Å²	108.8	75%	0.752	70%	0.702	S	S	*	*			cis	-163.3	-161.3	-10	0	0	0	0	0	106
77	P	45.4	Very low	41.8	Very low	131 Å²	131	108.1 Å²	108.1	85%	0.851	71%	0.709	S	S	*	*			cis	-130.3	178.7	-19.8	41.6	-26.3	0	0	0	114
78	G	27.6	Very low	39.3	Very low	71 Å²	71	113.2 Å²	113.2	73%	0.732	74%	0.735	S	S	*	*			trans	118	109.8	144.9	0	0	0	0	0	120.1
79	L	27.3	Very low	36.7	Very low	188 Å²	188	114.3 Å²	114.3	98%	0.984	76%	0.755	S	S	*	*			trans	38.4	123.8	143.5	-58.9	173.5	0	0	0	121.8
80	G	26.2	Very low	34.6	Very low	79 Å²	79	117.2 Å²	117.2	81%	0.814	77%	0.773	S	S	*	*			trans	168.9	131.3	156.3	0	0	0	0	0	114.3
81	L	28	Very low	33	Very low	158 Å²	158	118.5 Å²	118.5	83%	0.827	79%	0.794	S	S	*	*			trans	-97.3	143.1	164.4	-66.9	102.6	0	0	0	109.7
82	H	27.3	Very low	31.6	Very low	183 Å²	183	116.9 Å²	116.9	85%	0.847	80%	0.796	S	S	*	*				168	173.3	119.8	-93.9	-72.2	0	0	0	113.3
83	S	26.3	Very low	30.4	Very low	93 Å²	93	117.9 Å²	117.9	65%	0.65	80%	0.804	S	S	*	*			trans	-91.9	159.2	-155.2	-37.5	0	0	0	0	116.6
84	N	26.9	Very low	30.6	Very low	155 Å²	155	118.8 Å²	118.8	83%	0.829	80%	0.802	S	S	*	*			trans	47.6	113	145	-60.9	-12	0	0	0	121.1
85	S	26.3	Very low	29.8	Very low	125 Å²	125	121.4 Å²	121.4	87%	0.874	80%	0.803	S	S	*	*				179.8	161.9	112.5	53.6	0	0	0	0	114.6
86	V	24.5	Very low	29.7	Very low	134 Å²	134	121.6 Å²	121.6	81%	0.812	80%	0.804	S	S	*	*			trans	-89.3	-176.2	175.8	-118.4	0	0	0	0	111.1
87	P	42.4	Very low	29.4	Very low	99 Å²	99	121 Å²	121	64%	0.643	81%	0.806	S	S	*	*			cis	-141.1	-176.7	-10.5	34.9	-13	0	0	0	117
88	L	24.7	Very low	28.4	Very low	169 Å²	169	124.6 Å²	124.6	89%	0.885	81%	0.809	S	S	*	*			trans	56.2	166.2	146.2	-93.6	54	0	0	0	120.8
89	A	27.1	Very low	29.6	Very low	85 Å²	85	126.2 Å²	126.2	70%	0.702	81%	0.807	S	S	*	*			cis	-174.4	170.9	-44.6	0	0	0	0	0	112.1
90	L	27	Very low	30.7	Very low	170 Å²	170	123.1 Å²	123.1	89%	0.89	80%	0.798	S	S	*	*			trans	91.5	123.9	143.1	-154.1	72.2	0	0	0	122
91	A	26.5	Very low	30.7	Very low	99 Å²	99	123 Å²	123	82%	0.818	80%	0.797	S	S	*	*			trans	57.7	150.6	153	0	0	0	0	0	122
92	G	24.3	Very low	30.6	Very low	70 Å²	70	120.5 Å²	120.5	72%	0.722	80%	0.799	S	S	*	*			cis	156.7	161.6	-13.8	0	0	0	0	0	116
93	A	27	Very low	30.9	Very low	104 Å²	104	118.5 Å²	118.5	86%	0.86	80%	0.799	S	S	*	*			trans	76.9	167.1	159.7	0	0	0	0	0	118.1
94	P	52.7	Low	32	Very low	117 Å²	117	119.8 Å²	119.8	76%	0.76	81%	0.806	S	S	*	*				-140.3	-164.3	-128.6	34.1	-8.7	0	0	0	116.8
95	V	27.7	Very low	32.1	Very low	131 Å²	131	116.5 Å²	116.5	79%	0.794	81%	0.808	S	S	*	*			trans	134.4	119.6	138.3	174.9	0	0	0	0	117.4
96	A	27.8	Very low	32.2	Very low	102 Å²	102	114.8 Å²	114.8	84%	0.843	81%	0.81	S	S	*	*			trans	57	148.9	148.8	0	0	0	0	0	124.6
97	G	24	Very low	32.4	Very low	77 Å²	77	112.3 Å²	112.3	79%	0.794	81%	0.812	S	S	*	*			trans	154.5	98.2	159.6	0	0	0	0	0	117.5
98	F	24.5	Very low	31.8	Very low	207 Å²	207	113 Å²	113	91%	0.908	83%	0.826	S	S	*	*			trans	-124.2	169.3	167.4	-105.7	-114	0	0	0	107.4
99	P	52.3	Low	31.9	Very low	106 Å²	106	108.5 Å²	108.5	69%	0.688	82%	0.82	S	S	*	*			cis	-135	-128.5	-42.3	37.2	-15	0	0	0	110.6
100	P	51.8	Low	33.1	Very low	122 Å²	122	110.3 Å²	110.3	79%	0.792	83%	0.825	S	S	*	*				-121.1	171.5	-73.5	33.8	-16.2	0	0	0	116.3
101	G	26.2	Very low	34.9	Very low	77 Å²	77	107.9 Å²	107.9	79%	0.794	82%	0.819	S	S	*	*				124.6	164	128.3	0	0	0	0	0	122
102	A	26.2	Very low	36.2	Very low	106 Å²	106	109.2 Å²	109.2	88%	0.876	82%	0.819	S	S	*	*			trans	93.8	159.7	162.9	0	0	0	0	0	121.8
103	V	32.8	Very low	36.5	Very low	140 Å²	140	108.9 Å²	108.9	85%	0.848	82%	0.816	S	S	*	*			trans	-134.4	-162.8	-169.2	-124.8	0	0	0	0	107.9
104	P	49.1	Very low	37.9	Very low	121 Å²	121	109.6 Å²	109.6	79%	0.786	81%	0.812	S	S	*	*			cis	-137.4	-178.6	-11.7	36.4	-15.2	0	0	0	117.3
105	G	29.4	Very low	36.9	Very low	86 Å²	86	113.9 Å²	113.9	89%	0.887	82%	0.819	S	S	*	*			trans	85.4	162.1	150.2	0	0	0	0	0	119.4
106	G	28.5	Very low	37.1	Very low	89 Å²	89	114.9 Å²	114.9	92%	0.918	81%	0.812	S	S	*	*			cis	153.2	139.3	-15.6	0	0	0	0	0	115.8
107	G	28.1	Very low	38.1	Very low	81 Å²	81	115.5 Å²	115.5	84%	0.835	81%	0.808	S	S	*	*			trans	135.7	142.4	156.3	0	0	0	0	0	121.7
108	A	29.2	Very low	38.5	Very low	115 Å²	115	116.6 Å²	116.6	95%	0.95	80%	0.795	S	S	*	*			trans	58	159.3	161	0	0	0	0	0	120.8
109	G	27.6	Very low	39	Very low	73 Å²	73	114.7 Å²	114.7	75%	0.753	79%	0.794	S	S	*	*			cis	-171.7	170.6	-3.9	0	0	0	0	0	113.2
110	P	53	Low	37.8	Very low	124 Å²	124	113.3 Å²	113.3	81%	0.805	80%	0.799	S	S	*	*			trans	-130.9	-163.8	-156	45.8	-31.4	0	0	0	116
111	P	63.7	Low	36.8	Very low	119 Å²	119	114.5 Å²	114.5	77%	0.773	80%	0.798	S	S	*	*			cis	-113.5	-107.7	-17.1	32.6	-10.1	0	0	0	112
112	P	53.7	Low	37.7	Very low	126 Å²	126	116.8 Å²	116.8	82%	0.818	80%	0.799	S	S	*	*			cis	-120.3	-131.3	-5.6	43.9	-25.9	0	0	0	115.1
113	G	31.3	Very low	37.9	Very low	64 Å²	64	114.2 Å²	114.2	66%	0.66	78%	0.783	S	S	*	*			trans	-165	-166.3	-178.8	0	0	0	0	0	112.2
114	P	56.6	Low	37.9	Very low	119 Å²	119	115 Å²	115	77%	0.773	79%	0.789	S	S	*	*			cis	-155.3	-171.2	36.1	46.3	-25.1	0	0	0	119.9
115	K	30.5	Very low	36.8	Very low	206 Å²	206	113.1 Å²	113.1	90%	0.896	79%	0.791	S	S	*	*			trans	92.8	151.8	153.7	-75	-179.3	179.4	-179	0	122.5
116	K	32.5	Very low	36.9	Very low	153 Å²	153	114.1 Å²	114.1	67%	0.665	79%	0.791	S	S	*	*			trans	-159.8	159.5	-166.8	-159.4	-158.4	173.9	-156.2	0	108.8	D118	K116-D118 WeakPolarHBondContact CD-OD2 3.46Å; K116-D118 WeakPolarHBondContact CE-OD1 3.32Å; K116-D118 WeakPolarHBondContact CE-OD2 3.24Å; K116-D118 IonicContact NZ-OD1 3.14Å; K116-D118 PolarHBondContact NZ-OD1 3.32Å; K116-D118 IonicContact NZ-OD2 3.69Å; K116-D118 PolarHBondContact NZ-OD2 3.29Å
117	P	49.3	Very low	37	Very low	114 Å²	114	114.7 Å²	114.7	74%	0.74	79%	0.787	S	S	*	*				-137.6	161.3	93.4	13.4	11.6	0	0	0	112.9
118	D	32.5	Very low	37.1	Very low	101 Å²	101	116 Å²	116	54%	0.54	79%	0.79	S	S	.	*				68.1	141.3	60	-61.4	-54	0	0	0	114.6	K116	K116-D118 WeakPolarHBondContact CD-OD2 3.46Å; K116-D118 WeakPolarHBondContact CE-OD1 3.32Å; K116-D118 WeakPolarHBondContact CE-OD2 3.24Å; K116-D118 IonicContact NZ-OD1 3.14Å; K116-D118 PolarHBondContact NZ-OD1 3.32Å; K116-D118 IonicContact NZ-OD2 3.69Å; K116-D118 PolarHBondContact NZ-OD2 3.29Å
119	L	34.3	Very low	37	Very low	166 Å²	166	114.2 Å²	114.2	87%	0.869	78%	0.783	S	S	*	*			cis	-168.1	163.6	-7.1	-116.1	168	0	0	0	109.7
120	G	27.4	Very low	36.9	Very low	77 Å²	77	114.9 Å²	114.9	79%	0.794	79%	0.789	S	S	*	*			trans	129.2	135.2	151.2	0	0	0	0	0	120.6
121	D	31	Very low	35.6	Very low	147 Å²	147	112.9 Å²	112.9	79%	0.786	79%	0.792	S	S	*	*			trans	-151.4	140.9	162.9	176.2	33	0	0	0	106.2	G123	D121-G123 PolarHBondContact OD1-N 3.13Å
122	P	44.9	Very low	33.9	Very low	125 Å²	125	111 Å²	111	81%	0.812	79%	0.794	S	S	*	*				-154.5	132.4	106	36.7	-16.8	0	0	0	117.2
123	G	29.9	Very low	32.7	Very low	53 Å²	53	110.4 Å²	110.4	55%	0.546	79%	0.792	S	S	.	*				65.5	124.8	114.4	0	0	0	0	0	123.8	D121	D121-G123 PolarHBondContact OD1-N 3.13Å
124	T	32.5	Very low	32.6	Very low	157 Å²	157	112.5 Å²	112.5	96%	0.963	80%	0.797	S	S	*	*			trans	79.6	141.5	146.2	72.2	0	0	0	0	121.6
125	G	27.2	Very low	31.2	Very low	80 Å²	80	110.8 Å²	110.8	83%	0.825	80%	0.801	S	S	*	*			trans	156.1	146.9	176.1	0	0	0	0	0	112.1
126	A	31.5	Very low	31	Very low	108 Å²	108	104.5 Å²	104.5	89%	0.893	79%	0.794	S	S	*	*			trans	-155.7	161.1	-171.1	0	0	0	0	0	117.4
127	A	30.3	Very low	30.8	Very low	100 Å²	100	105.7 Å²	105.7	83%	0.826	81%	0.807	S	S	*	*			trans	87.6	149.1	153.1	0	0	0	0	0	122.1
128	A	30.2	Very low	29.8	Very low	110 Å²	110	108.5 Å²	108.5	91%	0.909	82%	0.816	S	S	*	*			trans	66.9	144.3	170.3	0	0	0	0	0	119.2
129	G	26.5	Very low	29.6	Very low	77 Å²	77	106.7 Å²	106.7	79%	0.794	82%	0.821	S	S	*	*			cis	170.4	151.6	-10.5	0	0	0	0	0	114.9
130	G	26.4	Very low	30	Very low	86 Å²	86	104.6 Å²	104.6	89%	0.887	82%	0.817	S	S	*	*			trans	78.7	159.3	174.2	0	0	0	0	0	116.2
131	G	26.2	Very low	30.1	Very low	83 Å²	83	111.8 Å²	111.8	86%	0.856	82%	0.821	S	S	*	*			cis	158.6	139.5	-13.1	0	0	0	0	0	113.8
132	G	27.7	Very low	30	Very low	79 Å²	79	112.4 Å²	112.4	81%	0.814	82%	0.823	S	S	*	*			trans	105	106.3	154.3	0	0	0	0	0	121.3
133	S	28	Very low	29.1	Very low	113 Å²	113	110.6 Å²	110.6	79%	0.79	82%	0.818	S	S	*	*				63.9	125.8	125.4	-148.9	0	0	0	0	125.3
134	S	29	Very low	29.1	Very low	108 Å²	108	115.9 Å²	115.9	76%	0.755	83%	0.833	S	S	*	*			trans	62.5	127.4	131	63.4	0	0	0	0	124.5
135	G	27	Very low	29.2	Very low	84 Å²	84	114.6 Å²	114.6	87%	0.866	83%	0.827	S	S	*	*			trans	90.1	154.7	147.4	0	0	0	0	0	116.6
136	G	26.7	Very low	29.2	Very low	73 Å²	73	114.1 Å²	114.1	75%	0.753	82%	0.822	S	S	*	*			cis	155.5	113.4	-11.8	0	0	0	0	0	114.4
137	L	29.2	Very low	29	Very low	179 Å²	179	116.7 Å²	116.7	94%	0.937	82%	0.817	S	S	*	*			trans	67.8	131.6	171.9	-51.8	175.6	0	0	0	117.7
138	D	28.1	Very low	28.8	Very low	173 Å²	173	119.4 Å²	119.4	93%	0.925	82%	0.818	S	S	*	*				-160.6	162.4	121.2	-134.5	-27.2	0	0	0	111.9
139	G	28.8	Very low	28.6	Very low	62 Å²	62	118 Å²	118	64%	0.639	82%	0.815	S	S	*	*			trans	157.7	152.4	170.8	0	0	0	0	0	117.6
140	P	42.6	Very low	28.5	Very low	122 Å²	122	118 Å²	118	79%	0.792	81%	0.814	S	S	*	*			trans	-120.5	145.3	156.3	8.3	14.9	0	0	0	112.2
141	R	28.5	Very low	28.4	Very low	229 Å²	229	118.8 Å²	118.8	86%	0.864	81%	0.812	S	S	*	*				64.7	132.3	63.2	-83.3	-172	173.4	-168.1	-0.9	113.3
142	L	29	Very low	28.4	Very low	159 Å²	159	123.3 Å²	123.3	83%	0.832	82%	0.816	S	S	*	*			cis	-137.1	-169.3	3	-71	112.3	0	0	0	109.2
143	A	26.2	Very low	28.5	Very low	87 Å²	87	125.5 Å²	125.5	72%	0.719	81%	0.814	S	S	*	*			cis	-160.2	172.3	17.8	0	0	0	0	0	113.8
144	I	29	Very low	28.3	Very low	165 Å²	165	127.9 Å²	127.9	85%	0.846	82%	0.818	S	S	*	*			trans	-141.6	128.5	171.3	-63.8	172.8	0	0	0	108.2
145	P	36	Very low	28.2	Very low	130 Å²	130	129.2 Å²	129.2	84%	0.844	82%	0.821	S	S	*	*				-141.3	163.9	113.3	37.4	-23.4	0	0	0	113
146	G	26.9	Very low	28.2	Very low	69 Å²	69	129.9 Å²	129.9	71%	0.711	81%	0.812	S	S	*	*			cis	-167.7	-173.1	3.4	0	0	0	0	0	113.2
147	M	28.1	Very low	28.1	Very low	163 Å²	163	133.8 Å²	133.8	80%	0.803	82%	0.815	S	S	*	*			trans	-70	151.9	-173.6	-58.4	134.4	52.2	0	0	114.4
148	D	24.7	Very low	28.1	Very low	156 Å²	156	130.4 Å²	130.4	83%	0.834	80%	0.802	S	S	*	*				172.3	164.2	100.7	-94.6	-31.3	0	0	0	112.9
149	G	25.8	Very low	28	Very low	82 Å²	82	129.3 Å²	129.3	85%	0.845	80%	0.796	S	S	*	*			trans	100.9	124.6	168.4	0	0	0	0	0	115.7
150	G	24.5	Very low	27.9	Very low	76 Å²	76	131.4 Å²	131.4	78%	0.784	80%	0.801	S	S	*	*			trans	-126.3	-156	178.3	0	0	0	0	0	113.4
151	A	24.1	Very low	27.1	Very low	102 Å²	102	135.9 Å²	135.9	84%	0.843	80%	0.804	S	S	*	*			trans	70.7	89.1	-178.3	0	0	0	0	0	116.3
152	L	27.6	Very low	26.9	Very low	178 Å²	178	133.6 Å²	133.6	93%	0.932	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-99.5	149.3	144.2	-77	174.9	0	0	0	108.7
153	T	29.3	Very low	26.6	Very low	126 Å²	126	130.3 Å²	130.3	77%	0.773	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-90.4	132	-155.9	50.6	0	0	0	0	114.7
154	D	24	Very low	26.6	Very low	163 Å²	163	131.9 Å²	131.9	87%	0.872	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-58.6	139.7	157.4	-72.3	-66.2	0	0	0	111.2
155	T	26.9	Very low	26.5	Very low	136 Å²	136	128.9 Å²	128.9	83%	0.834	79%	0.785	S	S	*	*			trans	-138.2	113.7	155	-56.2	0	0	0	0	108.4
156	S	25.4	Very low	26	Very low	97 Å²	97	132.5 Å²	132.5	68%	0.678	79%	0.788	S	S	*	*			trans	-81.1	159.4	-177	54.9	0	0	0	0	114.1
157	L	26.6	Very low	26.1	Very low	155 Å²	155	136.9 Å²	136.9	81%	0.812	79%	0.794	S	S	*	*			trans	149.6	98.4	139.9	-79.7	165.7	0	0	0	108
158	T	28.7	Very low	26.1	Very low	108 Å²	108	132.7 Å²	132.7	66%	0.663	79%	0.792	S	S	*	*				55.8	90	73.8	72.2	0	0	0	0	115.4
159	D	25.3	Very low	26.4	Very low	150 Å²	150	130.8 Å²	130.8	80%	0.802	79%	0.786	S	S	*	*			trans	33.4	125.5	140.9	-55.9	-68.7	0	0	0	121.7
160	S	27	Very low	26.7	Very low	106 Å²	106	134.7 Å²	134.7	74%	0.741	79%	0.788	S	S	*	*				179.3	125.2	104.2	-79.3	0	0	0	0	115.5
161	Y	26.2	Very low	26.7	Very low	216 Å²	216	134.3 Å²	134.3	85%	0.847	78%	0.783	S	S	*	*			trans	52.1	155.3	136.7	-84.7	-93.6	0	0	0	125
162	F	23.5	Very low	26.7	Very low	182 Å²	182	140 Å²	140	80%	0.798	79%	0.789	S	S	*	*			trans	79.9	91.2	164.6	-84.7	-80.5	0	0	0	121.4
163	S	23.2	Very low	26.6	Very low	90 Å²	90	134.6 Å²	134.6	63%	0.629	78%	0.776	S	S	*	*				75.2	121.6	122	-68	0	0	0	0	124.2
164	T	25.2	Very low	26.4	Very low	119 Å²	119	134.1 Å²	134.1	73%	0.73	78%	0.779	S	S	*	*			trans	65.1	105.2	133	60.8	0	0	0	0	121.7
165	S	27.5	Very low	27.4	Very low	102 Å²	102	131.6 Å²	131.6	71%	0.713	77%	0.771	S	S	*	*				82.5	151.8	117.8	-56	0	0	0	0	121.3
166	F	26.7	Very low	27.4	Very low	207 Å²	207	131.4 Å²	131.4	91%	0.908	77%	0.769	S	S	*	*			trans	71.3	125.3	171.9	-82.2	-82.4	0	0	0	119.2
167	I	29.1	Very low	27.4	Very low	161 Å²	161	134.1 Å²	134.1	83%	0.826	77%	0.771	S	S	*	*			trans	-90.7	124.3	168.6	-67.4	168	0	0	0	107.6	V169	I167-V169 HydrophobicContact CG2-CG2 4.11Å
168	G	28	Very low	27.4	Very low	75 Å²	75	130.9 Å²	130.9	77%	0.773	76%	0.758	S	S	*	*			trans	-133.8	138.5	165.4	0	0	0	0	0	108.2
169	V	29.4	Very low	27.3	Very low	116 Å²	116	134 Å²	134	70%	0.703	76%	0.762	S	S	*	*			trans	-114.6	153.5	-165.8	-159.1	0	0	0	0	111	I167	I167-V169 HydrophobicContact CG2-CG2 4.11Å
170	N	31.8	Very low	27.1	Very low	164 Å²	164	137.6 Å²	137.6	88%	0.877	77%	0.766	S	S	*	*			trans	79.9	133.3	176.9	-51.6	-34.1	0	0	0	116
171	G	25.8	Very low	28.2	Very low	67 Å²	67	137.6 Å²	137.6	69%	0.691	76%	0.764	S	S	*	*			trans	-153	176.1	167.7	0	0	0	0	0	109.4
172	F	24.6	Very low	28.3	Very low	222 Å²	222	134.9 Å²	134.9	97%	0.974	76%	0.763	S	S	*	*			trans	-161	139.6	173.3	-119.3	-83	0	0	0	111.5
173	G	24.5	Very low	28.4	Very low	64 Å²	64	133.6 Å²	133.6	66%	0.66	76%	0.761	S	S	*	*			trans	66.8	95.6	151.8	0	0	0	0	0	121.3
174	S	25.5	Very low	28.6	Very low	117 Å²	117	136.9 Å²	136.9	82%	0.818	77%	0.767	S	S	*	*				26.5	161.4	111.5	-55.2	0	0	0	0	122.4
175	P	45.6	Very low	28.6	Very low	109 Å²	109	141.2 Å²	141.2	71%	0.708	77%	0.77	S	S	*	*			cis	-145.6	-164.9	-35	41.7	-22.7	0	0	0	114.1
176	V	25.8	Very low	28.5	Very low	132 Å²	132	144.2 Å²	144.2	80%	0.8	77%	0.774	S	S	*	*			trans	70.7	151.9	156.7	166	0	0	0	0	116.3
177	E	26.2	Very low	28.5	Very low	155 Å²	155	139.9 Å²	139.9	72%	0.724	77%	0.765	S	S	*	*			cis	-171	-176.9	-25.4	-100.6	-149.9	168.1	0	0	107.8
178	T	26.6	Very low	28.3	Very low	86 Å²	86	139.1 Å²	139.1	53%	0.528	76%	0.763	S	S	.	*			cis	-152	171.1	-16.8	3.6	0	0	0	0	111.2
179	K	25.3	Very low	28.2	Very low	175 Å²	175	140.2 Å²	140.2	76%	0.761	76%	0.758	S	S	*	*			trans	58	114.7	146.3	-70.8	159.3	-175.7	164.3	0	122
180	Y	22.9	Very low	28.1	Very low	224 Å²	224	139.8 Å²	139.8	88%	0.878	76%	0.761	S	S	*	*				19.9	160.9	115.8	-67.6	-62.9	0	0	0	122.4
181	P	49.5	Very low	27.9	Very low	107 Å²	107	137.6 Å²	137.6	70%	0.695	76%	0.758	S	S	*	*			cis	-147.1	-173.8	-19.8	36.3	-13.9	0	0	0	117.7
182	L	27.1	Very low	27.9	Very low	158 Å²	158	139.6 Å²	139.6	83%	0.827	76%	0.762	S	S	*	*			trans	104.6	150.5	135	-142.1	70.7	0	0	0	123
183	M	25.7	Very low	28.5	Very low	155 Å²	155	135.3 Å²	135.3	76%	0.764	76%	0.756	S	S	*	*			trans	80.9	144.7	163.4	-66.1	-178.4	64.3	0	0	120.3
184	Q	27	Very low	28.7	Very low	160 Å²	160	137.5 Å²	137.5	75%	0.748	76%	0.761	S	S	*	*			cis	-168.5	166.1	-28.1	-153.8	-179.1	0.6	0	0	111.8
185	R	25.3	Very low	28.9	Very low	210 Å²	210	140.3 Å²	140.3	79%	0.792	77%	0.766	S	S	*	*			trans	79.1	124.2	167.4	-78.2	-170.8	157.8	154.6	-3.6	117.4
186	M	26.1	Very low	28.1	Very low	164 Å²	164	142.6 Å²	142.6	81%	0.808	77%	0.772	S	S	*	*				91.9	139.3	60.1	-84.1	179.4	162	0	0	112.2
187	T	26.4	Very low	28.2	Very low	116 Å²	116	142.6 Å²	142.6	71%	0.712	77%	0.767	S	S	*	*			cis	-148.1	157.6	19.3	51.8	0	0	0	0	115.7
188	N	25.2	Very low	28.1	Very low	146 Å²	146	141.3 Å²	141.3	78%	0.781	77%	0.765	S	S	*	*			trans	11.4	166.7	137.4	-55.1	7.8	0	0	0	123.6
189	S	25.2	Very low	28.2	Very low	97 Å²	97	142.1 Å²	142.1	68%	0.678	77%	0.774	S	S	*	*			cis	177.9	144.6	-30.3	-82.2	0	0	0	0	113.1
190	S	28	Very low	28.3	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	78%	0.777	S	S	*	*			trans	74.6	148.5	141.9	76.3	0	0	0	0	125.4
191	S	27.7	Very low	28.5	Very low	117 Å²	117	137.5 Å²	137.5	82%	0.818	78%	0.777	S	S	*	*			trans	108.2	142.6	141.2	-53.6	0	0	0	0	121.4
192	S	26.4	Very low	28.4	Very low	110 Å²	110	137.4 Å²	137.4	77%	0.769	78%	0.777	S	S	*	*			trans	-108.2	-178.4	-177.4	-44.6	0	0	0	0	112.9
193	P	36.7	Very low	28.3	Very low	131 Å²	131	140.2 Å²	140.2	85%	0.851	78%	0.778	S	S	*	*				-149.2	-168.7	104.7	39.8	-22.4	0	0	0	115.6
194	S	29.5	Very low	28.3	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	78%	0.775	S	S	*	*			trans	-136.5	159.3	-171.3	-44.2	0	0	0	0	113.2
195	L	28.5	Very low	28.2	Very low	176 Å²	176	133.1 Å²	133.1	92%	0.921	77%	0.772	S	S	*	*			trans	-145.4	175.1	164.9	-83.1	-174	0	0	0	112.3
196	L	28.6	Very low	28.4	Very low	158 Å²	158	132.6 Å²	132.6	83%	0.827	78%	0.777	S	S	*	*			trans	-133.1	162.6	-154.5	-67	165.1	0	0	0	115.5
197	N	27.8	Very low	28.4	Very low	131 Å²	131	131.4 Å²	131.4	70%	0.701	78%	0.775	S	S	*	*			trans	89.2	153.9	138.7	-115.3	54.5	0	0	0	123.7
198	D	25.8	Very low	28.8	Very low	129 Å²	129	131.6 Å²	131.6	69%	0.69	78%	0.778	S	S	*	*			trans	68.6	151.9	158.6	-74.6	-61.3	0	0	0	120.6
199	S	26.6	Very low	29	Very low	102 Å²	102	131.7 Å²	131.7	71%	0.713	78%	0.778	S	S	*	*			cis	-170.5	178.7	-29.4	-115.6	0	0	0	0	112.2
200	A	28.4	Very low	29.1	Very low	99 Å²	99	134.1 Å²	134.1	82%	0.818	79%	0.788	S	S	*	*			trans	80.6	169.1	162	0	0	0	0	0	120.1
201	K	27	Very low	29.2	Very low	203 Å²	203	134.2 Å²	134.2	88%	0.883	79%	0.789	S	S	*	*			trans	-129.7	-142.9	-167.8	-63.1	179.9	178.6	175.6	0	112.4
202	P	46.7	Very low	29.6	Very low	106 Å²	106	134 Å²	134	69%	0.688	79%	0.785	S	S	*	*				-121.5	-179.1	-121.1	39.3	-19.8	0	0	0	114.7
203	Y	25.1	Very low	29.6	Very low	217 Å²	217	133.9 Å²	133.9	85%	0.851	79%	0.79	S	S	*	*				-177.9	-179.3	123.3	-117.1	-97.8	0	0	0	113
204	S	25.6	Very low	29.2	Very low	101 Å²	101	132.1 Å²	132.1	71%	0.706	78%	0.781	S	S	*	*			trans	-47.8	159.1	174.2	50.5	0	0	0	0	115.9
205	G	25.8	Very low	29.2	Very low	65 Å²	65	132.6 Å²	132.6	67%	0.67	78%	0.784	S	S	*	*			cis	115.9	119.1	6.1	0	0	0	0	0	112.6
206	H	28.5	Very low	29.2	Very low	198 Å²	198	131.1 Å²	131.1	92%	0.917	78%	0.777	S	S	*	*			trans	-160.6	131.4	173.5	-112.6	-79.4	0	0	0	111.1
207	D	26.8	Very low	29.2	Very low	140 Å²	140	133.6 Å²	133.6	75%	0.749	78%	0.781	S	S	*	*			trans	-93.5	153.9	162.1	-105.6	-51	0	0	0	109
208	P	35.1	Very low	29.3	Very low	119 Å²	119	135 Å²	135	77%	0.773	79%	0.789	S	S	*	*				-148.3	124.5	94.2	35.5	-16.7	0	0	0	117.2
209	L	29.7	Very low	29.4	Very low	149 Å²	149	135.9 Å²	135.9	78%	0.78	79%	0.794	S	S	*	*				37	96.1	129.1	-63.1	171.7	0	0	0	120
210	T	27.2	Very low	29.4	Very low	148 Å²	148	140.8 Å²	140.8	91%	0.908	80%	0.802	S	S	*	*			trans	-147.9	130.5	131.7	47.7	0	0	0	0	110.7
211	S	29.8	Very low	29.6	Very low	109 Å²	109	139.7 Å²	139.7	76%	0.762	80%	0.801	S	S	*	*			trans	-123.3	168	-177.9	-54.3	0	0	0	0	110.6
212	P	36.9	Very low	29.7	Very low	113 Å²	113	134.1 Å²	134.1	73%	0.734	79%	0.793	S	S	*	*			cis	-129.6	154.3	-36.4	34.5	-20	0	0	0	112.5	S214	P212-S214 PolarHBondContact O-N 2.96Å
213	A	26.1	Very low	28.8	Very low	107 Å²	107	136.4 Å²	136.4	88%	0.884	80%	0.798	S	S	*	*			trans	-84.1	110.8	165.2	0	0	0	0	0	110.1
214	S	28.1	Very low	28.8	Very low	95 Å²	95	133.5 Å²	133.5	66%	0.664	80%	0.798	S	S	*	*			trans	-91.1	111.4	-173.8	56.2	0	0	0	0	113.2	P212 L216	P212-S214 PolarHBondContact O-N 2.96Å; S214-L216 PolarHBondContact O-N 3.25Å
215	S	29.8	Very low	29	Very low	119 Å²	119	135.4 Å²	135.4	83%	0.832	80%	0.798	S	S	*	*			trans	-80.1	109.5	167.1	55.9	0	0	0	0	110.9
216	L	28	Very low	29.1	Very low	146 Å²	146	137.4 Å²	137.4	76%	0.764	80%	0.802	S	S	*	*			trans	-126.5	87.5	-179.9	-75.6	174.6	0	0	0	112.2	S214	S214-L216 PolarHBondContact O-N 3.25Å
217	F	28.5	Very low	29.1	Very low	210 Å²	210	136.6 Å²	136.6	92%	0.921	80%	0.799	S	S	*	*			trans	-149.9	65	156.1	-95.3	-64	0	0	0	110.2
218	N	29.4	Very low	29.2	Very low	160 Å²	160	141.6 Å²	141.6	86%	0.856	81%	0.807	S	S	*	*			trans	-157.7	76.3	166.7	-108.6	-15.8	0	0	0	108.4
219	D	27.9	Very low	28.9	Very low	148 Å²	148	147.8 Å²	147.8	79%	0.791	82%	0.815	S	S	*	*			trans	-173.4	104.5	157.7	-106.6	-29.4	0	0	0	111.1
220	F	26.8	Very low	28.8	Very low	204 Å²	204	150.6 Å²	150.6	90%	0.895	82%	0.821	S	S	*	*			trans	-141	42.1	160	-102.3	-74.3	0	0	0	110.5
221	G	32.5	Very low	28.7	Very low	77 Å²	77	149.6 Å²	149.6	79%	0.794	82%	0.817	S	S	*	*	S	Bend	trans	-107.4	2.2	180	0	0	0	0	0	115.4
222	A	29.1	Very low	28.6	Very low	86 Å²	86	156.2 Å²	156.2	71%	0.711	83%	0.825	S	S	*	*			trans	-150.8	84.6	-171.5	0	0	0	0	0	114.8
223	L	27.3	Very low	28.1	Very low	154 Å²	154	160.1 Å²	160.1	81%	0.806	83%	0.831	S	S	*	*			trans	-136.7	74.4	160.9	-78.9	-178.5	0	0	0	111.7
224	N	26.5	Very low	28.1	Very low	156 Å²	156	166.4 Å²	166.4	83%	0.834	83%	0.833	S	S	*	*			trans	-104.4	104.7	160.2	-175.4	-2	0	0	0	108.3
225	I	30	Very low	27.9	Very low	140 Å²	140	173 Å²	173	72%	0.718	84%	0.844	S	S	*	*			trans	-101.4	111.6	-175.8	-127.2	171	0	0	0	110.5
226	S	27.3	Very low	27.6	Very low	108 Å²	108	176 Å²	176	76%	0.755	85%	0.85	S	S	*	*			trans	-133.4	112.7	159.5	68.3	0	0	0	0	109.4
227	Q	27.6	Very low	27.5	Very low	180 Å²	180	172.5 Å²	172.5	84%	0.841	85%	0.849	S	S	*	*			trans	-84	116.6	-179.7	-66.5	-178.3	-3.9	0	0	110
228	R	30.2	Very low	27.4	Very low	246 Å²	246	170.6 Å²	170.6	93%	0.928	85%	0.845	S	S	*	*			trans	-127.4	143.5	159	-73.5	-165.2	172.6	-158	-0.6	111.3
229	R	28.9	Very low	27.2	Very low	249 Å²	249	171 Å²	171	94%	0.94	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-83.7	141.4	-162.7	-61.6	170.9	177.7	162.9	-2.7	111.5
230	K	26	Very low	27.1	Very low	207 Å²	207	171.6 Å²	171.6	90%	0.9	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-82.3	133.1	169.8	-67	-178	178.4	179	0	111
231	P	26.9	Very low	27.1	Very low	127 Å²	127	168.7 Å²	168.7	83%	0.825	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-76.1	170.3	165	32	-33.2	0	0	0	112
232	R	26.2	Very low	26.8	Very low	248 Å²	248	174.3 Å²	174.3	94%	0.936	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-84.7	161.1	-173.9	-83.9	178.2	164.9	170.7	-5.5	114
233	K	27.3	Very low	26.5	Very low	196 Å²	196	177.9 Å²	177.9	85%	0.852	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-59.4	149.6	173.7	-59.9	177.2	177.3	-179.5	0	112.8
234	Y	25	Very low	26.5	Very low	239 Å²	239	176.9 Å²	176.9	94%	0.937	84%	0.836	S	S	*	*			trans	-126.9	173.8	144.5	-95.1	-78.9	0	0	0	110.1
235	R	24.4	Very low	27.5	Very low	233 Å²	233	174.6 Å²	174.6	88%	0.879	83%	0.83	S	S	*	*			trans	-145	114.1	-153.1	177	-162.6	-168.2	-176.2	5.2	112.5
236	L	24.8	Very low	27.3	Very low	183 Å²	183	176.8 Å²	176.8	96%	0.958	84%	0.84	S	S	*	*			trans	-173.8	153.9	159.4	-127.2	67.1	0	0	0	106.5
237	G	25.5	Very low	27.2	Very low	72 Å²	72	174.9 Å²	174.9	74%	0.742	84%	0.837	S	S	*	*			cis	-163.3	166.8	-6.9	0	0	0	0	0	108.8
238	M	26.1	Very low	27.2	Very low	170 Å²	170	171.4 Å²	171.4	84%	0.837	83%	0.833	S	S	*	*			trans	-80.4	153.6	-177	-68.2	166.6	59.2	0	0	113.2
239	L	25.7	Very low	27	Very low	169 Å²	169	169.8 Å²	169.8	89%	0.885	83%	0.832	S	S	*	*			trans	-163.3	148.1	132.1	-110.3	163.5	0	0	0	111.9
240	E	26.1	Very low	27	Very low	160 Å²	160	162 Å²	162	75%	0.748	82%	0.821	S	S	*	*			trans	-91.4	-176.2	168.9	-60.7	171.4	95.3	0	0	108.1
241	E	25.7	Very low	27.1	Very low	142 Å²	142	162.6 Å²	162.6	66%	0.664	82%	0.818	S	S	*	*			cis	-161.7	-176.3	26.7	-142	-155.2	136	0	0	113.7
242	R	25.4	Very low	27.1	Very low	195 Å²	195	166 Å²	166	74%	0.736	82%	0.82	S	S	*	*			trans	-41.8	154.2	179.9	-59.3	169.6	165.5	97.5	-2.2	118.4
243	L	24.1	Very low	27.1	Very low	161 Å²	161	158.4 Å²	158.4	84%	0.843	81%	0.81	S	S	*	*				177.4	155.4	104.7	-99.3	155.5	0	0	0	115.7
244	V	26.7	Very low	27	Very low	133 Å²	133	158.1 Å²	158.1	81%	0.806	81%	0.809	S	S	*	*			trans	-172.3	173.2	-178.9	-93	0	0	0	0	107.9
245	P	48	Very low	27.2	Very low	108 Å²	108	153 Å²	153	70%	0.701	80%	0.798	S	S	*	*			cis	-135.1	-158.4	5.2	34.2	-9.7	0	0	0	114.9
246	M	25.2	Very low	27.4	Very low	187 Å²	187	148 Å²	148	92%	0.921	80%	0.795	S	S	*	*			trans	79.9	143.7	165.4	-57	-164.5	177.2	0	0	118.6
247	G	25.4	Very low	27.7	Very low	68 Å²	68	146.8 Å²	146.8	70%	0.701	79%	0.788	S	S	*	*			cis	174.3	179	-8.4	0	0	0	0	0	110.2
248	S	26.9	Very low	27.7	Very low	107 Å²	107	147 Å²	147	75%	0.748	79%	0.791	S	S	*	*			cis	163.6	126.5	-15.9	-83.9	0	0	0	0	106.7
249	K	27.1	Very low	27.6	Very low	211 Å²	211	144.4 Å²	144.4	92%	0.917	79%	0.788	S	S	*	*			trans	123.5	153.2	164.7	-70.3	155.6	-174.9	170.9	0	113.4
250	A	28.1	Very low	27.5	Very low	86 Å²	86	144.8 Å²	144.8	71%	0.711	79%	0.789	S	S	*	*			cis	-178.4	148.7	-33.7	0	0	0	0	0	106.5
251	R	28.9	Very low	27.5	Very low	219 Å²	219	140.8 Å²	140.8	83%	0.826	78%	0.784	S	S	*	*				177.9	154.3	66.1	-81	-177.6	166.8	171.1	-3	110.6
252	K	26.6	Very low	27.4	Very low	199 Å²	199	140.9 Å²	140.9	87%	0.865	79%	0.789	S	S	*	*			trans	51.6	137.4	146.3	-67.3	-178.2	176.6	-171.2	0	119.2
253	A	25.3	Very low	27.4	Very low	88 Å²	88	140.2 Å²	140.2	73%	0.727	79%	0.786	S	S	*	*			cis	-156.3	-144.3	-6	0	0	0	0	0	106.4
254	K	26.8	Very low	27.5	Very low	191 Å²	191	138.6 Å²	138.6	83%	0.83	79%	0.787	S	S	*	*			cis	-167.7	138.1	0.9	-166.3	-167.2	-172.7	-170.9	0	106.6
255	N	27.9	Very low	27.5	Very low	132 Å²	132	140.2 Å²	140.2	71%	0.706	78%	0.783	S	S	*	*			cis	-147.4	149.2	-22.9	-96.1	15.5	0	0	0	106.1
256	P	29.6	Very low	26.4	Very low	127 Å²	127	140.3 Å²	140.3	83%	0.825	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-82.7	155.9	174	34.1	-34.3	0	0	0	112.9
257	I	29.7	Very low	26.5	Very low	158 Å²	158	135.4 Å²	135.4	81%	0.81	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-87.8	135.1	169.9	-65.6	171.9	0	0	0	108.9
258	G	26.3	Very low	26.5	Very low	77 Å²	77	137.8 Å²	137.8	79%	0.794	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-97.7	136.4	171.4	0	0	0	0	0	111.5
259	C	24.1	Very low	26.5	Very low	115 Å²	115	137.9 Å²	137.9	78%	0.777	78%	0.783	S	S	*	*			trans	-125.1	121.5	175.2	-65.4	0	0	0	0	109.9
260	L	23.6	Very low	26.5	Very low	176 Å²	176	135.8 Å²	135.8	92%	0.921	78%	0.78	S	S	*	*			trans	-178.6	139.8	166.4	-94.9	158.9	0	0	0	105.2
261	A	26.1	Very low	26.4	Very low	76 Å²	76	138 Å²	138	63%	0.628	78%	0.78	S	S	*	*			cis	-158	156.2	-8.6	0	0	0	0	0	109.3
262	D	23.3	Very low	26.2	Very low	144 Å²	144	136.3 Å²	136.3	77%	0.77	78%	0.784	S	S	*	*				154.8	167.5	129.9	-92.2	-20.2	0	0	0	112.3
263	R	26.2	Very low	26.2	Very low	181 Å²	181	131.9 Å²	131.9	68%	0.683	77%	0.773	S	S	*	*			cis	166.3	83.3	-40.2	178.6	-175.8	-175.8	-161.3	7.4	109.5
264	C	25.8	Very low	26.3	Very low	128 Å²	128	137.9 Å²	137.9	87%	0.865	78%	0.777	S	S	*	*			trans	-117	123.1	159	-63.7	0	0	0	0	106.7
265	K	25.8	Very low	26.2	Very low	166 Å²	166	138.3 Å²	138.3	72%	0.722	77%	0.774	S	S	*	*			cis	55.6	77.2	39.4	-69.1	-167.5	171.9	-172.6	0	114
266	S	26.2	Very low	26.1	Very low	111 Å²	111	138.2 Å²	138.2	78%	0.776	77%	0.773	S	S	*	*				178.7	118.5	110.2	55.9	0	0	0	0	110.3
267	G	26.2	Very low	25.9	Very low	84 Å²	84	141.8 Å²	141.8	87%	0.866	77%	0.77	S	S	*	*			trans	-82.6	131	164.6	0	0	0	0	0	109.8
268	V	25.2	Very low	25.7	Very low	117 Å²	117	140.5 Å²	140.5	71%	0.709	77%	0.769	S	S	*	*			trans	-129.3	124.5	165.4	-179	0	0	0	0	106.6	I270	V268-I270 PolarHBondContact O-N 3.42Å
269	P	27.7	Very low	25.8	Very low	110 Å²	110	143 Å²	143	71%	0.714	77%	0.769	S	S	*	*			trans	-69.6	127.8	179.3	28	-33.2	0	0	0	110.1	N271	P269-N271 PolarHBondContact O-N 3.46Å
270	I	27.2	Very low	25.8	Very low	166 Å²	166	146.4 Å²	146.4	85%	0.851	77%	0.774	S	S	*	*			trans	-73.9	97	171.7	-62	179.4	0	0	0	107.9	V268 M272	V268-I270 PolarHBondContact O-N 3.42Å; I270-M272 PolarHBondContact O-N 3.27Å
271	N	25.3	Very low	25.9	Very low	134 Å²	134	144.8 Å²	144.8	72%	0.717	77%	0.766	S	S	*	*			trans	-64.2	121.2	174.4	-114.9	-26.5	0	0	0	110.1	P269 V273	P269-N271 PolarHBondContact O-N 3.46Å; N271-V273 HydrophobicContact CB-CG2 4.26Å; N271-V273 PolarHBondContact O-N 3.13Å
272	M	25.4	Very low	25.9	Very low	182 Å²	182	147.5 Å²	147.5	90%	0.897	77%	0.77	S	S	*	*			trans	-74.8	70.8	170	-78.7	178.1	56	0	0	110.7	I270 W274	I270-M272 PolarHBondContact O-N 3.27Å; M272-W274 PolarHBondContact O-N 2.88Å
273	V	27.2	Very low	26.2	Very low	106 Å²	106	148.6 Å²	148.6	64%	0.642	78%	0.775	S	S	*	*			trans	-75.9	121.5	170.9	170	0	0	0	0	109.5	N271 W275	N271-V273 HydrophobicContact CB-CG2 4.26Å; N271-V273 PolarHBondContact O-N 3.13Å; V273-W275 PolarHBondContact O-N 3.24Å
274	W	26.6	Very low	26.2	Very low	214 Å²	214	147.7 Å²	147.7	81%	0.811	78%	0.779	S	S	*	*			trans	-60.7	126.5	167.8	-94.8	47.5	0	0	0	111.1	M272 N276	M272-W274 PolarHBondContact O-N 2.88Å; W274-N276 PolarHBondContact O-N 2.83Å
275	W	23.9	Very low	26.3	Very low	201 Å²	201	147.7 Å²	147.7	76%	0.761	78%	0.775	S	S	*	*			trans	-86.8	83.9	164.8	-88.3	101.5	0	0	0	110.8	V273 R277	V273-W275 PolarHBondContact O-N 3.24Å; W275-R277 VanDerWaalsContact CZ3-NH2 3.33Å
276	N	26.8	Very low	26.5	Very low	130 Å²	130	145.9 Å²	145.9	70%	0.695	78%	0.78	S	S	*	*			trans	-78.6	116.5	153.3	-90.1	-24.6	0	0	0	108.3	W274	W274-N276 PolarHBondContact O-N 2.83Å
277	R	25.1	Very low	26.6	Very low	201 Å²	201	148.3 Å²	148.3	76%	0.758	78%	0.784	S	S	*	*			trans	-132.5	80	168.5	-170.9	-174	-72.7	-162.5	-1.4	109.8	W275	W275-R277 VanDerWaalsContact CZ3-NH2 3.33Å
278	V	26.6	Very low	27.5	Very low	132 Å²	132	149.2 Å²	149.2	80%	0.8	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-101.8	146	159.6	178.5	0	0	0	0	107.3
279	T	28.7	Very low	27.6	Very low	128 Å²	128	150.3 Å²	150.3	79%	0.785	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-67.5	127.6	-168.2	47.5	0	0	0	0	113.7
280	E	23.5	Very low	27.6	Very low	188 Å²	188	149.3 Å²	149.3	88%	0.879	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-68.8	143.1	155.1	-65.5	-175.9	132.9	0	0	110.1
281	N	25.5	Very low	27.6	Very low	142 Å²	142	146.9 Å²	146.9	76%	0.759	78%	0.781	S	S	*	*			trans	-155.5	106.3	158	-135.7	-28.3	0	0	0	110.6
282	N	26.3	Very low	27.5	Very low	132 Å²	132	149.3 Å²	149.3	71%	0.706	79%	0.788	S	S	*	*			trans	41.8	113.2	161.1	-70.3	-85.6	0	0	0	119.9
283	L	28.7	Very low	27.4	Very low	168 Å²	168	149.6 Å²	149.6	88%	0.88	78%	0.784	S	S	*	*				-158.1	159.6	116	-131.4	69.8	0	0	0	113
284	Q	26.7	Very low	27.5	Very low	162 Å²	162	152.1 Å²	152.1	76%	0.757	79%	0.792	S	S	*	*			trans	-63.4	148.3	-168.3	-102.4	70.9	2.8	0	0	117.2
285	T	27.2	Very low	27.8	Very low	127 Å²	127	145.8 Å²	145.8	78%	0.779	78%	0.779	S	S	*	*			trans	-67.1	153.7	153.7	55.1	0	0	0	0	111.9
286	P	31.1	Very low	27.9	Very low	128 Å²	128	146 Å²	146	83%	0.831	79%	0.786	S	S	*	*				-134.1	175.3	102	37.9	-29.1	0	0	0	114.8
287	N	28.1	Very low	27.9	Very low	163 Å²	163	143.9 Å²	143.9	87%	0.872	79%	0.794	S	S	*	*			trans	-98.9	-175.6	-170.3	-127.8	8.2	0	0	0	112.5
288	P	44.4	Very low	27.9	Very low	103 Å²	103	137.8 Å²	137.8	67%	0.669	79%	0.793	S	S	*	*			trans	-112.2	167.3	-150.2	43	-39	0	0	0	116.2
289	T	27.8	Very low	28	Very low	139 Å²	139	136.4 Å²	136.4	85%	0.853	79%	0.79	S	S	*	*			trans	-162.4	150.2	159	36.8	0	0	0	0	112.7
290	A	26.7	Very low	27.9	Very low	90 Å²	90	136 Å²	136	74%	0.744	79%	0.788	S	S	*	*			trans	60.3	123.5	161.7	0	0	0	0	0	117.8
291	S	27.1	Very low	28.1	Very low	115 Å²	115	131.8 Å²	131.8	80%	0.804	78%	0.778	S	S	*	*			cis	85.2	95	48	-62.1	0	0	0	0	114.4
292	E	23.9	Very low	28.2	Very low	185 Å²	185	135.7 Å²	135.7	86%	0.864	78%	0.783	S	S	*	*				54.3	104.5	127.6	-169.5	171.3	-135	0	0	119.7
293	F	24.1	Very low	28.1	Very low	188 Å²	188	136.4 Å²	136.4	83%	0.825	79%	0.786	S	S	*	*			trans	-152.6	124.4	139.3	-146.4	-110.3	0	0	0	113.2	P295	F293-P295 HydrophobicContact CE1-CG 4.21Å
294	I	28.1	Very low	28	Very low	158 Å²	158	133.1 Å²	133.1	81%	0.81	78%	0.777	S	S	*	*			trans	-138.8	120.1	167.1	-66.7	175.9	0	0	0	107
295	P	34.1	Very low	28	Very low	81 Å²	81	132.4 Å²	132.4	53%	0.526	78%	0.778	S	S	.	*				-146.2	128.9	123.8	33.1	-16.5	0	0	0	116.2	F293	F293-P295 HydrophobicContact CE1-CG 4.21Å
296	K	25.6	Very low	28	Very low	207 Å²	207	132.1 Å²	132.1	90%	0.9	78%	0.776	S	S	*	*				52.3	125.2	126.7	-55.3	170.4	-177.8	174.3	0	120.2
297	G	26	Very low	27.8	Very low	84 Å²	84	131.5 Å²	131.5	87%	0.866	77%	0.774	S	S	*	*			trans	161.9	139.3	142.9	0	0	0	0	0	116.2
298	G	26.5	Very low	27.7	Very low	73 Å²	73	132 Å²	132	75%	0.753	77%	0.772	S	S	*	*			trans	95.9	70.4	148.7	0	0	0	0	0	119.6
299	S	27.1	Very low	26.9	Very low	104 Å²	104	132.2 Å²	132.2	73%	0.727	78%	0.776	S	S	*	*			trans	9.5	144.8	132.6	53.8	0	0	0	0	122.8
300	T	28.5	Very low	26.9	Very low	120 Å²	120	132.7 Å²	132.7	74%	0.736	77%	0.773	S	S	*	*			trans	74.2	91.7	140.2	49.7	0	0	0	0	122.3
301	S	26.1	Very low	26.9	Very low	98 Å²	98	136 Å²	136	69%	0.685	78%	0.775	S	S	*	*				69.8	130.4	111.4	72.7	0	0	0	0	124.2
302	R	27.4	Very low	27	Very low	225 Å²	225	135 Å²	135	85%	0.849	77%	0.768	S	S	*	*			trans	81.6	115.6	138.7	-75.7	175.3	-179	-168.7	1.3	121.8
303	L	25.9	Very low	27.3	Very low	147 Å²	147	130.6 Å²	130.6	77%	0.77	76%	0.763	S	S	*	*				77.8	108.8	128.1	-67.3	167.8	0	0	0	122.2
304	S	26.7	Very low	27.4	Very low	99 Å²	99	130.8 Å²	130.8	69%	0.692	76%	0.764	S	S	*	*				84.5	135.7	123.9	69.2	0	0	0	0	123.2
305	N	25	Very low	27.4	Very low	146 Å²	146	127.3 Å²	127.3	78%	0.781	75%	0.754	S	S	*	*			trans	92.4	105.6	145	-71.8	1.7	0	0	0	123.7
306	V	28.1	Very low	27.3	Very low	121 Å²	121	131.5 Å²	131.5	73%	0.733	77%	0.766	S	S	*	*				57.8	115.2	119.1	-178.1	0	0	0	0	120.7
307	S	26.5	Very low	27.4	Very low	115 Å²	115	126.3 Å²	126.3	80%	0.804	75%	0.752	S	S	*	*			trans	175.1	159.6	130.8	31.3	0	0	0	0	109.5
308	Q	26.7	Very low	27.4	Very low	174 Å²	174	131 Å²	131	81%	0.813	75%	0.749	S	S	*	*			cis	172.2	127.2	-33.3	-123.6	-171.6	-7.2	0	0	107.2
309	S	27.3	Very low	27.3	Very low	108 Å²	108	132.4 Å²	132.4	76%	0.755	75%	0.747	S	S	*	*			trans	170.1	119	154	27.6	0	0	0	0	109.2
310	N	26.9	Very low	27.4	Very low	148 Å²	148	136.2 Å²	136.2	79%	0.791	75%	0.753	S	S	*	*				77.3	139.2	75.2	-68.2	-0.8	0	0	0	113.4
311	M	26.7	Very low	28.3	Very low	160 Å²	160	136.1 Å²	136.1	79%	0.788	75%	0.754	S	S	*	*			cis	-171.2	166.7	-6.1	-103.1	177.3	70.3	0	0	106.9
312	S	30.5	Very low	28.4	Very low	93 Å²	93	136.8 Å²	136.8	65%	0.65	76%	0.759	S	S	*	*			cis	-173.2	-162.1	-13.7	59.1	0	0	0	0	109.7
313	A	29.7	Very low	28.3	Very low	93 Å²	93	135.1 Å²	135.1	77%	0.769	76%	0.763	S	S	*	*			trans	80.6	145.8	170.3	0	0	0	0	0	118.2
314	F	26.3	Very low	28.1	Very low	193 Å²	193	131.6 Å²	131.6	85%	0.846	76%	0.762	S	S	*	*			cis	-142	164.7	16.2	-162.3	-97.7	0	0	0	113.7
315	S	28.9	Very low	28.1	Very low	85 Å²	85	132.6 Å²	132.6	59%	0.594	77%	0.769	S	S	*	*			trans	-20.5	144.5	-176.5	-65.9	0	0	0	0	122.2
316	Q	31.2	Very low	28.9	Very low	168 Å²	168	131.5 Å²	131.5	79%	0.785	77%	0.77	S	S	*	*			cis	82.7	149.7	45	-67.2	-71.3	-17.8	0	0	114.6
317	V	28.3	Very low	28.8	Very low	98 Å²	98	129.3 Å²	129.3	59%	0.594	77%	0.765	S	S	*	*			cis	-134.9	-165.2	11.3	-133	0	0	0	0	110.4
318	F	25.5	Very low	28.8	Very low	184 Å²	184	130.5 Å²	130.5	81%	0.807	77%	0.767	S	S	*	*			cis	-149.4	-144.7	17.7	-82.9	-60.4	0	0	0	108.8
319	S	25.1	Very low	28.7	Very low	101 Å²	101	126.8 Å²	126.8	71%	0.706	77%	0.766	S	S	*	*				-147.9	-179.3	-83.1	-78.8	0	0	0	0	112.7
320	H	27.8	Very low	28.5	Very low	185 Å²	185	125.2 Å²	125.2	86%	0.856	77%	0.767	S	S	*	*			trans	-116	-162	179.1	-67.4	-90.8	0	0	0	111.3
321	P	48.8	Very low	28.4	Very low	117 Å²	117	126.9 Å²	126.9	76%	0.76	78%	0.775	S	S	*	*			cis	-148.3	158.3	-0.4	42.4	-20.8	0	0	0	121.8
322	S	26.2	Very low	28.3	Very low	113 Å²	113	123.5 Å²	123.5	79%	0.79	77%	0.772	S	S	*	*			trans	70.8	159.9	133.9	-147.7	0	0	0	0	127.1
323	M	26.4	Very low	28.7	Very low	190 Å²	190	125.4 Å²	125.4	94%	0.936	78%	0.783	S	S	*	*			trans	90.7	124.9	157.5	-67.2	-92.9	-114.9	0	0	122.3
324	G	22.7	Very low	28.4	Very low	72 Å²	72	124.6 Å²	124.6	74%	0.742	78%	0.784	S	S	*	*			trans	159.2	126.2	164.4	0	0	0	0	0	116.5
325	S	25.3	Very low	28.4	Very low	121 Å²	121	124 Å²	124	85%	0.846	79%	0.786	S	S	*	*			trans	-172.8	159.3	174.7	-83.9	0	0	0	0	109
326	P	41.7	Very low	28	Very low	122 Å²	122	124.3 Å²	124.3	79%	0.792	79%	0.788	S	S	*	*			cis	-153.7	-168	44.2	44.1	-22	0	0	0	118.8
327	A	27.2	Very low	27.6	Very low	76 Å²	76	123.9 Å²	123.9	63%	0.628	79%	0.79	S	S	*	*			trans	80.3	111	147.3	0	0	0	0	0	121.2
328	T	25	Very low	27.3	Very low	139 Å²	139	124.4 Å²	124.4	85%	0.853	80%	0.798	S	S	*	*				95.8	144.5	99.7	50.9	0	0	0	0	115.7
329	A	25.1	Very low	27.2	Very low	97 Å²	97	120.7 Å²	120.7	80%	0.802	80%	0.801	S	S	*	*			cis	-168.5	160.7	-12.2	0	0	0	0	0	112.5
330	G	23.3	Very low	27	Very low	75 Å²	75	119.3 Å²	119.3	77%	0.773	80%	0.803	S	S	*	*			trans	78.1	153.8	163.6	0	0	0	0	0	117.2
331	L	24.2	Very low	27	Very low	182 Å²	182	116.5 Å²	116.5	95%	0.953	80%	0.804	S	S	*	*			cis	-151.5	172	-2.9	-88.2	171.7	0	0	0	110
332	A	25	Very low	26.2	Very low	89 Å²	89	116.1 Å²	116.1	74%	0.736	80%	0.804	S	S	*	*			trans	-143.5	179	168.5	0	0	0	0	0	108.7
333	P	38.7	Very low	26.5	Very low	133 Å²	133	116.5 Å²	116.5	86%	0.864	80%	0.804	S	S	*	*			cis	-127.5	-167	-5.6	42.6	-26.2	0	0	0	113.1
334	G	24.2	Very low	26.6	Very low	77 Å²	77	113.7 Å²	113.7	79%	0.794	79%	0.792	S	S	*	*			trans	-179.5	158.6	169.6	0	0	0	0	0	116
335	M	25.2	Very low	26.8	Very low	180 Å²	180	118.2 Å²	118.2	89%	0.887	79%	0.794	S	S	*	*			trans	-127.3	164.8	179.5	-72.9	-175.9	69	0	0	112.6
336	S	21.6	Very low	27	Very low	92 Å²	92	117.1 Å²	117.1	64%	0.643	79%	0.786	S	S	*	*			trans	81.1	121.5	148.8	-72.6	0	0	0	0	121.9
337	L	22.9	Very low	26.9	Very low	159 Å²	159	117.3 Å²	117.3	83%	0.832	79%	0.787	S	S	*	*			trans	74.8	142.1	132	-62	171.5	0	0	0	122.1
338	S	21.6	Very low	26.9	Very low	109 Å²	109	122.4 Å²	122.4	76%	0.762	80%	0.795	S	S	*	*			trans	88.7	102.5	147	-61.6	0	0	0	0	122.2
339	A	22.7	Very low	26.9	Very low	105 Å²	105	123.9 Å²	123.9	87%	0.868	80%	0.796	S	S	*	*				73.5	125.3	116.7	0	0	0	0	0	123.3
340	G	22.6	Very low	27.3	Very low	72 Å²	72	124.2 Å²	124.2	74%	0.742	79%	0.789	S	S	*	*			trans	96.5	160.3	144.7	0	0	0	0	0	117.3
341	S	26.1	Very low	28.1	Very low	126 Å²	126	126 Å²	126	88%	0.881	79%	0.786	S	S	*	*			cis	-162.8	161.7	-12.5	-92.1	0	0	0	0	110.8
342	S	32.4	Very low	28.2	Very low	109 Å²	109	125.2 Å²	125.2	76%	0.762	78%	0.777	S	S	*	*			trans	-75.1	173.9	179.6	-31.5	0	0	0	0	114.4
343	P	32.8	Very low	28.2	Very low	122 Å²	122	127.1 Å²	127.1	79%	0.792	78%	0.78	S	S	*	*			trans	-133.1	171.5	140	39	-28.9	0	0	0	113.7
344	L	29.1	Very low	27.6	Very low	130 Å²	130	126.1 Å²	126.1	68%	0.681	78%	0.776	S	S	*	*				-173	140.2	-51.5	-135.7	150	0	0	0	108.4
345	H	27	Very low	28	Very low	167 Å²	167	128.4 Å²	128.4	77%	0.773	78%	0.777	S	S	*	*			trans	152.6	95.9	140.6	-84	89.4	0	0	0	114.5
346	S	27.9	Very low	28.3	Very low	98 Å²	98	124.6 Å²	124.6	69%	0.685	78%	0.775	S	S	*	*				42.6	150.9	106.5	-58.1	0	0	0	0	121.5
347	P	39.7	Very low	28.7	Very low	127 Å²	127	126 Å²	126	83%	0.825	78%	0.781	S	S	*	*			cis	-131.2	178.1	25.9	39.6	-22.3	0	0	0	117.7
348	K	27.1	Very low	28.9	Very low	182 Å²	182	129.7 Å²	129.7	79%	0.791	78%	0.784	S	S	*	*			trans	-110.8	160.8	179.9	-65.3	175.5	175	176.4	0	112.3
349	I	26.8	Very low	29.1	Very low	170 Å²	170	135.1 Å²	135.1	87%	0.872	79%	0.788	S	S	*	*			trans	-134.2	141.8	140.6	-54.3	-179.1	0	0	0	108.9
350	T	32.3	Very low	29.2	Very low	105 Å²	105	141.1 Å²	141.1	64%	0.644	79%	0.788	S	S	*	*			trans	-158.4	167.2	-174.5	44.4	0	0	0	0	107.9
351	P	39.5	Very low	29.7	Very low	111 Å²	111	142.2 Å²	142.2	72%	0.721	78%	0.784	S	S	*	*			cis	-133.1	-147.5	26.6	34	-7.2	0	0	0	111.9
352	H	28	Very low	29.7	Very low	166 Å²	166	145.2 Å²	145.2	77%	0.769	78%	0.784	S	S	*	*			cis	-161.6	-162.9	10.6	-148.7	-2.4	0	0	0	114.2
353	T	24.7	Very low	29.7	Very low	130 Å²	130	146.5 Å²	146.5	80%	0.798	79%	0.787	S	S	*	*			trans	62.5	159.5	170.2	53.2	0	0	0	0	119.4
354	S	24.7	Very low	29.5	Very low	112 Å²	112	146.6 Å²	146.6	78%	0.783	79%	0.788	S	S	*	*			trans	-139.3	-171.6	-152.8	-37.1	0	0	0	0	110.2
355	P	32.8	Very low	29.6	Very low	124 Å²	124	147.3 Å²	147.3	81%	0.805	79%	0.793	S	S	*	*			cis	-129.8	-170.1	-11.5	41.4	-24.7	0	0	0	113.2
356	A	31.1	Very low	29.9	Very low	101 Å²	101	145 Å²	145	84%	0.835	79%	0.793	S	S	*	*			trans	-136.1	132.1	175	0	0	0	0	0	113.6
357	P	31.6	Very low	29.8	Very low	121 Å²	121	144.3 Å²	144.3	79%	0.786	79%	0.793	S	S	*	*			trans	-123.4	128.7	170.9	36.3	-23.3	0	0	0	115.7
358	R	25.8	Very low	29.1	Very low	236 Å²	236	143.4 Å²	143.4	89%	0.891	79%	0.789	S	S	*	*			trans	24.8	111.8	151	-74.4	-178.8	162.2	-163.3	-2.8	121.7
359	R	27.6	Very low	29.2	Very low	223 Å²	223	145.3 Å²	145.3	84%	0.842	79%	0.793	S	S	*	*				45.4	104.8	110.1	-168	-165.3	-160.6	-145.8	5	119
360	R	24.4	Very low	29.2	Very low	232 Å²	232	145.1 Å²	145.1	88%	0.875	79%	0.79	S	S	*	*				-163.6	159.6	113.2	-106	178	-163	-156.9	4.5	112.2
361	S	32.3	Very low	29	Very low	95 Å²	95	146 Å²	146	66%	0.664	80%	0.796	S	S	*	*			trans	-72	150.9	176.2	49.8	0	0	0	0	113.1
362	H	26.1	Very low	28.7	Very low	188 Å²	188	146.6 Å²	146.6	87%	0.87	80%	0.799	S	S	*	*				-162.7	143.6	129.5	-93.9	-65.9	0	0	0	110.2
363	T	32.6	Very low	28.6	Very low	136 Å²	136	143.6 Å²	143.6	83%	0.834	80%	0.797	S	S	*	*			trans	-95.6	153.1	170.9	45.2	0	0	0	0	110.6
364	P	28.9	Very low	28.9	Very low	125 Å²	125	143 Å²	143	81%	0.812	80%	0.798	S	S	*	*			trans	-121.6	133.1	151.3	33.9	-23.3	0	0	0	112
365	N	31	Very low	28.9	Very low	145 Å²	145	143 Å²	143	78%	0.775	81%	0.805	S	S	*	*			trans	-89.2	147.5	166.7	-179.6	61.6	0	0	0	109.6
366	P	33.2	Very low	28.7	Very low	119 Å²	119	142.1 Å²	142.1	77%	0.773	80%	0.802	S	S	*	*			trans	-119.9	134.8	160.5	35.3	-24.5	0	0	0	112.8
367	A	25	Very low	28.4	Very low	83 Å²	83	144.6 Å²	144.6	69%	0.686	81%	0.807	S	S	*	*			trans	-140.7	150.8	165	0	0	0	0	0	109.8
368	S	26.6	Very low	28.1	Very low	107 Å²	107	143.9 Å²	143.9	75%	0.748	81%	0.805	S	S	*	*			trans	62.7	111.1	172.8	-65.9	0	0	0	0	118.9
369	Y	27.6	Very low	28.2	Very low	223 Å²	223	139.6 Å²	139.6	88%	0.875	80%	0.804	S	S	*	*				-159.8	101	126.3	-87.3	-65.9	0	0	0	106.6
370	M	27.7	Very low	28.2	Very low	165 Å²	165	135.9 Å²	135.9	81%	0.813	80%	0.801	S	S	*	*				76.2	134.8	89.3	-71.9	-148.4	77.4	0	0	115.7
371	V	28.8	Very low	28.5	Very low	125 Å²	125	131.9 Å²	131.9	76%	0.758	80%	0.797	S	S	*	*			trans	-106.8	147.8	-179.1	177.2	0	0	0	0	109.9
372	P	32.2	Very low	28.6	Very low	123 Å²	123	132.6 Å²	132.6	80%	0.799	80%	0.799	S	S	*	*			trans	-130.7	169.9	139.2	27.4	-10	0	0	0	113.4
373	S	25.3	Very low	28.6	Very low	103 Å²	103	130 Å²	130	72%	0.72	80%	0.797	S	S	*	*			trans	-107.8	155.6	-160.7	-49.4	0	0	0	0	115.5
374	S	31.6	Very low	28.5	Very low	117 Å²	117	129.1 Å²	129.1	82%	0.818	80%	0.796	S	S	*	*			trans	39.4	114.6	141.1	62.5	0	0	0	0	120.5
375	A	25.6	Very low	28.5	Very low	111 Å²	111	131.7 Å²	131.7	92%	0.917	80%	0.797	S	S	*	*			trans	-146.5	154	152.3	0	0	0	0	0	110.6
376	S	27.1	Very low	28.7	Very low	107 Å²	107	131.5 Å²	131.5	75%	0.748	80%	0.802	S	S	*	*			trans	-112.7	141	-174.4	55.4	0	0	0	0	112.7
377	T	25.5	Very low	28.5	Very low	153 Å²	153	131.8 Å²	131.8	94%	0.939	80%	0.803	S	S	*	*			trans	-175.9	170.6	133.9	18.2	0	0	0	0	111.8
378	S	26.3	Very low	28.6	Very low	106 Å²	106	133.2 Å²	133.2	74%	0.741	81%	0.808	S	S	*	*			trans	-128.8	142.3	-165.4	55.3	0	0	0	0	113.4
379	V	26.5	Very low	28.8	Very low	146 Å²	146	134.4 Å²	134.4	89%	0.885	82%	0.816	S	S	*	*			trans	-142.7	147.8	156.6	-167.7	0	0	0	0	109.8
380	N	27.4	Very low	28.9	Very low	145 Å²	145	126.7 Å²	126.7	78%	0.775	81%	0.805	S	S	*	*			trans	-71	176.8	175	-60.8	-26.8	0	0	0	111.5
381	N	30.4	Very low	29.3	Very low	148 Å²	148	127 Å²	127	79%	0.791	80%	0.804	S	S	*	*			cis	-157.1	169.1	26.6	-139.9	16.6	0	0	0	110.5
382	P	35.1	Very low	29.7	Very low	109 Å²	109	127.1 Å²	127.1	71%	0.708	81%	0.805	S	S	*	*			trans	-95.9	153.4	-168.8	36.9	-34.6	0	0	0	115.2
383	V	27.2	Very low	30.3	Very low	135 Å²	135	126.1 Å²	126.1	82%	0.818	79%	0.792	S	S	*	*			trans	-135.9	129.6	153.8	175.8	0	0	0	0	108.6
384	S	30	Very low	31.4	Very low	117 Å²	117	127.7 Å²	127.7	82%	0.818	79%	0.788	S	S	*	*			trans	-96	117.5	-178.7	53.2	0	0	0	0	112
385	Q	28.7	Very low	32.4	Very low	179 Å²	179	128.9 Å²	128.9	84%	0.836	78%	0.778	S	S	*	*			trans	-139.7	135.2	163.8	-70.1	-170.1	0.7	0	0	111
386	T	34.1	Very low	33.4	Very low	141 Å²	141	128.8 Å²	128.8	87%	0.865	76%	0.759	S	S	*	*			trans	-91.5	136.4	172.4	48.8	0	0	0	0	111
387	P	30.1	Very low	34.3	Very low	124 Å²	124	127.3 Å²	127.3	81%	0.805	75%	0.745	S	S	*	*			trans	-121.2	160.6	152.7	28.9	-13.7	0	0	0	113.2
388	S	27.2	Very low	35.2	Very low	114 Å²	114	124.2 Å²	124.2	80%	0.797	73%	0.726	S	S	*	*			trans	-71.2	162.3	-179.6	47.8	0	0	0	0	113.8	G390	S388-G390 PolarHBondContact O-N 3.36Å
389	S	31.3	Very low	36.1	Very low	131 Å²	131	123.2 Å²	123.2	92%	0.916	73%	0.732	S	S	*	*			trans	-67.3	97.5	173.9	55	0	0	0	0	112.3
390	G	29.1	Very low	37.4	Very low	61 Å²	61	119.8 Å²	119.8	63%	0.629	73%	0.726	S	S	*	*			trans	-115.3	140.2	160.9	0	0	0	0	0	110	S388 V392	S388-G390 PolarHBondContact O-N 3.36Å; G390-V392 PolarHBondContact O-N 2.71Å
391	Q	36.6	Very low	38	Very low	173 Å²	173	116.4 Å²	116.4	81%	0.808	71%	0.711	S	S	*	*			trans	-70.9	127	176.4	-73.3	-161.8	-47.9	0	0	110.8	I393	Q391-I393 PolarHBondContact O-N 2.9Å; Q391-I393 VanDerWaalsContact O-N 3.16Å
392	V	36.7	Very low	39.6	Very low	126 Å²	126	111.6 Å²	111.6	76%	0.764	69%	0.687	S	S	*	*			trans	-79	97.5	176.6	-179.1	0	0	0	0	108.8	G390 Q394	G390-V392 PolarHBondContact O-N 2.71Å; V392-Q394 HydrophobicContact CG1-CG 4.5Å; V392-Q394 PolarHBondContact O-N 3.22Å
393	I	44.2	Very low	40.2	Very low	103 Å²	103	112.2 Å²	112.2	53%	0.528	68%	0.676	S	S	.	*			trans	-77.5	108.8	169.4	-57.6	174.2	0	0	0	107.5	Q391 K395 F404	Q391-I393 PolarHBondContact O-N 2.9Å; Q391-I393 VanDerWaalsContact O-N 3.16Å; I393-K395 PolarHBondContact O-N 2.88Å; I393-F404 HydrophobicContact CG2-CB 4.15Å; I393-F404 HydrophobicContact CG2-CD1 3.85Å; I393-F404 HydrophobicContact CG2-CG 4.49Å
394	Q	49.5	Very low	41.2	Very low	136 Å²	136	112.4 Å²	112.4	64%	0.636	67%	0.666	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73	127.7	171.1	-77.1	-168.7	-11.6	0	0	109.8	V392 Y405	V392-Q394 HydrophobicContact CG1-CG 4.5Å; V392-Q394 PolarHBondContact O-N 3.22Å; Q394-Y405 PolarHBondContact O-N 3.3Å
395	K	52.2	Low	41.8	Very low	141 Å²	141	112.6 Å²	112.6	61%	0.613	65%	0.65	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.2	105.2	-178.4	-175.5	-162.7	-179.4	-167.4	0	108.6	I393 T402 F404	I393-K395 PolarHBondContact O-N 2.88Å; K395-T402 HydrophobicContact CD-CG2 4.07Å; K395-T402 HydrophobicContact CG-CG2 3.45Å; K395-T402 VanDerWaalsContact CG-CG2 3.45Å; K395-F404 HydrophobicContact CB-CD1 4.4Å; K395-F404 HydrophobicContact CB-CE1 4.44Å; K395-F404 HydrophobicContact CD-CE1 4.27Å; K395-F404 HydrophobicContact CG-CD1 4.23Å; K395-F404 HydrophobicContact CG-CE1 3.93Å
396	E	46.3	Very low	42.3	Very low	109 Å²	109	108.7 Å²	108.7	51%	0.509	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.2	149.1	173.5	-163.6	172	-164.2	0	0	109.8	V398 T402 Y403 Y405	E396-V398 HydrophobicContact CG-CG2 4.2Å; E396-T402 CarbonylContact O-C 3.59Å; E396-T402 WeakPolarHBondContact O-CA 3.32Å; E396-Y403 PolarHBondContact N-O 2.93Å; E396-Y403 VanDerWaalsContact N-O 3.13Å; E396-Y403 PolarHBondContact O-N 3.42Å; E396-Y405 HydrophobicContact CB-CE2 4.18Å
397	T	45.2	Very low	42.5	Very low	76 Å²	76	108.4 Å²	108.4	47%	0.466	63%	0.632	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.7	110.5	-178.5	-61	0	0	0	0	110.2	T401 T402	T397-T401 WeakPolarHBondContact CA-O 3.45Å; T397-T402 PolarHBondContact OG1-OG1 2.89Å
398	V	45.9	Very low	42.8	Very low	89 Å²	89	107.6 Å²	107.6	54%	0.539	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.7	132.2	-175.6	-175.1	0	0	0	0	108	E396 G400 T401	E396-V398 HydrophobicContact CG-CG2 4.2Å; V398-G400 PolarHBondContact O-N 3.46Å; V398-G400 VanDerWaalsContact O-N 3.14Å; V398-T401 PolarHBondContact N-O 3.4Å; V398-T401 PolarHBondContact O-N 3.41Å
399	G	45	Very low	42.9	Very low	84 Å²	84	107.4 Å²	107.4	87%	0.866	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.2	26.1	-180	0	0	0	0	0	114.8	T401	G399-T401 VanDerWaalsContact C-N 3.28Å; G399-T401 PolarHBondContact O-N 3.49Å
400	G	53.5	Low	43	Very low	74 Å²	74	107 Å²	107	76%	0.763	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	80.5	-2.3	-177	0	0	0	0	0	115.3	V398	V398-G400 PolarHBondContact O-N 3.46Å; V398-G400 VanDerWaalsContact O-N 3.14Å
401	T	40.7	Very low	43	Very low	74 Å²	74	108.2 Å²	108.2	45%	0.454	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.9	128.3	173.1	-60.1	0	0	0	0	109.9	T397 V398 G399 Y403	T397-T401 WeakPolarHBondContact CA-O 3.45Å; V398-T401 PolarHBondContact N-O 3.4Å; V398-T401 PolarHBondContact O-N 3.41Å; G399-T401 VanDerWaalsContact C-N 3.28Å; G399-T401 PolarHBondContact O-N 3.49Å; T401-Y403 HydrophobicContact CG2-CD2 4.42Å; T401-Y403 HydrophobicContact CG2-CE1 4.4Å; T401-Y403 HydrophobicContact CG2-CE2 3.77Å
402	T	63.2	Low	42.8	Very low	48 Å²	48	105.4 Å²	105.4	29%	0.294	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.5	131.2	172.8	-67.9	0	0	0	0	110.4	K395 E396 T397 F404	K395-T402 HydrophobicContact CD-CG2 4.07Å; K395-T402 HydrophobicContact CG-CG2 3.45Å; K395-T402 VanDerWaalsContact CG-CG2 3.45Å; E396-T402 CarbonylContact O-C 3.59Å; E396-T402 WeakPolarHBondContact O-CA 3.32Å; T397-T402 PolarHBondContact OG1-OG1 2.89Å; T402-F404 HydrophobicContact CG2-CD1 4.48Å; T402-F404 HydrophobicContact CG2-CD2 4.16Å; T402-F404 HydrophobicContact CG2-CE1 4.1Å; T402-F404 HydrophobicContact CG2-CE2 3.74Å; T402-F404 HydrophobicContact CG2-CZ 3.72Å
403	Y	46.8	Very low	43	Very low	122 Å²	122	105.9 Å²	105.9	48%	0.478	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.7	140.9	167.9	-63.3	-87.8	0	0	0	109.7	E396 T401	E396-Y403 PolarHBondContact N-O 2.93Å; E396-Y403 VanDerWaalsContact N-O 3.13Å; E396-Y403 PolarHBondContact O-N 3.42Å; T401-Y403 HydrophobicContact CG2-CD2 4.42Å; T401-Y403 HydrophobicContact CG2-CE1 4.4Å; T401-Y403 HydrophobicContact CG2-CE2 3.77Å
404	F	50	Low	42.6	Very low	139 Å²	139	108.2 Å²	108.2	61%	0.61	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.2	118.8	176.2	-63.6	-82.8	0	0	0	108.5	I393 K395 T402	I393-F404 HydrophobicContact CG2-CB 4.15Å; I393-F404 HydrophobicContact CG2-CD1 3.85Å; I393-F404 HydrophobicContact CG2-CG 4.49Å; K395-F404 HydrophobicContact CB-CD1 4.4Å; K395-F404 HydrophobicContact CB-CE1 4.44Å; K395-F404 HydrophobicContact CD-CE1 4.27Å; K395-F404 HydrophobicContact CG-CD1 4.23Å; K395-F404 HydrophobicContact CG-CE1 3.93Å; T402-F404 HydrophobicContact CG2-CD1 4.48Å; T402-F404 HydrophobicContact CG2-CD2 4.16Å; T402-F404 HydrophobicContact CG2-CE1 4.1Å; T402-F404 HydrophobicContact CG2-CE2 3.74Å; T402-F404 HydrophobicContact CG2-CZ 3.72Å
405	Y	42	Very low	42.4	Very low	120 Å²	120	103.5 Å²	103.5	47%	0.471	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.6	117.7	177.4	-60.5	-74	0	0	0	109.9	Q394 E396	Q394-Y405 PolarHBondContact O-N 3.3Å; E396-Y405 HydrophobicContact CB-CE2 4.18Å
406	T	39.1	Very low	41.9	Very low	97 Å²	97	101.9 Å²	101.9	60%	0.595	62%	0.615	S	S	*	*			trans	-95.7	114	167.6	52.3	0	0	0	0	108.5	T408	T406-T408 VanDerWaalsContact C-N 3.3Å; T406-T408 PolarHBondContact O-N 3.29Å
407	D	38.6	Very low	42.1	Very low	135 Å²	135	102.2 Å²	102.2	72%	0.722	62%	0.624	S	S	*	*			trans	-77.7	83.4	-178.6	-164.2	5.1	0	0	0	111.2	T409	D407-T409 PolarHBondContact OD1-OG1 3.43Å
408	T	35.5	Very low	42.1	Very low	108 Å²	108	105.6 Å²	105.6	66%	0.663	63%	0.632	S	S	*	*			trans	-122.1	42.7	173	61.1	0	0	0	0	110.3	T406	T406-T408 VanDerWaalsContact C-N 3.3Å; T406-T408 PolarHBondContact O-N 3.29Å
409	T	30.4	Very low	42.1	Very low	110 Å²	110	104.3 Å²	104.3	68%	0.675	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-82.5	126.4	162.7	58.1	0	0	0	0	109	D407 A411	D407-T409 PolarHBondContact OD1-OG1 3.43Å; T409-A411 PolarHBondContact O-N 2.62Å; T409-A411 VanDerWaalsContact O-N 3.16Å
410	P	32	Very low	41.9	Very low	123 Å²	123	108.5 Å²	108.5	80%	0.799	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-64.9	116.4	167.1	-17.6	31.3	0	0	0	108
411	A	30.3	Very low	41.4	Very low	85 Å²	85	112 Å²	112	70%	0.702	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-56.3	132.3	173.1	0	0	0	0	0	109.2	T409	T409-A411 PolarHBondContact O-N 2.62Å; T409-A411 VanDerWaalsContact O-N 3.16Å
412	P	32.6	Very low	41.4	Very low	115 Å²	115	116.7 Å²	116.7	75%	0.747	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-60.7	144.8	176.3	26.6	-34.2	0	0	0	109.7	T414	P412-T414 PolarHBondContact O-N 3.02Å
413	L	41.1	Very low	40.7	Very low	135 Å²	135	117.2 Å²	117.2	71%	0.707	64%	0.637	S	S	*	*			trans	-58.7	112.8	176.5	-72.5	170.5	0	0	0	109.6	G415 M416	L413-G415 PolarHBondContact O-N 3.08Å; L413-M416 HydrophobicContact CB-CG 4.04Å; L413-M416 HydrophobicContact CB-SD 4.04Å; L413-M416 HydrophobicContact CD1-SD 4.12Å; L413-M416 PolarHBondContact O-N 3.37Å; L413-M416 VanDerWaalsContact O-N 3.15Å
414	T	35	Very low	40.6	Very low	152 Å²	152	120.1 Å²	120.1	93%	0.933	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	124.5	-178.8	-31.9	0	0	0	0	109.8	P412	P412-T414 PolarHBondContact O-N 3.02Å
415	G	45.7	Very low	40.1	Very low	38 Å²	38	117.7 Å²	117.7	39%	0.392	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	100.2	0.1	-176.1	0	0	0	0	0	115.8	L413 V417	L413-G415 PolarHBondContact O-N 3.08Å; G415-V417 PolarHBondContact O-N 3.13Å; G415-V417 VanDerWaalsContact O-N 3.11Å
416	M	40.2	Very low	40.5	Very low	107 Å²	107	116.8 Å²	116.8	53%	0.527	66%	0.655	S	S	.	*			trans	-78.5	89.4	170.8	-74.5	-164.1	70.3	0	0	112.5	L413 F418	L413-M416 HydrophobicContact CB-CG 4.04Å; L413-M416 HydrophobicContact CB-SD 4.04Å; L413-M416 HydrophobicContact CD1-SD 4.12Å; L413-M416 PolarHBondContact O-N 3.37Å; L413-M416 VanDerWaalsContact O-N 3.15Å; M416-F418 HydrophobicContact CB-CE2 4.39Å; M416-F418 HydrophobicContact CE-CE1 4.32Å; M416-F418 HydrophobicContact CE-CZ 3.97Å; M416-F418 PolarHBondContact O-N 2.9Å
417	V	50.5	Low	41.3	Very low	115 Å²	115	114.6 Å²	114.6	70%	0.697	64%	0.641	S	S	*	*			trans	-80	114.1	167.9	-178.3	0	0	0	0	109.8	G415	G415-V417 PolarHBondContact O-N 3.13Å; G415-V417 VanDerWaalsContact O-N 3.11Å
418	F	45.5	Very low	41.7	Very low	148 Å²	148	110 Å²	110	65%	0.649	62%	0.622	S	S	*	*			trans	-79.2	150.7	170.2	-68	-87.3	0	0	0	110.9	M416	M416-F418 HydrophobicContact CB-CE2 4.39Å; M416-F418 HydrophobicContact CE-CE1 4.32Å; M416-F418 HydrophobicContact CE-CZ 3.97Å; M416-F418 PolarHBondContact O-N 2.9Å
419	P	46.8	Very low	42.4	Very low	62 Å²	62	109.4 Å²	109.4	40%	0.403	62%	0.62	S	S	.	*			trans	-59.7	141	178.3	-22.8	33.4	0	0	0	112.6	Y421	P419-Y421 HydrophobicContact CB-CD1 3.98Å; P419-Y421 HydrophobicContact CB-CD2 4.29Å; P419-Y421 HydrophobicContact CB-CE1 3.76Å; P419-Y421 HydrophobicContact CB-CE2 4.08Å; P419-Y421 HydrophobicContact CB-CG 4.24Å; P419-Y421 PolarHBondContact O-N 2.82Å
420	N	40.9	Very low	43.5	Very low	171 Å²	171	110.6 Å²	110.6	91%	0.914	62%	0.618	S	S	*	*	S	Bend	trans	-71	17.7	174.2	-73	-50.8	0	0	0	113.8
421	Y	42.2	Very low	44.7	Very low	147 Å²	147	107.9 Å²	107.9	58%	0.576	60%	0.599	S	S	*	*	S	Bend	trans	-140.3	145.6	179.9	56.8	-96.1	0	0	0	110.5	P419 I423	P419-Y421 HydrophobicContact CB-CD1 3.98Å; P419-Y421 HydrophobicContact CB-CD2 4.29Å; P419-Y421 HydrophobicContact CB-CE1 3.76Å; P419-Y421 HydrophobicContact CB-CE2 4.08Å; P419-Y421 HydrophobicContact CB-CG 4.24Å; P419-Y421 PolarHBondContact O-N 2.82Å; Y421-I423 HydrophobicContact CD2-CG1 4.42Å; Y421-I423 HydrophobicContact CE2-CD1 4.27Å; Y421-I423 HydrophobicContact CE2-CG1 4.22Å; Y421-I423 PolarHBondContact O-N 2.8Å
422	H	41.2	Very low	45.8	Very low	174 Å²	174	107 Å²	107	81%	0.806	59%	0.591	S	S	*	*			trans	-81.6	117.8	-177	-70.8	67.3	0	0	0	110.8
423	I	49.3	Very low	46.9	Very low	59 Å²	59	110.8 Å²	110.8	30%	0.303	59%	0.592	S	S	.	*	S	Bend	trans	-91.1	115.7	152	-64.9	175.6	0	0	0	106	Y421 I454 L458	Y421-I423 HydrophobicContact CD2-CG1 4.42Å; Y421-I423 HydrophobicContact CE2-CD1 4.27Å; Y421-I423 HydrophobicContact CE2-CG1 4.22Å; Y421-I423 PolarHBondContact O-N 2.8Å; I423-I454 HydrophobicContact CG2-CG2 4.02Å; I423-L458 HydrophobicContact CD1-CD2 4.1Å
424	Y	44.3	Very low	47.3	Very low	183 Å²	183	110.6 Å²	110.6	72%	0.718	59%	0.589	S	S	*	*			trans	9.1	107.9	-179.5	-69.5	-85.8	0	0	0	117.1
425	P	39.4	Very low	47.8	Very low	88 Å²	88	111.6 Å²	111.6	57%	0.571	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-58.1	148.1	176.6	26.3	-34.5	0	0	0	111.4
426	P	50.3	Low	48.1	Very low	100 Å²	100	114.6 Å²	114.6	65%	0.649	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-64.3	152.5	177.3	28.3	-35.1	0	0	0	111.1	A428	P426-A428 PolarHBondContact O-N 2.8Å; P426-A428 VanDerWaalsContact O-N 3.12Å
427	T	54.9	Low	48.5	Very low	51 Å²	51	118.6 Å²	118.6	31%	0.313	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-54.5	116.5	177.6	-55.3	0	0	0	0	109.7	V431 D447	T427-V431 HydrophobicContact CG2-CB 3.94Å; T427-V431 HydrophobicContact CG2-CG1 3.79Å; T427-D447 PolarHBondContact OG1-OD2 2.91Å
428	A	48.3	Very low	48.2	Very low	38 Å²	38	117.9 Å²	117.9	31%	0.314	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-59.7	146.4	-169.8	0	0	0	0	0	111.4	P426 H430 V431 A432	P426-A428 PolarHBondContact O-N 2.8Å; P426-A428 VanDerWaalsContact O-N 3.12Å; A428-H430 VanDerWaalsContact C-N 3.27Å; A428-H430 PolarHBondContact O-N 3.32Å; A428-H430 VanDerWaalsContact O-N 3.09Å; A428-V431 HydrophobicContact CB-CG2 4.31Å; A428-V431 WeakPolarHBondContact O-CA 3.5Å; A428-V431 WeakPolarHBondContact O-CB 3.47Å; A428-V431 PolarHBondContact O-N 2.86Å; A428-A432 PolarHBondContact O-N 3.46Å
429	P	49.2	Very low	48.4	Very low	96 Å²	96	118.3 Å²	118.3	62%	0.623	63%	0.626	S	S	*	*	H	α-helix	trans	-54.9	-38.3	-170.4	-29.6	35.6	0	0	0	114.6	V431 A432 Y433	P429-V431 VanDerWaalsContact C-N 3.29Å; P429-V431 PolarHBondContact O-N 3.07Å; P429-A432 PolarHBondContact O-N 3.05Å; P429-Y433 WeakPolarHBondContact O-CD2 3.38Å; P429-Y433 PolarHBondContact O-N 3.27Å
430	H	53.2	Low	48.7	Very low	136 Å²	136	118.6 Å²	118.6	63%	0.63	63%	0.633	S	S	*	*	H	α-helix	trans	-67.2	-27.4	177	66.6	-92.7	0	0	0	113.3	A428 M434	A428-H430 VanDerWaalsContact C-N 3.27Å; A428-H430 PolarHBondContact O-N 3.32Å; A428-H430 VanDerWaalsContact O-N 3.09Å; H430-M434 WeakPolarHBondContact O-CG 3.47Å; H430-M434 PolarHBondContact O-N 3.06Å
431	V	57.8	Low	49.7	Very low	66 Å²	66	114 Å²	114	40%	0.4	61%	0.613	S	S	.	*	H	α-helix	trans	-79.6	-38.2	173.5	-174.4	0	0	0	0	110.6	T427 A428 P429 Y433 M434	T427-V431 HydrophobicContact CG2-CB 3.94Å; T427-V431 HydrophobicContact CG2-CG1 3.79Å; A428-V431 HydrophobicContact CB-CG2 4.31Å; A428-V431 WeakPolarHBondContact O-CA 3.5Å; A428-V431 WeakPolarHBondContact O-CB 3.47Å; A428-V431 PolarHBondContact O-N 2.86Å; P429-V431 VanDerWaalsContact C-N 3.29Å; P429-V431 PolarHBondContact O-N 3.07Å; V431-Y433 PolarHBondContact O-N 2.85Å; V431-M434 WeakPolarHBondContact O-CB 3.44Å; V431-M434 PolarHBondContact O-N 2.65Å
432	A	54	Low	51.4	Low	66 Å²	66	110.8 Å²	110.8	55%	0.545	61%	0.612	S	S	.	*	H	α-helix	trans	-62.5	-25.8	176.1	0	0	0	0	0	113.5	A428 P429	A428-A432 PolarHBondContact O-N 3.46Å; P429-A432 PolarHBondContact O-N 3.05Å
433	Y	56	Low	53.3	Low	195 Å²	195	105 Å²	105	77%	0.765	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-6	172.2	-59.6	-57.5	0	0	0	114.4	P429 V431 Q435	P429-Y433 WeakPolarHBondContact O-CD2 3.38Å; P429-Y433 PolarHBondContact O-N 3.27Å; V431-Y433 PolarHBondContact O-N 2.85Å; Y433-Q435 PolarHBondContact O-N 3.22Å; Y433-Q435 VanDerWaalsContact O-N 3.1Å
434	M	47.8	Very low	55	Low	131 Å²	131	107.3 Å²	107.3	65%	0.645	59%	0.592	S	S	*	*	S	Bend	trans	-72.2	102.8	166.3	-83.5	-177.5	66	0	0	108.7	H430 V431 P436	H430-M434 WeakPolarHBondContact O-CG 3.47Å; H430-M434 PolarHBondContact O-N 3.06Å; V431-M434 WeakPolarHBondContact O-CB 3.44Å; V431-M434 PolarHBondContact O-N 2.65Å; M434-P436 VanDerWaalsContact O-CD 3.24Å; M434-P436 WeakPolarHBondContact O-CD 3.26Å; M434-P436 VanDerWaalsContact O-N 3.12Å
435	Q	46.5	Very low	56.9	Low	173 Å²	173	100.5 Å²	100.5	81%	0.808	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-51.4	117.7	166.6	-69.7	-66.2	-34	0	0	109.1	Y433	Y433-Q435 PolarHBondContact O-N 3.22Å; Y433-Q435 VanDerWaalsContact O-N 3.1Å
436	P	52.2	Low	59.1	Low	101 Å²	101	98.4 Å²	98.4	66%	0.656	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-57.6	144.8	171.5	-22.3	34.1	0	0	0	109	M434 A438	M434-P436 VanDerWaalsContact O-CD 3.24Å; M434-P436 WeakPolarHBondContact O-CD 3.26Å; M434-P436 VanDerWaalsContact O-N 3.12Å; P436-A438 PolarHBondContact O-N 2.76Å
437	K	47.4	Very low	60.6	Low	190 Å²	190	96.8 Å²	96.8	83%	0.826	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-56.5	121.7	165.6	-71.9	-177.6	178.6	178.3	0	106.6	N439 A440	K437-N439 PolarHBondContact O-N 3.46Å; K437-A440 WeakPolarHBondContact O-CB 3.44Å; K437-A440 PolarHBondContact O-N 3.39Å
438	A	45.1	Very low	62	Low	101 Å²	101	100.2 Å²	100.2	84%	0.835	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-8.8	-161.7	0	0	0	0	0	116.4	P436	P436-A438 PolarHBondContact O-N 2.76Å
439	N	49.2	Very low	63.8	Low	157 Å²	157	100.1 Å²	100.1	84%	0.84	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	14.9	-179.4	-56.5	-4.9	0	0	0	112.8	K437 P441	K437-N439 PolarHBondContact O-N 3.46Å; N439-P441 WeakPolarHBondContact O-CD 3.23Å
440	A	54.1	Low	65.5	Low	67 Å²	67	98.4 Å²	98.4	55%	0.554	53%	0.531	S	S	*	.			trans	-74.2	122.2	177.2	0	0	0	0	0	110.8	K437	K437-A440 WeakPolarHBondContact O-CB 3.44Å; K437-A440 PolarHBondContact O-N 3.39Å
441	P	61.8	Low	67	Low	75 Å²	75	96.2 Å²	96.2	49%	0.487	52%	0.521	S	S	.	.			trans	-67.4	131.8	-178.4	25.3	-33.7	0	0	0	112.5	N439 F443	N439-P441 WeakPolarHBondContact O-CD 3.23Å; P441-F443 HydrophobicContact CB-CE1 4.11Å; P441-F443 HydrophobicContact CB-CE2 4.18Å; P441-F443 HydrophobicContact CB-CZ 3.83Å; P441-F443 HydrophobicContact CG-CE1 4.19Å; P441-F443 HydrophobicContact CG-CE2 3.64Å; P441-F443 HydrophobicContact CG-CZ 3.42Å; P441-F443 VanDerWaalsContact CG-CZ 3.42Å; P441-F443 PolarHBondContact O-N 3.48Å
442	S	77.2	Confident	68.3	Low	80 Å²	80	95.4 Å²	95.4	56%	0.559	51%	0.513	S	S	*	.			trans	-88.9	89.3	178.2	-168.9	0	0	0	0	111.3	F444	S442-F444 PolarHBondContact O-N 3.12Å; S442-F444 PolarHBondContact OG-O 3.46Å
443	F	81.1	Confident	69.9	Low	52 Å²	52	95.9 Å²	95.9	23%	0.228	51%	0.506	C	S	.	.			trans	-71.9	-11.1	179.3	-59.2	-66.4	0	0	0	115.1	P441 N777 L832 I836	P441-F443 HydrophobicContact CB-CE1 4.11Å; P441-F443 HydrophobicContact CB-CE2 4.18Å; P441-F443 HydrophobicContact CB-CZ 3.83Å; P441-F443 HydrophobicContact CG-CE1 4.19Å; P441-F443 HydrophobicContact CG-CE2 3.64Å; P441-F443 HydrophobicContact CG-CZ 3.42Å; P441-F443 VanDerWaalsContact CG-CZ 3.42Å; P441-F443 PolarHBondContact O-N 3.48Å; F443-N777 PolarHBondContact O-ND2 3.44Å; F443-N777 PolarHBondContact O-OD1 3.29Å; F443-L832 HydrophobicContact CD2-CD2 4.29Å; F443-L832 HydrophobicContact CD2-CG 4.45Å; F443-I836 HydrophobicContact CB-CD1 3.59Å; F443-I836 HydrophobicContact CD1-CD1 3.74Å; F443-I836 HydrophobicContact CD1-CG2 4.01Å; F443-I836 HydrophobicContact CD2-CD1 3.88Å; F443-I836 HydrophobicContact CE1-CB 4.46Å; F443-I836 HydrophobicContact CE1-CD1 4.37Å; F443-I836 HydrophobicContact CE1-CG2 4.09Å; F443-I836 HydrophobicContact CE2-CD1 4.47Å; F443-I836 HydrophobicContact CG-CD1 3.46Å; F443-I836 VanDerWaalsContact CG-CD1 3.46Å
444	F	84.5	Confident	71.3	Confident	108 Å²	108	88.5 Å²	88.5	47%	0.474	48%	0.479	S	S	.	.	S	Bend	trans	-120.9	162	-177.3	-57.1	-71.1	0	0	0	111.2	S442 N777 L832	S442-F444 PolarHBondContact O-N 3.12Å; S442-F444 PolarHBondContact OG-O 3.46Å; F444-N777 WeakPolarHBondContact CD1-ND2 3.36Å; F444-L832 HydrophobicContact CE2-CD2 3.54Å; F444-L832 HydrophobicContact CZ-CD2 3.78Å
445	M	85.4	Confident	73.1	Confident	40 Å²	40	86.5 Å²	86.5	20%	0.197	47%	0.471	C	S	.	.			trans	-47.7	143.1	168.6	179.3	-179.8	-70.7	0	0	112.9	L449 R450 L453 D770 E774	M445-L449 HydrophobicContact CE-CD2 4.37Å; M445-L449 HydrophobicContact CG-CB 4.24Å; M445-L449 HydrophobicContact CG-CD2 4.04Å; M445-L449 HydrophobicContact CG-CG 4.21Å; M445-L449 HydrophobicContact SD-CB 4.38Å; M445-L449 HydrophobicContact SD-CD2 4.07Å; M445-L449 HydrophobicContact SD-CG 3.91Å; M445-R450 HydrophobicContact CG-CB 4.48Å; M445-R450 HydrophobicContact SD-CB 4.3Å; M445-L453 HydrophobicContact CE-CD1 3.97Å; M445-L453 HydrophobicContact SD-CD1 3.64Å; M445-D770 HydrophobicContact CG-CB 4.26Å; M445-D770 WeakPolarHBondContact CG-OD2 3.28Å; M445-E774 HydrophobicContact CB-CG 4.37Å; M445-E774 HydrophobicContact CE-CG 3.97Å; M445-E774 PolarHBondContact N-OE1 3.1Å
446	A	85.6	Confident	75	Confident	44 Å²	44	81.2 Å²	81.2	36%	0.364	44%	0.444	S	S	.	.			trans	-60.2	137.5	179.7	0	0	0	0	0	112.8	E448 L449 R450 D770	A446-E448 VanDerWaalsContact C-N 3.27Å; A446-E448 PolarHBondContact O-N 3.4Å; A446-L449 PolarHBondContact O-N 3.02Å; A446-R450 PolarHBondContact O-N 3.22Å; A446-D770 WeakPolarHBondContact CB-OD2 3.31Å; A446-D770 PolarHBondContact N-OD2 3.04Å
447	D	82.2	Confident	76.5	Confident	65 Å²	65	80.9 Å²	80.9	35%	0.348	43%	0.433	S	S	.	.	H	α-helix	trans	-61.9	-32.5	-169.4	-138.2	31.1	0	0	0	113.3	T427 R450 Q451	T427-D447 PolarHBondContact OG1-OD2 2.91Å; D447-R450 IonicContact OD1-CZ 3.99Å; D447-R450 IonicContact OD1-NE 3.16Å; D447-R450 PolarHBondContact OD1-NE 3.15Å; D447-R450 IonicContact OD1-NH2 2.83Å; D447-R450 PolarHBondContact OD1-NH2 3.37Å; D447-R450 IonicContact OD2-NH2 2.6Å; D447-Q451 WeakPolarHBondContact O-CB 3.39Å; D447-Q451 WeakPolarHBondContact O-CG 3.46Å; D447-Q451 PolarHBondContact O-N 3.15Å; D447-Q451 PolarHBondContact OD2-NE2 3.18Å
448	E	83.2	Confident	78.4	Confident	124 Å²	124	75.1 Å²	75.1	58%	0.579	41%	0.411	S	S	*	.	H	α-helix	trans	-66.8	-43.4	175.2	-167.3	-173.4	-162.1	0	0	112.1	A446 E452 K651	A446-E448 VanDerWaalsContact C-N 3.27Å; A446-E448 PolarHBondContact O-N 3.4Å; E448-E452 WeakPolarHBondContact O-CB 3.49Å; E448-E452 PolarHBondContact O-N 3.31Å; E448-K651 WeakPolarHBondContact OE1-CE 3.42Å; E448-K651 IonicContact OE1-NZ 3.64Å; E448-K651 PolarHBondContact OE1-NZ 3.38Å; E448-K651 IonicContact OE2-NZ 2.84Å; E448-K651 PolarHBondContact OE2-NZ 3.01Å
449	L	85.2	Confident	80.3	Confident	36 Å²	36	72.9 Å²	72.9	19%	0.188	39%	0.385	C	S	.	.	H	α-helix	trans	-69.3	-42.7	177.2	-178.9	58.3	0	0	0	110.9	M445 A446 Q451 E452 L453 D770	M445-L449 HydrophobicContact CE-CD2 4.37Å; M445-L449 HydrophobicContact CG-CB 4.24Å; M445-L449 HydrophobicContact CG-CD2 4.04Å; M445-L449 HydrophobicContact CG-CG 4.21Å; M445-L449 HydrophobicContact SD-CB 4.38Å; M445-L449 HydrophobicContact SD-CD2 4.07Å; M445-L449 HydrophobicContact SD-CG 3.91Å; A446-L449 PolarHBondContact O-N 3.02Å; L449-Q451 PolarHBondContact O-N 3.08Å; L449-E452 PolarHBondContact O-N 3.14Å; L449-L453 HydrophobicContact CD1-CD1 4.37Å; L449-L453 HydrophobicContact CD1-CG 4.35Å; L449-L453 HydrophobicContact CG-CD1 4.19Å; L449-L453 WeakPolarHBondContact O-CG 3.24Å; L449-L453 PolarHBondContact O-N 3.18Å; L449-D770 HydrophobicContact CD2-CB 4.23Å
450	R	86.2	Confident	82	Confident	60 Å²	60	67.7 Å²	67.7	23%	0.226	36%	0.359	C	S	.	.	H	α-helix	trans	-56.6	-47.5	175.2	-173.8	-175.5	68.9	84.9	-6.9	111.6	M445 A446 D447 L453 I454	M445-R450 HydrophobicContact CG-CB 4.48Å; M445-R450 HydrophobicContact SD-CB 4.3Å; A446-R450 PolarHBondContact O-N 3.22Å; D447-R450 IonicContact OD1-CZ 3.99Å; D447-R450 IonicContact OD1-NE 3.16Å; D447-R450 PolarHBondContact OD1-NE 3.15Å; D447-R450 IonicContact OD1-NH2 2.83Å; D447-R450 PolarHBondContact OD1-NH2 3.37Å; D447-R450 IonicContact OD2-NH2 2.6Å; R450-L453 PolarHBondContact O-N 2.79Å; R450-I454 HydrophobicContact CG-CD1 4.05Å; R450-I454 VanDerWaalsContact O-CG1 3.31Å; R450-I454 WeakPolarHBondContact O-CG1 3.41Å; R450-I454 PolarHBondContact O-N 2.96Å
451	Q	84.6	Confident	83.4	Confident	90 Å²	90	69.2 Å²	69.2	42%	0.421	36%	0.356	S	S	.	.	H	α-helix	trans	-66.7	-40	176.8	-70.7	173	34.1	0	0	112.1	D447 L449 L453 I454 N455	D447-Q451 WeakPolarHBondContact O-CB 3.39Å; D447-Q451 WeakPolarHBondContact O-CG 3.46Å; D447-Q451 PolarHBondContact O-N 3.15Å; D447-Q451 PolarHBondContact OD2-NE2 3.18Å; L449-Q451 PolarHBondContact O-N 3.08Å; Q451-L453 VanDerWaalsContact C-N 3.32Å; Q451-L453 PolarHBondContact O-N 2.96Å; Q451-I454 PolarHBondContact O-N 2.93Å; Q451-N455 WeakPolarHBondContact O-CB 3.37Å; Q451-N455 PolarHBondContact O-N 3.18Å
452	E	84.8	Confident	84.3	Confident	48 Å²	48	66.8 Å²	66.8	22%	0.224	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-39.7	175.7	-157.4	-166.6	-153.7	0	0	111.9	E448 L449 R456 G650	E448-E452 WeakPolarHBondContact O-CB 3.49Å; E448-E452 PolarHBondContact O-N 3.31Å; L449-E452 PolarHBondContact O-N 3.14Å; E452-R456 VanDerWaalsContact O-CG 3.31Å; E452-R456 WeakPolarHBondContact O-CG 3.45Å; E452-R456 PolarHBondContact O-N 3.27Å; E452-R456 IonicContact OE1-CZ 3.7Å; E452-R456 IonicContact OE1-NH1 3.74Å; E452-R456 IonicContact OE1-NH2 2.7Å; E452-R456 PolarHBondContact OE1-NH2 2.99Å; E452-R456 IonicContact OE2-CZ 3.89Å; E452-R456 VanDerWaalsContact OE2-CZ 3.32Å; E452-R456 IonicContact OE2-NH1 2.98Å; E452-R456 PolarHBondContact OE2-NH1 3.2Å; E452-R456 IonicContact OE2-NH2 3.26Å; E452-R456 PolarHBondContact OE2-NH2 2.84Å; E452-R456 VanDerWaalsContact OE2-NH2 3.16Å; E452-G650 WeakPolarHBondContact OE1-CA 3.31Å
453	L	86.8	Confident	84.4	Confident	77 Å²	77	69.8 Å²	69.8	40%	0.403	35%	0.347	S	S	.	.	H	α-helix	trans	-70.8	-44.9	176.5	-70.4	172.1	0	0	0	112.7	M445 L449 R450 Q451 N455 R456 H457	M445-L453 HydrophobicContact CE-CD1 3.97Å; M445-L453 HydrophobicContact SD-CD1 3.64Å; L449-L453 HydrophobicContact CD1-CD1 4.37Å; L449-L453 HydrophobicContact CD1-CG 4.35Å; L449-L453 HydrophobicContact CG-CD1 4.19Å; L449-L453 WeakPolarHBondContact O-CG 3.24Å; L449-L453 PolarHBondContact O-N 3.18Å; R450-L453 PolarHBondContact O-N 2.79Å; Q451-L453 VanDerWaalsContact C-N 3.32Å; Q451-L453 PolarHBondContact O-N 2.96Å; L453-N455 VanDerWaalsContact C-N 3.34Å; L453-N455 PolarHBondContact O-N 3.46Å; L453-R456 PolarHBondContact O-N 2.68Å; L453-H457 WeakPolarHBondContact O-CB 3.36Å; L453-H457 PolarHBondContact O-N 3.16Å
454	I	87.1	Confident	84.3	Confident	39 Å²	39	69.3 Å²	69.3	20%	0.2	35%	0.346	C	S	.	.	H	α-helix	trans	-60.1	-45.1	176.7	-70.6	166.4	0	0	0	110.5	I423 R450 Q451 R456 H457 L458	I423-I454 HydrophobicContact CG2-CG2 4.02Å; R450-I454 HydrophobicContact CG-CD1 4.05Å; R450-I454 VanDerWaalsContact O-CG1 3.31Å; R450-I454 WeakPolarHBondContact O-CG1 3.41Å; R450-I454 PolarHBondContact O-N 2.96Å; Q451-I454 PolarHBondContact O-N 2.93Å; I454-R456 PolarHBondContact O-N 2.88Å; I454-H457 WeakPolarHBondContact O-CB 3.2Å; I454-H457 PolarHBondContact O-N 3.03Å; I454-H457 VanDerWaalsContact O-N 3.17Å; I454-L458 HydrophobicContact CG2-CD1 3.96Å; I454-L458 HydrophobicContact CG2-CG 4.39Å; I454-L458 WeakPolarHBondContact O-CG 3.33Å; I454-L458 PolarHBondContact O-N 2.84Å
455	N	85.4	Confident	83.8	Confident	90 Å²	90	68.6 Å²	68.6	48%	0.481	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-44.8	177.6	-172.2	20.7	0	0	0	111.8	Q451 L453 H457 L458 I459	Q451-N455 WeakPolarHBondContact O-CB 3.37Å; Q451-N455 PolarHBondContact O-N 3.18Å; L453-N455 VanDerWaalsContact C-N 3.34Å; L453-N455 PolarHBondContact O-N 3.46Å; N455-H457 VanDerWaalsContact C-N 3.31Å; N455-H457 PolarHBondContact O-N 3.49Å; N455-L458 PolarHBondContact O-N 2.85Å; N455-I459 WeakPolarHBondContact O-CB 3.44Å; N455-I459 VanDerWaalsContact O-CG1 3.3Å; N455-I459 WeakPolarHBondContact O-CG1 3.19Å; N455-I459 PolarHBondContact O-N 3.39Å; N455-I459 WeakPolarHBondContact OD1-CD1 3.47Å
456	R	84.9	Confident	83	Confident	62 Å²	62	72.9 Å²	72.9	23%	0.234	37%	0.367	C	S	.	.	H	α-helix	trans	-58.9	-41	173.7	-76.3	176.9	179.9	124.8	12.6	112.8	E452 L453 I454 T460 A573	E452-R456 VanDerWaalsContact O-CG 3.31Å; E452-R456 WeakPolarHBondContact O-CG 3.45Å; E452-R456 PolarHBondContact O-N 3.27Å; E452-R456 IonicContact OE1-CZ 3.7Å; E452-R456 IonicContact OE1-NH1 3.74Å; E452-R456 IonicContact OE1-NH2 2.7Å; E452-R456 PolarHBondContact OE1-NH2 2.99Å; E452-R456 IonicContact OE2-CZ 3.89Å; E452-R456 VanDerWaalsContact OE2-CZ 3.32Å; E452-R456 IonicContact OE2-NH1 2.98Å; E452-R456 PolarHBondContact OE2-NH1 3.2Å; E452-R456 IonicContact OE2-NH2 3.26Å; E452-R456 PolarHBondContact OE2-NH2 2.84Å; E452-R456 VanDerWaalsContact OE2-NH2 3.16Å; L453-R456 PolarHBondContact O-N 2.68Å; I454-R456 PolarHBondContact O-N 2.88Å; R456-T460 WeakPolarHBondContact O-CB 3.35Å; R456-T460 PolarHBondContact O-N 3.39Å; R456-T460 PolarHBondContact O-OG1 2.75Å; R456-A573 HydrophobicContact CB-CB 3.96Å; R456-A573 HydrophobicContact CG-CB 4.06Å; R456-A573 WeakPolarHBondContact O-CB 3.41Å
457	H	84.8	Confident	82.1	Confident	94 Å²	94	74.5 Å²	74.5	44%	0.435	38%	0.381	S	S	.	.	H	α-helix	trans	-64.9	-48.2	179.5	-169.1	73.8	0	0	0	111.2	L453 I454 N455 I459 T460 M461	L453-H457 WeakPolarHBondContact O-CB 3.36Å; L453-H457 PolarHBondContact O-N 3.16Å; I454-H457 WeakPolarHBondContact O-CB 3.2Å; I454-H457 PolarHBondContact O-N 3.03Å; I454-H457 VanDerWaalsContact O-N 3.17Å; N455-H457 VanDerWaalsContact C-N 3.31Å; N455-H457 PolarHBondContact O-N 3.49Å; H457-I459 PolarHBondContact O-N 3.35Å; H457-T460 WeakPolarHBondContact O-CB 3.25Å; H457-T460 PolarHBondContact O-N 2.83Å; H457-T460 VanDerWaalsContact O-N 3.11Å; H457-M461 VanDerWaalsContact NE2-CE 3.3Å; H457-M461 WeakPolarHBondContact NE2-CE 3.29Å; H457-M461 PolarHBondContact NE2-SD 3.42Å; H457-M461 PolarHBondContact O-N 3.36Å
458	L	86.7	Confident	81.5	Confident	69 Å²	69	75.8 Å²	75.8	36%	0.361	39%	0.388	S	S	.	.	H	α-helix	trans	-58.1	-46.8	175.3	-68.9	170.5	0	0	0	112.2	I423 I454 N455 T460 M461 A462	I423-L458 HydrophobicContact CD1-CD2 4.1Å; I454-L458 HydrophobicContact CG2-CD1 3.96Å; I454-L458 HydrophobicContact CG2-CG 4.39Å; I454-L458 WeakPolarHBondContact O-CG 3.33Å; I454-L458 PolarHBondContact O-N 2.84Å; N455-L458 PolarHBondContact O-N 2.85Å; L458-T460 VanDerWaalsContact C-N 3.27Å; L458-T460 PolarHBondContact O-N 3.36Å; L458-M461 CarbonylContact O-C 3.56Å; L458-M461 PolarHBondContact O-N 2.76Å; L458-A462 PolarHBondContact O-N 3.4Å
459	I	84.7	Confident	80.9	Confident	54 Å²	54	73.1 Å²	73.1	28%	0.277	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-34.9	176.2	-69.7	166.9	0	0	0	111.8	N455 H457 A462 K508 F571 A573	N455-I459 WeakPolarHBondContact O-CB 3.44Å; N455-I459 VanDerWaalsContact O-CG1 3.3Å; N455-I459 WeakPolarHBondContact O-CG1 3.19Å; N455-I459 PolarHBondContact O-N 3.39Å; N455-I459 WeakPolarHBondContact OD1-CD1 3.47Å; H457-I459 PolarHBondContact O-N 3.35Å; I459-A462 WeakPolarHBondContact O-CB 3.3Å; I459-K508 WeakPolarHBondContact O-CE 3.36Å; I459-F571 HydrophobicContact CG2-CE1 4.44Å; I459-F571 HydrophobicContact CG2-CZ 3.97Å; I459-A573 HydrophobicContact CB-CB 4.2Å; I459-A573 HydrophobicContact CG2-CB 3.9Å
460	T	85.5	Confident	80.3	Confident	47 Å²	47	76.9 Å²	76.9	29%	0.288	40%	0.402	S	S	.	.	H	α-helix	trans	-72.9	-38.3	177.5	-54.2	0	0	0	0	111.7	R456 H457 L458 A462 K508 P517	R456-T460 WeakPolarHBondContact O-CB 3.35Å; R456-T460 PolarHBondContact O-N 3.39Å; R456-T460 PolarHBondContact O-OG1 2.75Å; H457-T460 WeakPolarHBondContact O-CB 3.25Å; H457-T460 PolarHBondContact O-N 2.83Å; H457-T460 VanDerWaalsContact O-N 3.11Å; L458-T460 VanDerWaalsContact C-N 3.27Å; L458-T460 PolarHBondContact O-N 3.36Å; T460-A462 VanDerWaalsContact C-N 3.32Å; T460-A462 PolarHBondContact O-N 3.26Å; T460-K508 WeakPolarHBondContact O-CD 3.19Å; T460-K508 WeakPolarHBondContact O-CE 3.32Å; T460-K508 PolarHBondContact O-NZ 3.24Å; T460-P517 HydrophobicContact CG2-CB 4.1Å; T460-P517 HydrophobicContact CG2-CG 3.88Å
461	M	83.6	Confident	79.8	Confident	100 Å²	100	77.8 Å²	77.8	49%	0.493	42%	0.423	S	S	.	.	H	α-helix	trans	-77.7	-9.5	176.5	-74	-169.9	161.5	0	0	114.6	H457 L458 Q463	H457-M461 VanDerWaalsContact NE2-CE 3.3Å; H457-M461 WeakPolarHBondContact NE2-CE 3.29Å; H457-M461 PolarHBondContact NE2-SD 3.42Å; H457-M461 PolarHBondContact O-N 3.36Å; L458-M461 CarbonylContact O-C 3.56Å; L458-M461 PolarHBondContact O-N 2.76Å; M461-Q463 PolarHBondContact O-N 3.31Å
462	A	81.4	Confident	79.7	Confident	24 Å²	24	74.3 Å²	74.3	20%	0.198	41%	0.407	C	S	.	.			trans	-54	131.5	-179.8	0	0	0	0	0	112.7	L458 I459 T460 F483 K508	L458-A462 PolarHBondContact O-N 3.4Å; I459-A462 WeakPolarHBondContact O-CB 3.3Å; T460-A462 VanDerWaalsContact C-N 3.32Å; T460-A462 PolarHBondContact O-N 3.26Å; A462-F483 HydrophobicContact CB-CD1 4.25Å; A462-F483 HydrophobicContact CB-CD2 4.12Å; A462-F483 HydrophobicContact CB-CE1 4.11Å; A462-F483 HydrophobicContact CB-CE2 3.97Å; A462-F483 HydrophobicContact CB-CG 4.26Å; A462-F483 HydrophobicContact CB-CZ 3.97Å; A462-K508 WeakPolarHBondContact O-CE 3.36Å; A462-K508 PolarHBondContact O-NZ 3.25Å
463	Q	79.6	Confident	79.8	Confident	143 Å²	143	73.1 Å²	73.1	67%	0.668	40%	0.404	S	S	*	.			trans	-133.5	156.1	177.5	-69.4	178.1	2.6	0	0	108.5	M461	M461-Q463 PolarHBondContact O-N 3.31Å
464	I	77.4	Confident	79.8	Confident	42 Å²	42	73.1 Å²	73.1	22%	0.215	41%	0.408	C	S	.	.			trans	-95.4	146.7	170	-21.9	170.4	0	0	0	108.8	M469 V472 L482 F483 P484	I464-M469 HydrophobicContact CD1-CB 4.31Å; I464-M469 HydrophobicContact CG2-CB 4.07Å; I464-M469 HydrophobicContact CG2-CG 3.95Å; I464-V472 HydrophobicContact CD1-CB 4.26Å; I464-V472 HydrophobicContact CD1-CG1 4.25Å; I464-V472 HydrophobicContact CD1-CG2 4.19Å; I464-L482 VanDerWaalsContact CD1-O 3.3Å; I464-L482 WeakPolarHBondContact CD1-O 3.3Å; I464-L482 WeakPolarHBondContact CG1-O 3.39Å; I464-F483 HydrophobicContact CG1-CB 4.44Å; I464-F483 HydrophobicContact CG1-CD2 3.87Å; I464-P484 HydrophobicContact CD1-CG 4.38Å
465	D	73.8	Confident	79.9	Confident	93 Å²	93	77.3 Å²	77.3	50%	0.497	43%	0.426	S	S	.	.			trans	-69.6	128.6	153.3	-163.4	-35.2	0	0	0	108.7	A467 D468	D465-A467 PolarHBondContact O-N 3.39Å; D465-A467 WeakPolarHBondContact OD1-CB 3.46Å; D465-A467 PolarHBondContact OD1-N 2.94Å; D465-D468 PolarHBondContact O-N 3.39Å
466	Q	69.3	Low	80.2	Confident	129 Å²	129	73 Å²	73	60%	0.603	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.2	178.5	-69.4	177.5	4.5	0	0	112.3	D468	Q466-D468 VanDerWaalsContact C-N 3.35Å
467	A	67.2	Low	80.5	Confident	79 Å²	79	75 Å²	75	65%	0.653	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-36	173.6	0	0	0	0	0	112.8	D465	D465-A467 PolarHBondContact O-N 3.39Å; D465-A467 WeakPolarHBondContact OD1-CB 3.46Å; D465-A467 PolarHBondContact OD1-N 2.94Å
468	D	69.6	Low	80.9	Confident	92 Å²	92	71.5 Å²	71.5	49%	0.492	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-30.7	-176.7	-75.6	-13	0	0	0	112.6	D465 Q466	D465-D468 PolarHBondContact O-N 3.39Å; Q466-D468 VanDerWaalsContact C-N 3.35Å
469	M	69.3	Low	81.3	Confident	68 Å²	68	68.4 Å²	68.4	34%	0.335	39%	0.388	S	S	.	.			trans	-134.5	60	-168.9	-69.2	-60.9	-57.9	0	0	114.4	I464 A471 V472 L488	I464-M469 HydrophobicContact CD1-CB 4.31Å; I464-M469 HydrophobicContact CG2-CB 4.07Å; I464-M469 HydrophobicContact CG2-CG 3.95Å; M469-A471 PolarHBondContact O-N 3.44Å; M469-V472 HydrophobicContact CB-CG2 4.38Å; M469-V472 HydrophobicContact CE-CG2 4.44Å; M469-V472 PolarHBondContact O-N 3.18Å; M469-L488 HydrophobicContact CE-CD1 3.61Å
470	P	72.9	Confident	81.6	Confident	114 Å²	114	68.1 Å²	68.1	74%	0.74	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-7.4	-178.3	27.5	-36.8	0	0	0	115.1	V472	P470-V472 VanDerWaalsContact C-N 3.31Å
471	A	76.1	Confident	81.8	Confident	80 Å²	80	67.9 Å²	67.9	66%	0.661	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-6	173.4	0	0	0	0	0	114	M469	M469-A471 PolarHBondContact O-N 3.44Å
472	V	83.6	Confident	82.1	Confident	16 Å²	16	63.6 Å²	63.6	10%	0.097	37%	0.365	C	S	.	.	S	Bend	trans	-101	119.3	174.1	-175.2	0	0	0	0	108.5	I464 M469 P470 L482 P484 L488 Y507	I464-V472 HydrophobicContact CD1-CB 4.26Å; I464-V472 HydrophobicContact CD1-CG1 4.25Å; I464-V472 HydrophobicContact CD1-CG2 4.19Å; M469-V472 HydrophobicContact CB-CG2 4.38Å; M469-V472 HydrophobicContact CE-CG2 4.44Å; M469-V472 PolarHBondContact O-N 3.18Å; P470-V472 VanDerWaalsContact C-N 3.31Å; V472-L482 HydrophobicContact CG1-CB 3.71Å; V472-L482 HydrophobicContact CG1-CD2 4.19Å; V472-P484 HydrophobicContact CG2-CG 4.31Å; V472-L488 HydrophobicContact CG2-CD1 4.07Å; V472-Y507 HydrophobicContact CG1-CD1 4.37Å; V472-Y507 HydrophobicContact CG1-CE1 4.22Å; V472-Y507 HydrophobicContact CG2-CE1 4.27Å
473	P	86.8	Confident	82.5	Confident	24 Å²	24	65 Å²	65	16%	0.156	37%	0.367	C	S	.	.			trans	-65.8	147.5	176.8	28.6	-35.3	0	0	0	111.1	E475 V476 A559 F560	P473-E475 VanDerWaalsContact C-N 3.31Å; P473-E475 PolarHBondContact O-N 2.84Å; P473-V476 HydrophobicContact CB-CG2 4.26Å; P473-V476 HydrophobicContact CG-CG2 3.51Å; P473-A559 HydrophobicContact CB-CB 4.3Å; P473-A559 HydrophobicContact CG-CB 4.31Å; P473-F560 VanDerWaalsContact CD-CE1 3.46Å; P473-F560 HydrophobicContact CG-CD1 3.56Å; P473-F560 HydrophobicContact CG-CE1 3.62Å; P473-F560 HydrophobicContact CG-CG 4.06Å; P473-F560 HydrophobicContact CG-CZ 4.16Å
474	T	86.4	Confident	83	Confident	77 Å²	77	59.6 Å²	59.6	47%	0.472	34%	0.344	S	S	.	.	S	Bend	trans	-64.3	-37.8	-178.6	59.9	0	0	0	0	112.3
475	E	89.1	Confident	83.4	Confident	126 Å²	126	60.8 Å²	60.8	59%	0.589	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.3	-176.5	-60.7	-178.2	166.7	0	0	110.3	P473 Y479 H480	P473-E475 VanDerWaalsContact C-N 3.31Å; P473-E475 PolarHBondContact O-N 2.84Å; E475-Y479 CarbonylContact C-O 3.52Å; E475-Y479 VanDerWaalsContact CA-O 3.26Å; E475-Y479 WeakPolarHBondContact CA-O 3.33Å; E475-H480 HydrophobicContact CG-CB 4.03Å
476	V	91.2	Very high	83.8	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.006	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	102.3	-177.9	178.5	0	0	0	0	108.7	P473 S478 Y479 L482 F555 T557 A559 F560	P473-V476 HydrophobicContact CB-CG2 4.26Å; P473-V476 HydrophobicContact CG-CG2 3.51Å; V476-S478 PolarHBondContact O-N 3.25Å; V476-Y479 PolarHBondContact N-O 3.49Å; V476-Y479 WeakPolarHBondContact O-CB 3.49Å; V476-Y479 PolarHBondContact O-N 2.9Å; V476-Y479 VanDerWaalsContact O-N 3.11Å; V476-L482 HydrophobicContact CB-CD2 4.44Å; V476-L482 HydrophobicContact CG2-CD1 4.17Å; V476-L482 HydrophobicContact CG2-CD2 3.61Å; V476-F555 HydrophobicContact CG1-CE2 3.82Å; V476-F555 HydrophobicContact CG1-CZ 4.01Å; V476-T557 HydrophobicContact CG1-CG2 3.97Å; V476-A559 HydrophobicContact CG2-CB 4.09Å; V476-F560 HydrophobicContact CG1-CE2 3.89Å; V476-F560 HydrophobicContact CG1-CZ 4.44Å; V476-F560 HydrophobicContact CG2-CE1 4.46Å; V476-F560 HydrophobicContact CG2-CE2 3.87Å; V476-F560 HydrophobicContact CG2-CZ 3.8Å
477	D	91.3	Very high	83.8	Confident	102 Å²	102	59.7 Å²	59.7	55%	0.545	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	-121.4	-167.8	-163.3	-60.3	0	0	0	109.5	Y479 F555	D477-Y479 VanDerWaalsContact C-N 3.29Å; D477-Y479 PolarHBondContact O-N 3.42Å; D477-F555 HydrophobicContact CB-CD2 3.99Å; D477-F555 HydrophobicContact CB-CE2 3.63Å; D477-F555 HydrophobicContact CB-CZ 4.06Å
478	S	93.4	Very high	83.7	Confident	22 Å²	22	58.4 Å²	58.4	15%	0.154	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	14.6	-177.7	-52.2	0	0	0	0	113.2	V476 N511 S512 K513	V476-S478 PolarHBondContact O-N 3.25Å; S478-N511 WeakPolarHBondContact O-CA 3.36Å; S478-N511 PolarHBondContact O-OD1 2.85Å; S478-S512 PolarHBondContact O-N 3.42Å; S478-S512 PolarHBondContact O-OG 3.33Å; S478-K513 WeakPolarHBondContact OG-CE 3.15Å; S478-K513 PolarHBondContact OG-NZ 2.67Å
479	Y	94.7	Very high	83.3	Confident	4 Å²	4	56 Å²	56	2%	0.016	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.1	-173.9	-64.6	-86.9	0	0	0	112.4	E475 V476 D477 A509 V510 N511 Y518 L520 F555 A568	E475-Y479 CarbonylContact C-O 3.52Å; E475-Y479 VanDerWaalsContact CA-O 3.26Å; E475-Y479 WeakPolarHBondContact CA-O 3.33Å; V476-Y479 PolarHBondContact N-O 3.49Å; V476-Y479 WeakPolarHBondContact O-CB 3.49Å; V476-Y479 PolarHBondContact O-N 2.9Å; V476-Y479 VanDerWaalsContact O-N 3.11Å; D477-Y479 VanDerWaalsContact C-N 3.29Å; D477-Y479 PolarHBondContact O-N 3.42Å; Y479-A509 HydrophobicContact CD1-CB 4.27Å; Y479-V510 CarbonylContact C-O 3.49Å; Y479-V510 VanDerWaalsContact CA-O 3.25Å; Y479-V510 WeakPolarHBondContact CA-O 3.34Å; Y479-N511 HydrophobicContact CD1-CB 3.92Å; Y479-N511 HydrophobicContact CE1-CB 3.7Å; Y479-Y518 HydrophobicContact CD1-CD2 4.49Å; Y479-Y518 AromaticContact CE1-CD2 3.7Å; Y479-Y518 HydrophobicContact CE1-CD2 3.7Å; Y479-Y518 AromaticContact CE1-CG 3.93Å; Y479-Y518 HydrophobicContact CE1-CG 3.93Å; Y479-L520 HydrophobicContact CD1-CD1 4.44Å; Y479-L520 HydrophobicContact CD1-CD2 4.04Å; Y479-L520 HydrophobicContact CD2-CD1 4.4Å; Y479-L520 HydrophobicContact CD2-CD2 4.12Å; Y479-L520 HydrophobicContact CE1-CD2 4.04Å; Y479-L520 HydrophobicContact CE2-CD2 4.13Å; Y479-L520 HydrophobicContact CG-CD1 4Å; Y479-L520 HydrophobicContact CG-CD2 4.08Å; Y479-F555 HydrophobicContact CD2-CE1 4.08Å; Y479-F555 HydrophobicContact CD2-CZ 4.05Å; Y479-F555 AromaticContact CE2-CE1 3.8Å; Y479-F555 HydrophobicContact CE2-CE1 3.8Å; Y479-F555 HydrophobicContact CE2-CZ 4.25Å; Y479-A568 HydrophobicContact CE2-CB 4.34Å; Y479-A568 VanDerWaalsContact OH-CB 3.3Å; Y479-A568 WeakPolarHBondContact OH-CB 3.18Å
480	H	92.2	Very high	82.8	Confident	47 Å²	47	56.3 Å²	56.3	22%	0.218	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	178.3	178.8	69	90.4	0	0	0	112.4	E475 L482 A509 V510 S512	E475-H480 HydrophobicContact CG-CB 4.03Å; H480-L482 VanDerWaalsContact C-N 3.33Å; H480-L482 PolarHBondContact O-N 2.98Å; H480-A509 WeakPolarHBondContact O-CA 3.33Å; H480-V510 PolarHBondContact CD2-O 3.01Å; H480-V510 PolarHBondContact N-O 2.88Å; H480-V510 PolarHBondContact O-N 3.11Å; H480-S512 PolarHBondContact CD2-OG 3.33Å
481	S	88.8	Confident	82	Confident	43 Å²	43	56.9 Å²	56.9	30%	0.301	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54	45.7	175.5	-60.1	0	0	0	0	113.4
482	L	91	Very high	80.7	Confident	9 Å²	9	60.8 Å²	60.8	5%	0.047	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	136.3	179.1	-80.1	73.7	0	0	0	111.3	I464 V472 V476 H480 Y507 K508 A509 F560	I464-L482 VanDerWaalsContact CD1-O 3.3Å; I464-L482 WeakPolarHBondContact CD1-O 3.3Å; I464-L482 WeakPolarHBondContact CG1-O 3.39Å; V472-L482 HydrophobicContact CG1-CB 3.71Å; V472-L482 HydrophobicContact CG1-CD2 4.19Å; V476-L482 HydrophobicContact CB-CD2 4.44Å; V476-L482 HydrophobicContact CG2-CD1 4.17Å; V476-L482 HydrophobicContact CG2-CD2 3.61Å; H480-L482 VanDerWaalsContact C-N 3.33Å; H480-L482 PolarHBondContact O-N 2.98Å; L482-Y507 HydrophobicContact CB-CD1 4.49Å; L482-Y507 HydrophobicContact CD2-CD1 4.42Å; L482-Y507 HydrophobicContact CD2-CG 4.26Å; L482-K508 CarbonylContact C-O 3.57Å; L482-K508 VanDerWaalsContact CA-O 3.27Å; L482-K508 WeakPolarHBondContact CA-O 3.4Å; L482-A509 HydrophobicContact CD1-CB 4.15Å; L482-A509 HydrophobicContact CG-CB 4.14Å; L482-F560 HydrophobicContact CD2-CE1 4.07Å; L482-F560 HydrophobicContact CD2-CZ 3.83Å
483	F	89.7	Confident	79.3	Confident	55 Å²	55	67.4 Å²	67.4	24%	0.241	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	116.5	177.4	-179.8	-87.3	0	0	0	110.4	A462 I464 L485 Y507 K508	A462-F483 HydrophobicContact CB-CD1 4.25Å; A462-F483 HydrophobicContact CB-CD2 4.12Å; A462-F483 HydrophobicContact CB-CE1 4.11Å; A462-F483 HydrophobicContact CB-CE2 3.97Å; A462-F483 HydrophobicContact CB-CG 4.26Å; A462-F483 HydrophobicContact CB-CZ 3.97Å; I464-F483 HydrophobicContact CG1-CB 4.44Å; I464-F483 HydrophobicContact CG1-CD2 3.87Å; F483-L485 HydrophobicContact CD1-CD2 4.48Å; F483-L485 PolarHBondContact O-N 3.27Å; F483-Y507 CarbonylContact O-C 3.59Å; F483-Y507 VanDerWaalsContact O-CA 3.24Å; F483-Y507 WeakPolarHBondContact O-CA 3.39Å; F483-K508 HydrophobicContact CB-CB 4.41Å; F483-K508 PolarHBondContact N-O 2.8Å; F483-K508 PolarHBondContact O-N 3.11Å
484	P	89.4	Confident	77.7	Confident	28 Å²	28	72.4 Å²	72.4	18%	0.182	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	130.2	179	-26.9	34.1	0	0	0	113.9	I464 V472 L488 C506 Y507	I464-P484 HydrophobicContact CD1-CG 4.38Å; V472-P484 HydrophobicContact CG2-CG 4.31Å; P484-L488 HydrophobicContact CB-CD1 4.38Å; P484-L488 HydrophobicContact CB-CG 4.15Å; P484-L488 HydrophobicContact CG-CD1 3.81Å; P484-L488 HydrophobicContact CG-CG 4.13Å; P484-C506 WeakPolarHBondContact CA-O 3.32Å; P484-Y507 HydrophobicContact CB-CD1 4.44Å; P484-Y507 HydrophobicContact CG-CD1 4.03Å; P484-Y507 HydrophobicContact CG-CE1 4.08Å
485	L	86.6	Confident	76.4	Confident	68 Å²	68	74.9 Å²	74.9	36%	0.356	40%	0.399	S	S	.	.	S	Bend	trans	-99.5	-18.3	176.9	-64.3	171.5	0	0	0	113.1	F483 C506 K508 F571	F483-L485 HydrophobicContact CD1-CD2 4.48Å; F483-L485 PolarHBondContact O-N 3.27Å; L485-C506 HydrophobicContact CB-CB 3.98Å; L485-C506 HydrophobicContact CD1-CB 4.44Å; L485-C506 PolarHBondContact N-O 3.24Å; L485-K508 HydrophobicContact CD1-CB 4.28Å; L485-K508 HydrophobicContact CD2-CB 4.09Å; L485-K508 HydrophobicContact CG-CB 4.28Å; L485-F571 HydrophobicContact CD1-CD2 4.34Å; L485-F571 HydrophobicContact CD1-CE2 3.82Å; L485-F571 HydrophobicContact CD2-CE2 3.94Å; L485-F571 HydrophobicContact CD2-CZ 4.34Å
486	E	80.6	Confident	74.9	Confident	70 Å²	70	75.6 Å²	75.6	33%	0.327	40%	0.4	S	S	.	.	S	Bend	trans	-121.5	138.4	175.3	-66.7	169	-168.1	0	0	106.3	L488 C506 R521	E486-L488 PolarHBondContact O-N 3.28Å; E486-C506 VanDerWaalsContact CD-SG 3.53Å; E486-C506 HydrophobicContact CG-CB 4.08Å; E486-C506 PolarHBondContact OE1-SG 3.06Å; E486-R521 IonicContact OE1-CZ 3.71Å; E486-R521 IonicContact OE1-NH1 2.74Å; E486-R521 PolarHBondContact OE1-NH1 2.81Å; E486-R521 IonicContact OE1-NH2 3.98Å; E486-R521 PolarHBondContact OE1-NH2 3Å; E486-R521 IonicContact OE2-NH1 3.97Å
487	P	70.4	Confident	73.5	Confident	128 Å²	128	76.6 Å²	76.6	83%	0.831	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-53.6	124.8	175.6	-26	34.6	0	0	0	110.5
488	L	63.9	Low	72.1	Confident	52 Å²	52	76.9 Å²	76.9	27%	0.272	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-64.9	134.2	-173	-72.5	171.5	0	0	0	110.4	M469 V472 P484 E486 Y507	M469-L488 HydrophobicContact CE-CD1 3.61Å; V472-L488 HydrophobicContact CG2-CD1 4.07Å; P484-L488 HydrophobicContact CB-CD1 4.38Å; P484-L488 HydrophobicContact CB-CG 4.15Å; P484-L488 HydrophobicContact CG-CD1 3.81Å; P484-L488 HydrophobicContact CG-CG 4.13Å; E486-L488 PolarHBondContact O-N 3.28Å; L488-Y507 HydrophobicContact CD2-CE1 4.04Å
489	P	62	Low	71	Confident	43 Å²	43	78 Å²	78	28%	0.279	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-61.2	133.2	-176.6	23.7	-32.9	0	0	0	110	I503	P489-I503 HydrophobicContact CB-CG2 4.46Å; P489-I503 HydrophobicContact CG-CG2 3.74Å
490	P	58.9	Low	70.3	Confident	73 Å²	73	78.4 Å²	78.4	47%	0.474	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-57.5	138.9	179.7	-24.6	33.2	0	0	0	111	N492 R493	P490-N492 PolarHBondContact O-N 2.98Å; P490-R493 HydrophobicContact CB-CB 4.18Å; P490-R493 HydrophobicContact CG-CB 4.42Å; P490-R493 PolarHBondContact O-N 3.36Å
491	P	55.8	Low	69.8	Low	126 Å²	126	78 Å²	78	82%	0.818	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-27.3	-173.7	21.1	-33	0	0	0	113.4
492	N	50	Low	69.6	Low	163 Å²	163	80.1 Å²	80.1	87%	0.872	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	4.3	179	-62.9	-7.3	0	0	0	114.1	P490	P490-N492 PolarHBondContact O-N 2.98Å
493	R	52.8	Low	69.4	Low	154 Å²	154	81.5 Å²	81.5	58%	0.581	44%	0.441	S	S	*	.			trans	-128	89.2	-177.8	-169.7	-179.1	-74	-178	-1.9	111.3	P490 Q495	P490-R493 HydrophobicContact CB-CB 4.18Å; P490-R493 HydrophobicContact CG-CB 4.42Å; P490-R493 PolarHBondContact O-N 3.36Å; R493-Q495 HydrophobicContact CG-CG 4.12Å; R493-Q495 PolarHBondContact O-N 3.35Å
494	I	53.4	Low	69.4	Low	129 Å²	129	79.8 Å²	79.8	66%	0.662	44%	0.435	S	S	*	.			trans	-70	66	176.7	-53.1	176.5	0	0	0	110.7	K496 I503	I494-K496 HydrophobicContact CG2-CG 4.38Å; I494-K496 PolarHBondContact O-N 2.99Å; I494-K496 VanDerWaalsContact O-N 3.1Å; I494-I503 HydrophobicContact CB-CD1 4.33Å; I494-I503 HydrophobicContact CG2-CD1 3.84Å; I494-I503 HydrophobicContact CG2-CG1 4.3Å
495	Q	58.5	Low	69.4	Low	130 Å²	130	78.5 Å²	78.5	61%	0.607	43%	0.426	S	S	*	.			trans	-77.5	90.6	166.4	-85.8	177.4	-20.9	0	0	108.9	R493	R493-Q495 HydrophobicContact CG-CG 4.12Å; R493-Q495 PolarHBondContact O-N 3.35Å
496	K	58.8	Low	69.6	Low	140 Å²	140	75.3 Å²	75.3	61%	0.609	41%	0.41	S	S	*	.			trans	-55.6	138.4	165.3	-69.5	174.7	165.1	-164.4	0	109.1	I494 S498 G501	I494-K496 HydrophobicContact CG2-CG 4.38Å; I494-K496 PolarHBondContact O-N 2.99Å; I494-K496 VanDerWaalsContact O-N 3.1Å; K496-S498 PolarHBondContact O-N 2.85Å; K496-G501 VanDerWaalsContact CD-O 3.24Å; K496-G501 WeakPolarHBondContact CD-O 3.41Å
497	S	61.2	Low	70.2	Confident	22 Å²	22	72.1 Å²	72.1	15%	0.154	40%	0.395	C	S	.	.			trans	-58.6	124.8	171.1	-174.6	0	0	0	0	109.1	N499 F500 G501 Y502	S497-N499 PolarHBondContact O-N 3.14Å; S497-N499 VanDerWaalsContact O-N 3.07Å; S497-F500 PolarHBondContact O-N 3.28Å; S497-G501 PolarHBondContact O-N 2.99Å; S497-Y502 VanDerWaalsContact CB-O 3.29Å; S497-Y502 WeakPolarHBondContact CB-O 3.47Å; S497-Y502 PolarHBondContact N-O 2.9Å
498	S	62.1	Low	71.3	Confident	109 Å²	109	66.2 Å²	66.2	76%	0.762	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-33	-179.8	48.4	0	0	0	0	113.2	K496	K496-S498 PolarHBondContact O-N 2.85Å
499	N	70.3	Confident	72.7	Confident	46 Å²	46	63.8 Å²	63.8	25%	0.246	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-43.9	-173.9	-55.7	20.4	0	0	0	110.5	S497 D642 T644 F662	S497-N499 PolarHBondContact O-N 3.14Å; S497-N499 VanDerWaalsContact O-N 3.07Å; N499-D642 VanDerWaalsContact ND2-CG 3.27Å; N499-D642 PolarHBondContact ND2-OD1 2.78Å; N499-T644 PolarHBondContact ND2-OG1 3.28Å; N499-F662 WeakPolarHBondContact O-CE1 3.19Å; N499-F662 WeakPolarHBondContact O-CZ 3.47Å
500	F	80.3	Confident	74.2	Confident	11 Å²	11	63 Å²	63	5%	0.048	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-16.8	-172.8	-58	-53.4	0	0	0	115	S497 Y502 T504 V640 K645 C658 V661 F662 L665	S497-F500 PolarHBondContact O-N 3.28Å; F500-Y502 VanDerWaalsContact O-CD2 3.25Å; F500-Y502 WeakPolarHBondContact O-CD2 3.28Å; F500-Y502 PolarHBondContact O-N 3.3Å; F500-Y502 VanDerWaalsContact O-N 3.17Å; F500-T504 HydrophobicContact CD2-CG2 3.87Å; F500-V640 HydrophobicContact CE1-CG1 4.06Å; F500-V640 HydrophobicContact CZ-CG1 4.48Å; F500-K645 HydrophobicContact CE2-CD 4.12Å; F500-K645 VanDerWaalsContact CE2-CE 3.46Å; F500-K645 HydrophobicContact CZ-CD 3.92Å; F500-C658 HydrophobicContact CZ-CB 3.75Å; F500-V661 HydrophobicContact CD1-CB 4.48Å; F500-V661 HydrophobicContact CD1-CG1 3.67Å; F500-V661 HydrophobicContact CE1-CB 3.94Å; F500-V661 HydrophobicContact CE1-CG1 3.58Å; F500-V661 HydrophobicContact CG-CG1 4.29Å; F500-V661 HydrophobicContact CZ-CB 4.36Å; F500-V661 HydrophobicContact CZ-CG1 4.12Å; F500-F662 HydrophobicContact CD1-CD1 4.44Å; F500-F662 AromaticContact CD1-CE1 3.93Å; F500-F662 HydrophobicContact CD1-CE1 3.93Å; F500-F662 HydrophobicContact CD1-CE2 4.13Å; F500-F662 AromaticContact CD1-CZ 3.77Å; F500-F662 HydrophobicContact CD1-CZ 3.77Å; F500-F662 HydrophobicContact CE1-CD2 4.38Å; F500-F662 AromaticContact CE1-CE2 3.99Å; F500-F662 HydrophobicContact CE1-CE2 3.99Å; F500-F662 HydrophobicContact CE1-CZ 4.1Å; F500-L665 HydrophobicContact CB-CD1 4.26Å
501	G	80.6	Confident	75.9	Confident	38 Å²	38	60 Å²	60	39%	0.392	32%	0.318	S	S	.	.	S	Bend	trans	75.3	-7.6	-177.7	0	0	0	0	0	115.7	K496 S497	K496-G501 VanDerWaalsContact CD-O 3.24Å; K496-G501 WeakPolarHBondContact CD-O 3.41Å; S497-G501 PolarHBondContact O-N 2.99Å
502	Y	84.6	Confident	77.7	Confident	89 Å²	89	57.4 Å²	57.4	35%	0.349	30%	0.302	S	S	.	.	S	Bend	trans	-109.5	160.5	173.7	-64.1	-87.6	0	0	0	110.9	S497 F500 I523 F526 L665	S497-Y502 VanDerWaalsContact CB-O 3.29Å; S497-Y502 WeakPolarHBondContact CB-O 3.47Å; S497-Y502 PolarHBondContact N-O 2.9Å; F500-Y502 VanDerWaalsContact O-CD2 3.25Å; F500-Y502 WeakPolarHBondContact O-CD2 3.28Å; F500-Y502 PolarHBondContact O-N 3.3Å; F500-Y502 VanDerWaalsContact O-N 3.17Å; Y502-I523 HydrophobicContact CD1-CG2 4.21Å; Y502-I523 HydrophobicContact CD2-CG2 4.12Å; Y502-I523 HydrophobicContact CG-CG2 3.69Å; Y502-F526 HydrophobicContact CD1-CD2 4.4Å; Y502-F526 AromaticContact CE1-CD2 3.77Å; Y502-F526 HydrophobicContact CE1-CD2 3.77Å; Y502-F526 HydrophobicContact CE1-CE2 4.46Å; Y502-F526 HydrophobicContact CE2-CD2 4.17Å; Y502-F526 HydrophobicContact CE2-CE2 4.32Å; Y502-F526 AromaticContact CZ-CD2 3.65Å; Y502-F526 AromaticContact CZ-CE2 3.9Å; Y502-L665 HydrophobicContact CD2-CD1 3.94Å; Y502-L665 HydrophobicContact CD2-CD2 4.39Å; Y502-L665 HydrophobicContact CE2-CD1 4.25Å; Y502-L665 HydrophobicContact CE2-CD2 4.2Å
503	I	86.9	Confident	79.7	Confident	38 Å²	38	56 Å²	56	20%	0.195	29%	0.289	C	S	.	.			trans	-69.2	137.5	162.8	-60.6	172.5	0	0	0	107.9	P489 I494 H524	P489-I503 HydrophobicContact CB-CG2 4.46Å; P489-I503 HydrophobicContact CG-CG2 3.74Å; I494-I503 HydrophobicContact CB-CD1 4.33Å; I494-I503 HydrophobicContact CG2-CD1 3.84Å; I494-I503 HydrophobicContact CG2-CG1 4.3Å; I503-H524 HydrophobicContact CB-CB 4.07Å; I503-H524 HydrophobicContact CG2-CB 4.38Å; I503-H524 PolarHBondContact O-CD2 2.65Å; I503-H524 PolarHBondContact O-N 3.16Å
504	T	89.4	Confident	81.6	Confident	18 Å²	18	51.8 Å²	51.8	11%	0.11	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.7	175.6	65.2	0	0	0	0	111.1	F500 R521 R522 I523	F500-T504 HydrophobicContact CD2-CG2 3.87Å; T504-R521 PolarHBondContact OG1-NH1 3.17Å; T504-R522 WeakPolarHBondContact CA-O 3.5Å; T504-I523 HydrophobicContact CG2-CD1 3.54Å
505	S	90.3	Very high	83.3	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.007	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157	166.8	55	0	0	0	0	111	Y507 R522 H524	S505-Y507 WeakPolarHBondContact OG-CE2 3.48Å; S505-Y507 VanDerWaalsContact OG-CZ 3.32Å; S505-Y507 PolarHBondContact OG-OH 3.43Å; S505-R522 PolarHBondContact N-O 2.7Å; S505-R522 VanDerWaalsContact N-O 3.08Å; S505-R522 PolarHBondContact O-N 3.41Å; S505-H524 PolarHBondContact N-NE2 3.32Å; S505-H524 PolarHBondContact OG-NE2 3.07Å
506	C	91.6	Very high	85	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.014	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.8	178.4	-72.5	0	0	0	0	111.3	P484 L485 E486 L520 R521	P484-C506 WeakPolarHBondContact CA-O 3.32Å; L485-C506 HydrophobicContact CB-CB 3.98Å; L485-C506 HydrophobicContact CD1-CB 4.44Å; L485-C506 PolarHBondContact N-O 3.24Å; E486-C506 VanDerWaalsContact CD-SG 3.53Å; E486-C506 HydrophobicContact CG-CB 4.08Å; E486-C506 PolarHBondContact OE1-SG 3.06Å; C506-L520 WeakPolarHBondContact CA-O 3.46Å; C506-R521 PolarHBondContact SG-NH1 2.83Å; C506-R521 PolarHBondContact SG-NH2 3.14Å
507	Y	92.4	Very high	86.6	Confident	3 Å²	3	44.8 Å²	44.8	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.3	174.3	-48.1	-93.5	0	0	0	109.5	V472 L482 F483 P484 L488 S505 C519 L520 R522 F560	V472-Y507 HydrophobicContact CG1-CD1 4.37Å; V472-Y507 HydrophobicContact CG1-CE1 4.22Å; V472-Y507 HydrophobicContact CG2-CE1 4.27Å; L482-Y507 HydrophobicContact CB-CD1 4.49Å; L482-Y507 HydrophobicContact CD2-CD1 4.42Å; L482-Y507 HydrophobicContact CD2-CG 4.26Å; F483-Y507 CarbonylContact O-C 3.59Å; F483-Y507 VanDerWaalsContact O-CA 3.24Å; F483-Y507 WeakPolarHBondContact O-CA 3.39Å; P484-Y507 HydrophobicContact CB-CD1 4.44Å; P484-Y507 HydrophobicContact CG-CD1 4.03Å; P484-Y507 HydrophobicContact CG-CE1 4.08Å; L488-Y507 HydrophobicContact CD2-CE1 4.04Å; S505-Y507 WeakPolarHBondContact OG-CE2 3.48Å; S505-Y507 VanDerWaalsContact OG-CZ 3.32Å; S505-Y507 PolarHBondContact OG-OH 3.43Å; Y507-C519 CarbonylContact O-C 3.57Å; Y507-C519 WeakPolarHBondContact O-CA 3.2Å; Y507-L520 PolarHBondContact N-O 2.85Å; Y507-L520 PolarHBondContact O-N 2.94Å; Y507-R522 HydrophobicContact CE2-CB 4.01Å; Y507-F560 HydrophobicContact CD2-CZ 4.36Å; Y507-F560 HydrophobicContact CE1-CE1 4.4Å; Y507-F560 AromaticContact CE2-CE1 3.89Å; Y507-F560 HydrophobicContact CE2-CE1 3.89Å; Y507-F560 AromaticContact CE2-CZ 3.92Å; Y507-F560 HydrophobicContact CE2-CZ 3.92Å; Y507-F560 AromaticContact CZ-CE1 3.78Å
508	K	93.6	Very high	88.2	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.017	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	136.4	153.3	176.7	-176.3	71.5	76.7	0	106.9	I459 T460 A462 L482 F483 L485 Y518 F571	I459-K508 WeakPolarHBondContact O-CE 3.36Å; T460-K508 WeakPolarHBondContact O-CD 3.19Å; T460-K508 WeakPolarHBondContact O-CE 3.32Å; T460-K508 PolarHBondContact O-NZ 3.24Å; A462-K508 WeakPolarHBondContact O-CE 3.36Å; A462-K508 PolarHBondContact O-NZ 3.25Å; L482-K508 CarbonylContact C-O 3.57Å; L482-K508 VanDerWaalsContact CA-O 3.27Å; L482-K508 WeakPolarHBondContact CA-O 3.4Å; F483-K508 HydrophobicContact CB-CB 4.41Å; F483-K508 PolarHBondContact N-O 2.8Å; F483-K508 PolarHBondContact O-N 3.11Å; L485-K508 HydrophobicContact CD1-CB 4.28Å; L485-K508 HydrophobicContact CD2-CB 4.09Å; L485-K508 HydrophobicContact CG-CB 4.28Å; K508-Y518 CarbonylContact C-O 3.49Å; K508-Y518 WeakPolarHBondContact CA-O 3.44Å; K508-F571 HydrophobicContact CB-CD2 4.36Å; K508-F571 HydrophobicContact CB-CE2 3.96Å; K508-F571 HydrophobicContact CB-CZ 4.23Å; K508-F571 HydrophobicContact CD-CD1 4.28Å; K508-F571 HydrophobicContact CD-CE1 3.68Å; K508-F571 HydrophobicContact CD-CE2 4.2Å; K508-F571 HydrophobicContact CD-CZ 3.64Å; K508-F571 HydrophobicContact CG-CD1 4.41Å; K508-F571 HydrophobicContact CG-CD2 4.26Å; K508-F571 HydrophobicContact CG-CE1 4.19Å; K508-F571 HydrophobicContact CG-CE2 4.06Å; K508-F571 HydrophobicContact CG-CG 4.45Å; K508-F571 HydrophobicContact CG-CZ 4.02Å
509	A	93.6	Very high	89.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	167.2	169.6	0	0	0	0	0	109.5	Y479 H480 L482 P517 Y518 L520	Y479-A509 HydrophobicContact CD1-CB 4.27Å; H480-A509 WeakPolarHBondContact O-CA 3.33Å; L482-A509 HydrophobicContact CD1-CB 4.15Å; L482-A509 HydrophobicContact CG-CB 4.14Å; A509-P517 CarbonylContact O-C 3.47Å; A509-P517 WeakPolarHBondContact O-CA 3.36Å; A509-Y518 PolarHBondContact N-O 3.42Å; A509-Y518 PolarHBondContact O-N 3.01Å; A509-L520 HydrophobicContact CB-CD1 3.61Å; A509-L520 HydrophobicContact CB-CG 3.93Å
510	V	92.8	Very high	91.1	Very high	28 Å²	28	38 Å²	38	17%	0.17	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.1	172.4	-179.2	0	0	0	0	108.5	Y479 H480 L516	Y479-V510 CarbonylContact C-O 3.49Å; Y479-V510 VanDerWaalsContact CA-O 3.25Å; Y479-V510 WeakPolarHBondContact CA-O 3.34Å; H480-V510 PolarHBondContact CD2-O 3.01Å; H480-V510 PolarHBondContact N-O 2.88Å; H480-V510 PolarHBondContact O-N 3.11Å; V510-L516 WeakPolarHBondContact CA-O 3.24Å
511	N	94.1	Very high	91.7	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.053	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.5	-179.6	174	16.7	0	0	0	111.1	S478 Y479 K513 D514 D515 L516 Y518	S478-N511 WeakPolarHBondContact O-CA 3.36Å; S478-N511 PolarHBondContact O-OD1 2.85Å; Y479-N511 HydrophobicContact CD1-CB 3.92Å; Y479-N511 HydrophobicContact CE1-CB 3.7Å; N511-K513 PolarHBondContact O-N 3.29Å; N511-K513 PolarHBondContact OD1-N 3.25Å; N511-D514 WeakPolarHBondContact CB-OD1 3.49Å; N511-D514 PolarHBondContact ND2-OD1 2.95Å; N511-D514 PolarHBondContact ND2-OD2 2.87Å; N511-D514 PolarHBondContact O-N 2.92Å; N511-D515 WeakPolarHBondContact O-CA 3.28Å; N511-D515 PolarHBondContact O-N 2.78Å; N511-L516 PolarHBondContact N-O 2.74Å; N511-L516 VanDerWaalsContact N-O 3.11Å; N511-Y518 HydrophobicContact CB-CD2 3.72Å; N511-Y518 HydrophobicContact CB-CE2 3.68Å
512	S	93.8	Very high	92.4	Very high	70 Å²	70	37 Å²	37	49%	0.49	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	0	-177.5	-40	0	0	0	0	115	S478 H480	S478-S512 PolarHBondContact O-N 3.42Å; S478-S512 PolarHBondContact O-OG 3.33Å; H480-S512 PolarHBondContact CD2-OG 3.33Å
513	K	93.2	Very high	92.8	Very high	134 Å²	134	32.8 Å²	32.8	58%	0.583	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-23.8	-178.6	-61.5	167.6	-174.1	152.5	0	113.7	S478 N511	S478-K513 WeakPolarHBondContact OG-CE 3.15Å; S478-K513 PolarHBondContact OG-NZ 2.67Å; N511-K513 PolarHBondContact O-N 3.29Å; N511-K513 PolarHBondContact OD1-N 3.25Å
514	D	92.7	Very high	93	Very high	65 Å²	65	32.4 Å²	32.4	35%	0.348	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.4	-1.2	-173.9	56.2	36.1	0	0	0	114	N511 L516 Y518	N511-D514 WeakPolarHBondContact CB-OD1 3.49Å; N511-D514 PolarHBondContact ND2-OD1 2.95Å; N511-D514 PolarHBondContact ND2-OD2 2.87Å; N511-D514 PolarHBondContact O-N 2.92Å; D514-L516 HydrophobicContact CB-CD1 4.48Å; D514-L516 HydrophobicContact CB-CG 4.24Å; D514-L516 PolarHBondContact O-N 3.29Å; D514-L516 VanDerWaalsContact O-N 3.11Å; D514-L516 WeakPolarHBondContact OD1-CB 3.33Å; D514-L516 PolarHBondContact OD1-N 2.88Å; D514-Y518 PolarHBondContact OD2-OH 2.77Å
515	D	89.6	Confident	92.9	Very high	125 Å²	125	33.5 Å²	33.5	67%	0.668	19%	0.187	S	C	*	.			trans	56.4	17.2	-176.6	-61.4	-47.5	0	0	0	114.7	N511	N511-D515 WeakPolarHBondContact O-CA 3.28Å; N511-D515 PolarHBondContact O-N 2.78Å
516	L	92.4	Very high	92.8	Very high	89 Å²	89	34.5 Å²	34.5	47%	0.466	19%	0.191	S	C	.	.			trans	-88.6	148.4	-179.1	-60.3	-178.2	0	0	0	112.6	V510 N511 D514 Y518	V510-L516 WeakPolarHBondContact CA-O 3.24Å; N511-L516 PolarHBondContact N-O 2.74Å; N511-L516 VanDerWaalsContact N-O 3.11Å; D514-L516 HydrophobicContact CB-CD1 4.48Å; D514-L516 HydrophobicContact CB-CG 4.24Å; D514-L516 PolarHBondContact O-N 3.29Å; D514-L516 VanDerWaalsContact O-N 3.11Å; D514-L516 WeakPolarHBondContact OD1-CB 3.33Å; D514-L516 PolarHBondContact OD1-N 2.88Å; L516-Y518 HydrophobicContact CB-CE2 3.72Å; L516-Y518 VanDerWaalsContact O-CD2 3.23Å; L516-Y518 WeakPolarHBondContact O-CD2 3.5Å; L516-Y518 WeakPolarHBondContact O-CE2 3.41Å
517	P	93.1	Very high	92.6	Very high	38 Å²	38	43.4 Å²	43.4	25%	0.247	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.7	176.2	32.3	-34.6	0	0	0	112	T460 A509 F571	T460-P517 HydrophobicContact CG2-CB 4.1Å; T460-P517 HydrophobicContact CG2-CG 3.88Å; A509-P517 CarbonylContact O-C 3.47Å; A509-P517 WeakPolarHBondContact O-CA 3.36Å; P517-F571 HydrophobicContact CB-CB 4.09Å; P517-F571 HydrophobicContact CB-CD1 3.93Å; P517-F571 HydrophobicContact CB-CG 4.29Å; P517-F571 HydrophobicContact CG-CB 4.41Å; P517-F571 HydrophobicContact CG-CD1 4.25Å; P517-F571 WeakPolarHBondContact O-CB 3.1Å
518	Y	95.7	Very high	92.4	Very high	21 Å²	21	45.6 Å²	45.6	8%	0.082	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.7	178.1	-68.9	-78.1	0	0	0	112.2	Y479 K508 A509 N511 D514 L516 R552 Y569	Y479-Y518 HydrophobicContact CD1-CD2 4.49Å; Y479-Y518 AromaticContact CE1-CD2 3.7Å; Y479-Y518 HydrophobicContact CE1-CD2 3.7Å; Y479-Y518 AromaticContact CE1-CG 3.93Å; Y479-Y518 HydrophobicContact CE1-CG 3.93Å; K508-Y518 CarbonylContact C-O 3.49Å; K508-Y518 WeakPolarHBondContact CA-O 3.44Å; A509-Y518 PolarHBondContact N-O 3.42Å; A509-Y518 PolarHBondContact O-N 3.01Å; N511-Y518 HydrophobicContact CB-CD2 3.72Å; N511-Y518 HydrophobicContact CB-CE2 3.68Å; D514-Y518 PolarHBondContact OD2-OH 2.77Å; L516-Y518 HydrophobicContact CB-CE2 3.72Å; L516-Y518 VanDerWaalsContact O-CD2 3.23Å; L516-Y518 WeakPolarHBondContact O-CD2 3.5Å; L516-Y518 WeakPolarHBondContact O-CE2 3.41Å; Y518-R552 HydrophobicContact CD1-CG 4.3Å; Y518-R552 HydrophobicContact CE1-CG 3.89Å; Y518-Y569 WeakPolarHBondContact CD1-O 3.44Å
519	C	95.4	Very high	91.9	Very high	14 Å²	14	52.3 Å²	52.3	10%	0.095	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	106.2	172.5	-174.3	0	0	0	0	109.4	Y507 Y569 F571	Y507-C519 CarbonylContact O-C 3.57Å; Y507-C519 WeakPolarHBondContact O-CA 3.2Å; C519-Y569 PolarHBondContact N-O 3.24Å; C519-Y569 PolarHBondContact O-N 2.87Å; C519-F571 HydrophobicContact CB-CD2 4.28Å
520	L	96.1	Very high	91.3	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	109.4	175.3	-58.8	-172.9	0	0	0	109.7	Y479 C506 Y507 A509 V566 F567 A568	Y479-L520 HydrophobicContact CD1-CD1 4.44Å; Y479-L520 HydrophobicContact CD1-CD2 4.04Å; Y479-L520 HydrophobicContact CD2-CD1 4.4Å; Y479-L520 HydrophobicContact CD2-CD2 4.12Å; Y479-L520 HydrophobicContact CE1-CD2 4.04Å; Y479-L520 HydrophobicContact CE2-CD2 4.13Å; Y479-L520 HydrophobicContact CG-CD1 4Å; Y479-L520 HydrophobicContact CG-CD2 4.08Å; C506-L520 WeakPolarHBondContact CA-O 3.46Å; Y507-L520 PolarHBondContact N-O 2.85Å; Y507-L520 PolarHBondContact O-N 2.94Å; A509-L520 HydrophobicContact CB-CD1 3.61Å; A509-L520 HydrophobicContact CB-CG 3.93Å; L520-V566 HydrophobicContact CB-CG1 3.95Å; L520-V566 HydrophobicContact CD2-CG1 4.07Å; L520-V566 HydrophobicContact CG-CG1 4.4Å; L520-F567 WeakPolarHBondContact CA-O 3.23Å; L520-A568 HydrophobicContact CD2-CB 3.66Å
521	R	94.5	Very high	91	Very high	8 Å²	8	57.8 Å²	57.8	3%	0.03	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112	167.9	-176.8	170.2	-70.1	-77	-0.4	109.6	E486 T504 C506 I523 V566 F567 Y569 C658	E486-R521 IonicContact OE1-CZ 3.71Å; E486-R521 IonicContact OE1-NH1 2.74Å; E486-R521 PolarHBondContact OE1-NH1 2.81Å; E486-R521 IonicContact OE1-NH2 3.98Å; E486-R521 PolarHBondContact OE1-NH2 3Å; E486-R521 IonicContact OE2-NH1 3.97Å; T504-R521 PolarHBondContact OG1-NH1 3.17Å; C506-R521 PolarHBondContact SG-NH1 2.83Å; C506-R521 PolarHBondContact SG-NH2 3.14Å; R521-I523 HydrophobicContact CG-CD1 4.45Å; R521-V566 WeakPolarHBondContact O-CA 3.49Å; R521-F567 PolarHBondContact N-O 2.85Å; R521-F567 PolarHBondContact O-N 2.91Å; R521-Y569 HydrophobicContact CB-CE2 4.3Å; R521-C658 PolarHBondContact NE-SG 3.08Å
522	R	93.7	Very high	90.6	Very high	19 Å²	19	61.6 Å²	61.6	7%	0.072	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.2	175.4	177.9	-175.8	167.3	-156.9	-9.8	110.5	T504 S505 Y507 H524 F560 E562 S564 L565 V566	T504-R522 WeakPolarHBondContact CA-O 3.5Å; S505-R522 PolarHBondContact N-O 2.7Å; S505-R522 VanDerWaalsContact N-O 3.08Å; S505-R522 PolarHBondContact O-N 3.41Å; Y507-R522 HydrophobicContact CE2-CB 4.01Å; R522-H524 VanDerWaalsContact CZ-CE1 3.44Å; R522-H524 PolarHBondContact NH1-CE1 2.92Å; R522-H524 PolarHBondContact NH2-ND1 2.98Å; R522-F560 HydrophobicContact CG-CE2 4.39Å; R522-F560 VanDerWaalsContact CZ-CB 3.4Å; R522-E562 IonicContact CZ-OE1 2.69Å; R522-E562 IonicContact NE-OE1 3.18Å; R522-E562 VanDerWaalsContact NH2-CG 3.28Å; R522-E562 IonicContact NH2-OE1 3.47Å; R522-E562 PolarHBondContact NH2-OE1 2.83Å; R522-S564 PolarHBondContact NE-OG 2.79Å; R522-L565 CarbonylContact C-O 3.18Å; R522-L565 WeakPolarHBondContact CA-O 3.19Å; R522-V566 HydrophobicContact CB-CG2 4.45Å
523	I	93.3	Very high	90.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121	164.5	-43.7	-58	0	0	0	107.6	Y502 T504 R521 F526 S564 L565 F567 V661 L665	Y502-I523 HydrophobicContact CD1-CG2 4.21Å; Y502-I523 HydrophobicContact CD2-CG2 4.12Å; Y502-I523 HydrophobicContact CG-CG2 3.69Å; T504-I523 HydrophobicContact CG2-CD1 3.54Å; R521-I523 HydrophobicContact CG-CD1 4.45Å; I523-F526 HydrophobicContact CB-CB 4.34Å; I523-F526 HydrophobicContact CG2-CB 4.03Å; I523-S564 WeakPolarHBondContact O-CA 3.25Å; I523-L565 HydrophobicContact CB-CB 4.3Å; I523-L565 PolarHBondContact N-O 2.91Å; I523-L565 PolarHBondContact O-N 3.45Å; I523-L565 VanDerWaalsContact O-N 3.16Å; I523-F567 HydrophobicContact CD1-CE2 4.37Å; I523-F567 HydrophobicContact CG1-CD2 4.21Å; I523-F567 HydrophobicContact CG1-CE2 3.8Å; I523-V661 HydrophobicContact CD1-CG1 4.38Å; I523-L665 HydrophobicContact CD1-CD1 4.36Å; I523-L665 HydrophobicContact CG1-CD1 4.47Å; I523-L665 HydrophobicContact CG1-CD2 4.37Å; I523-L665 HydrophobicContact CG2-CD1 4.46Å; I523-L665 HydrophobicContact CG2-CD2 4.16Å
524	H	91	Very high	90.1	Very high	30 Å²	30	54.3 Å²	54.3	14%	0.139	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	145.6	-172.4	-63.8	-134.7	0	0	0	111.2	I503 S505 R522 F526 E562	I503-H524 HydrophobicContact CB-CB 4.07Å; I503-H524 HydrophobicContact CG2-CB 4.38Å; I503-H524 PolarHBondContact O-CD2 2.65Å; I503-H524 PolarHBondContact O-N 3.16Å; S505-H524 PolarHBondContact N-NE2 3.32Å; S505-H524 PolarHBondContact OG-NE2 3.07Å; R522-H524 VanDerWaalsContact CZ-CE1 3.44Å; R522-H524 PolarHBondContact NH1-CE1 2.92Å; R522-H524 PolarHBondContact NH2-ND1 2.98Å; H524-F526 PolarHBondContact O-N 2.84Å; H524-E562 WeakPolarHBondContact CA-OE1 3.26Å; H524-E562 WeakPolarHBondContact CB-OE1 3.42Å; H524-E562 IonicContact CG-OE1 3.31Å
525	G	87.8	Confident	90	Very high	41 Å²	41	55.3 Å²	55.3	42%	0.423	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	1.2	178.9	0	0	0	0	0	116.5	E562 P563	G525-E562 PolarHBondContact N-OE1 3.23Å; G525-E562 PolarHBondContact N-OE2 3.18Å; G525-P563 CarbonylContact C-O 3.57Å; G525-P563 WeakPolarHBondContact CA-O 3.36Å; G525-P563 PolarHBondContact N-O 3.44Å
526	F	88.9	Confident	90.1	Very high	23 Å²	23	49.7 Å²	49.7	10%	0.101	26%	0.264	C	S	.	.			trans	-77.2	129.6	-173	-168.6	-88.7	0	0	0	112.4	Y502 I523 H524 L528 P563 L565 L665	Y502-F526 HydrophobicContact CD1-CD2 4.4Å; Y502-F526 AromaticContact CE1-CD2 3.77Å; Y502-F526 HydrophobicContact CE1-CD2 3.77Å; Y502-F526 HydrophobicContact CE1-CE2 4.46Å; Y502-F526 HydrophobicContact CE2-CD2 4.17Å; Y502-F526 HydrophobicContact CE2-CE2 4.32Å; Y502-F526 AromaticContact CZ-CD2 3.65Å; Y502-F526 AromaticContact CZ-CE2 3.9Å; I523-F526 HydrophobicContact CB-CB 4.34Å; I523-F526 HydrophobicContact CG2-CB 4.03Å; H524-F526 PolarHBondContact O-N 2.84Å; F526-L528 HydrophobicContact CE1-CB 4.12Å; F526-L528 HydrophobicContact CE1-CD1 4Å; F526-P563 PolarHBondContact N-O 3.39Å; F526-L565 HydrophobicContact CB-CB 4.13Å; F526-L565 HydrophobicContact CD1-CB 3.77Å; F526-L565 HydrophobicContact CD1-CD2 3.74Å; F526-L565 HydrophobicContact CD1-CG 4.31Å; F526-L565 HydrophobicContact CE1-CD2 3.83Å; F526-L565 HydrophobicContact CG-CB 4.25Å; F526-L565 HydrophobicContact CG-CD2 4.43Å; F526-L665 HydrophobicContact CD1-CD2 4.47Å; F526-L665 HydrophobicContact CD2-CD2 3.56Å; F526-L665 HydrophobicContact CE1-CD2 4.31Å; F526-L665 HydrophobicContact CE2-CD2 3.39Å; F526-L665 HydrophobicContact CG-CD2 4.11Å; F526-L665 HydrophobicContact CZ-CD2 3.79Å
527	R	88	Confident	90.2	Very high	188 Å²	188	45.5 Å²	45.5	71%	0.709	24%	0.243	S	C	*	.			trans	-111.5	112.2	172.9	-63.1	-177.3	-175.8	-164.7	0.6	109.3	V529 P563	R527-V529 PolarHBondContact O-N 2.76Å; R527-V529 VanDerWaalsContact O-N 3.15Å; R527-P563 HydrophobicContact CG-CB 3.97Å; R527-P563 HydrophobicContact CG-CG 4Å
528	L	86.3	Confident	90.2	Very high	50 Å²	50	47 Å²	47	26%	0.262	25%	0.249	S	C	.	.			trans	-72	106.1	174.3	-172.3	67.1	0	0	0	109.6	F526 N530 T556 V664	F526-L528 HydrophobicContact CE1-CB 4.12Å; F526-L528 HydrophobicContact CE1-CD1 4Å; L528-N530 WeakPolarHBondContact CD1-O 3.3Å; L528-T556 HydrophobicContact CB-CG2 3.71Å; L528-T556 HydrophobicContact CD2-CG2 4.36Å; L528-V664 HydrophobicContact CD1-CG1 3.8Å
529	V	84.4	Confident	90.2	Very high	144 Å²	144	48.2 Å²	48.2	87%	0.873	26%	0.256	S	S	*	.			trans	-85.5	-24.7	-179.6	-177.3	0	0	0	0	112	R527	R527-V529 PolarHBondContact O-N 2.76Å; R527-V529 VanDerWaalsContact O-N 3.15Å
530	N	79.8	Confident	90.2	Very high	39 Å²	39	47.7 Å²	47.7	21%	0.209	25%	0.252	C	S	.	.			trans	-134.1	128.7	-172.2	-166.9	-22	0	0	0	111.1	L528 K532 C533 N669	L528-N530 WeakPolarHBondContact CD1-O 3.3Å; N530-K532 WeakPolarHBondContact OD1-CB 3.48Å; N530-K532 WeakPolarHBondContact OD1-CG 3.46Å; N530-K532 PolarHBondContact OD1-N 2.9Å; N530-C533 PolarHBondContact O-SG 3.26Å; N530-N669 WeakPolarHBondContact ND2-CB 3.29Å; N530-N669 VanDerWaalsContact ND2-CG 3.3Å; N530-N669 PolarHBondContact ND2-OD1 2.88Å
531	T	86.5	Confident	90.2	Very high	105 Å²	105	52 Å²	52	64%	0.644	27%	0.271	S	S	*	.	S	Bend	trans	-93	-5.9	-179.8	50.7	0	0	0	0	113.9	C533 M534	T531-C533 PolarHBondContact O-N 3Å; T531-C533 VanDerWaalsContact O-N 3.16Å; T531-M534 VanDerWaalsContact O-CB 3.28Å; T531-M534 WeakPolarHBondContact O-CB 3.29Å; T531-M534 VanDerWaalsContact O-CG 3.26Å; T531-M534 WeakPolarHBondContact O-CG 3.45Å; T531-M534 PolarHBondContact O-N 2.87Å
532	K	85.8	Confident	90.2	Very high	89 Å²	89	59.7 Å²	59.7	39%	0.387	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.5	176.5	-72.5	-179.5	-178.2	176	0	112.9	N530 M534 V535 F667 N669 N673	N530-K532 WeakPolarHBondContact OD1-CB 3.48Å; N530-K532 WeakPolarHBondContact OD1-CG 3.46Å; N530-K532 PolarHBondContact OD1-N 2.9Å; K532-M534 PolarHBondContact O-N 2.95Å; K532-V535 PolarHBondContact O-N 2.15Å; K532-F667 HydrophobicContact CB-CE1 3.89Å; K532-F667 HydrophobicContact CB-CZ 3.59Å; K532-F667 HydrophobicContact CD-CZ 4.44Å; K532-N669 PolarHBondContact NZ-OD1 3.43Å; K532-N673 PolarHBondContact NZ-OD1 3.44Å
533	C	86.3	Confident	90.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.5	176.3	64.6	0	0	0	0	113.7	N530 T531 V535 L536 V537 V664 F667	N530-C533 PolarHBondContact O-SG 3.26Å; T531-C533 PolarHBondContact O-N 3Å; T531-C533 VanDerWaalsContact O-N 3.16Å; C533-V535 PolarHBondContact O-N 2.68Å; C533-L536 WeakPolarHBondContact O-CB 3.2Å; C533-L536 PolarHBondContact O-N 3.17Å; C533-V537 PolarHBondContact O-N 3.2Å; C533-V664 HydrophobicContact CB-CG2 4.49Å; C533-F667 HydrophobicContact CB-CB 3.94Å; C533-F667 HydrophobicContact CB-CD1 4.19Å; C533-F667 HydrophobicContact CB-CD2 3.57Å; C533-F667 HydrophobicContact CB-CE2 4.11Å; C533-F667 HydrophobicContact CB-CG 3.61Å
534	M	90.7	Very high	90.4	Very high	51 Å²	51	67.2 Å²	67.2	25%	0.251	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-22.1	179.5	-62	-58.1	-68.7	0	0	112.6	T531 K532 L536 V537 D538 V554	T531-M534 VanDerWaalsContact O-CB 3.28Å; T531-M534 WeakPolarHBondContact O-CB 3.29Å; T531-M534 VanDerWaalsContact O-CG 3.26Å; T531-M534 WeakPolarHBondContact O-CG 3.45Å; T531-M534 PolarHBondContact O-N 2.87Å; K532-M534 PolarHBondContact O-N 2.95Å; M534-L536 VanDerWaalsContact C-N 3.27Å; M534-L536 PolarHBondContact O-N 3.49Å; M534-V537 HydrophobicContact CE-CB 4.31Å; M534-V537 HydrophobicContact CE-CG1 4.17Å; M534-V537 HydrophobicContact CE-CG2 4.46Å; M534-V537 CarbonylContact O-C 3.6Å; M534-V537 WeakPolarHBondContact O-CA 3.24Å; M534-V537 WeakPolarHBondContact O-CB 3.34Å; M534-V537 PolarHBondContact O-N 2.86Å; M534-V537 VanDerWaalsContact O-N 3.09Å; M534-V537 HydrophobicContact SD-CB 4.43Å; M534-V537 HydrophobicContact SD-CG2 4.05Å; M534-D538 PolarHBondContact O-N 2.99Å; M534-V554 HydrophobicContact CE-CB 4.36Å
535	V	90.9	Very high	90.6	Very high	87 Å²	87	67.7 Å²	67.7	53%	0.527	34%	0.343	S	S	.	.	H	α-helix	trans	-58.8	-39.3	170.8	-179.7	0	0	0	0	111.3	K532 C533 D538 M539	K532-V535 PolarHBondContact O-N 2.15Å; C533-V535 PolarHBondContact O-N 2.68Å; V535-D538 PolarHBondContact O-N 3.13Å; V535-M539 WeakPolarHBondContact O-CG 3.17Å; V535-M539 PolarHBondContact O-N 3.2Å; V535-M539 VanDerWaalsContact O-N 3.07Å
536	L	91.7	Very high	90.9	Very high	6 Å²	6	68.9 Å²	68.9	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-71.9	-34.3	175.2	-61.6	177.2	0	0	0	111.5	C533 M534 M539 W540 L636 D663 P675 L676 M679	C533-L536 WeakPolarHBondContact O-CB 3.2Å; C533-L536 PolarHBondContact O-N 3.17Å; M534-L536 VanDerWaalsContact C-N 3.27Å; M534-L536 PolarHBondContact O-N 3.49Å; L536-M539 HydrophobicContact CD2-SD 4.11Å; L536-M539 PolarHBondContact O-N 3.24Å; L536-W540 VanDerWaalsContact O-CD1 3.24Å; L536-W540 PolarHBondContact O-N 3.49Å; L536-L636 HydrophobicContact CD2-CD2 3.89Å; L536-D663 HydrophobicContact CB-CB 4.27Å; L536-D663 HydrophobicContact CD1-CB 3.86Å; L536-P675 HydrophobicContact CD1-CB 4Å; L536-P675 HydrophobicContact CD2-CB 4.15Å; L536-P675 HydrophobicContact CG-CB 4.15Å; L536-L676 HydrophobicContact CD2-CD2 3.88Å; L536-M679 HydrophobicContact CD2-CE 4.33Å
537	V	94	Very high	91.2	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.012	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-42.6	173.2	177.6	0	0	0	0	111.1	C533 M534 M539 W540 K541 L551 V554 V664	C533-V537 PolarHBondContact O-N 3.2Å; M534-V537 HydrophobicContact CE-CB 4.31Å; M534-V537 HydrophobicContact CE-CG1 4.17Å; M534-V537 HydrophobicContact CE-CG2 4.46Å; M534-V537 CarbonylContact O-C 3.6Å; M534-V537 WeakPolarHBondContact O-CA 3.24Å; M534-V537 WeakPolarHBondContact O-CB 3.34Å; M534-V537 PolarHBondContact O-N 2.86Å; M534-V537 VanDerWaalsContact O-N 3.09Å; M534-V537 HydrophobicContact SD-CB 4.43Å; M534-V537 HydrophobicContact SD-CG2 4.05Å; V537-M539 VanDerWaalsContact C-N 3.3Å; V537-M539 PolarHBondContact O-N 3.36Å; V537-W540 PolarHBondContact O-N 3.36Å; V537-K541 HydrophobicContact CG1-CD 3.88Å; V537-K541 HydrophobicContact CG1-CG 4.47Å; V537-K541 WeakPolarHBondContact O-CB 3.26Å; V537-K541 VanDerWaalsContact O-CG 3.32Å; V537-K541 WeakPolarHBondContact O-CG 3.21Å; V537-K541 PolarHBondContact O-N 2.95Å; V537-L551 HydrophobicContact CG1-CD2 4.13Å; V537-V554 HydrophobicContact CG1-CB 4.01Å; V537-V554 HydrophobicContact CG1-CG2 3.59Å; V537-V554 HydrophobicContact CG2-CB 4.4Å; V537-V554 HydrophobicContact CG2-CG2 4.08Å; V537-V664 HydrophobicContact CG2-CG2 3.65Å
538	D	94.3	Very high	91.7	Very high	70 Å²	70	59.6 Å²	59.6	37%	0.374	31%	0.31	S	S	.	.	H	α-helix	trans	-74.6	-15.8	176.4	-74	-37	0	0	0	113.8	M534 V535 K541 K542	M534-D538 PolarHBondContact O-N 2.99Å; V535-D538 PolarHBondContact O-N 3.13Å; D538-K541 WeakPolarHBondContact OD1-CE 3.15Å; D538-K541 IonicContact OD1-NZ 2.71Å; D538-K541 PolarHBondContact OD1-NZ 3.09Å; D538-K542 VanDerWaalsContact O-CD 3.29Å; D538-K542 WeakPolarHBondContact O-CD 3.26Å; D538-K542 WeakPolarHBondContact O-CE 3.24Å; D538-K542 WeakPolarHBondContact O-CG 3.4Å
539	M	95	Very high	92.1	Very high	46 Å²	46	57.3 Å²	57.3	23%	0.227	30%	0.298	C	S	.	.	H	α-helix	trans	-76.1	-47.6	162.5	-69.5	173.4	69.1	0	0	110.8	V535 L536 V537 K541 K542 A634 L636	V535-M539 WeakPolarHBondContact O-CG 3.17Å; V535-M539 PolarHBondContact O-N 3.2Å; V535-M539 VanDerWaalsContact O-N 3.07Å; L536-M539 HydrophobicContact CD2-SD 4.11Å; L536-M539 PolarHBondContact O-N 3.24Å; V537-M539 VanDerWaalsContact C-N 3.3Å; V537-M539 PolarHBondContact O-N 3.36Å; M539-K541 VanDerWaalsContact C-N 3.34Å; M539-K541 PolarHBondContact O-N 3.32Å; M539-K542 WeakPolarHBondContact O-CB 3.48Å; M539-K542 PolarHBondContact O-N 3.22Å; M539-K542 VanDerWaalsContact O-N 3.08Å; M539-A634 VanDerWaalsContact CE-O 3.24Å; M539-A634 WeakPolarHBondContact CE-O 3.24Å; M539-L636 HydrophobicContact CB-CD1 3.95Å; M539-L636 HydrophobicContact CB-CD2 4.18Å; M539-L636 HydrophobicContact CB-CG 4.41Å; M539-L636 HydrophobicContact CE-CD2 3.69Å; M539-L636 HydrophobicContact CE-CG 4.1Å; M539-L636 HydrophobicContact SD-CD2 4.13Å
540	W	96.1	Very high	92.7	Very high	3 Å²	3	51 Å²	51	1%	0.011	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-40.8	177.3	-86.1	116.4	0	0	0	113.3	L536 V537 K542 I543 L551 I631 L636 A637 V659 G660 D663	L536-W540 VanDerWaalsContact O-CD1 3.24Å; L536-W540 PolarHBondContact O-N 3.49Å; V537-W540 PolarHBondContact O-N 3.36Å; W540-K542 PolarHBondContact O-N 2.98Å; W540-K542 VanDerWaalsContact O-N 3.13Å; W540-I543 HydrophobicContact CE3-CD1 3.84Å; W540-I543 HydrophobicContact CZ3-CD1 3.93Å; W540-I543 PolarHBondContact O-N 2.96Å; W540-L551 HydrophobicContact CB-CD2 3.91Å; W540-I631 HydrophobicContact CH2-CB 4.38Å; W540-I631 HydrophobicContact CH2-CD1 3.97Å; W540-I631 HydrophobicContact CH2-CG1 3.85Å; W540-I631 HydrophobicContact CH2-CG2 3.6Å; W540-I631 HydrophobicContact CZ2-CG2 4.24Å; W540-I631 HydrophobicContact CZ3-CD1 4.26Å; W540-I631 HydrophobicContact CZ3-CG1 3.91Å; W540-I631 HydrophobicContact CZ3-CG2 4.32Å; W540-L636 HydrophobicContact CD2-CD1 3.58Å; W540-L636 HydrophobicContact CE3-CD1 4.11Å; W540-L636 HydrophobicContact CG-CD1 3.76Å; W540-L636 HydrophobicContact CZ2-CB 4.23Å; W540-L636 HydrophobicContact CZ2-CD1 4.17Å; W540-A637 WeakPolarHBondContact CZ2-O 3.31Å; W540-V659 HydrophobicContact CD2-CB 4.25Å; W540-V659 HydrophobicContact CD2-CG2 4.47Å; W540-V659 HydrophobicContact CE3-CB 3.85Å; W540-V659 HydrophobicContact CE3-CG2 3.88Å; W540-V659 HydrophobicContact CH2-CB 3.62Å; W540-V659 HydrophobicContact CH2-CG1 3.82Å; W540-V659 HydrophobicContact CH2-CG2 4.48Å; W540-V659 HydrophobicContact CZ2-CB 4.01Å; W540-V659 HydrophobicContact CZ3-CB 3.53Å; W540-V659 HydrophobicContact CZ3-CG1 3.87Å; W540-V659 HydrophobicContact CZ3-CG2 3.9Å; W540-G660 VanDerWaalsContact CD1-CA 3.48Å; W540-G660 VanDerWaalsContact NE1-CA 3.27Å; W540-D663 PolarHBondContact NE1-OD2 2.89Å
541	K	95.4	Very high	93.5	Very high	92 Å²	92	49.2 Å²	49.2	40%	0.4	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.8	176.4	-75.5	161.7	60.8	-168.6	0	114.4	V537 D538 M539 L551 R552	V537-K541 HydrophobicContact CG1-CD 3.88Å; V537-K541 HydrophobicContact CG1-CG 4.47Å; V537-K541 WeakPolarHBondContact O-CB 3.26Å; V537-K541 VanDerWaalsContact O-CG 3.32Å; V537-K541 WeakPolarHBondContact O-CG 3.21Å; V537-K541 PolarHBondContact O-N 2.95Å; D538-K541 WeakPolarHBondContact OD1-CE 3.15Å; D538-K541 IonicContact OD1-NZ 2.71Å; D538-K541 PolarHBondContact OD1-NZ 3.09Å; M539-K541 VanDerWaalsContact C-N 3.34Å; M539-K541 PolarHBondContact O-N 3.32Å; K541-L551 WeakPolarHBondContact CG-O 3.31Å; K541-R552 WeakPolarHBondContact CD-O 3.32Å; K541-R552 VanDerWaalsContact CE-O 3.3Å; K541-R552 WeakPolarHBondContact CE-O 3.44Å; K541-R552 WeakPolarHBondContact CG-O 3.42Å
542	K	95.3	Very high	93.9	Very high	168 Å²	168	49.1 Å²	49.1	73%	0.73	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-11.2	175.4	-63.9	165.6	-173.5	168	0	112.9	D538 M539 W540	D538-K542 VanDerWaalsContact O-CD 3.29Å; D538-K542 WeakPolarHBondContact O-CD 3.26Å; D538-K542 WeakPolarHBondContact O-CE 3.24Å; D538-K542 WeakPolarHBondContact O-CG 3.4Å; M539-K542 WeakPolarHBondContact O-CB 3.48Å; M539-K542 PolarHBondContact O-N 3.22Å; M539-K542 VanDerWaalsContact O-N 3.08Å; W540-K542 PolarHBondContact O-N 2.98Å; W540-K542 VanDerWaalsContact O-N 3.13Å
543	I	95.6	Very high	94.3	Very high	13 Å²	13	48 Å²	48	7%	0.067	23%	0.234	C	C	.	.			trans	-86.7	114.9	-178.7	-63.3	-178.3	0	0	0	109.9	W540 I548 T630 A634 L636	W540-I543 HydrophobicContact CE3-CD1 3.84Å; W540-I543 HydrophobicContact CZ3-CD1 3.93Å; W540-I543 PolarHBondContact O-N 2.96Å; I543-I548 HydrophobicContact CG2-CD1 3.81Å; I543-T630 HydrophobicContact CG2-CG2 4.07Å; I543-A634 HydrophobicContact CD1-CB 3.63Å; I543-A634 HydrophobicContact CG1-CB 4.08Å; I543-L636 HydrophobicContact CD1-CD1 3.74Å
544	Q	94.4	Very high	94.8	Very high	165 Å²	165	48.6 Å²	48.6	77%	0.771	24%	0.238	S	C	*	.			trans	-118.1	121.8	171.1	-168.7	176.7	14.1	0	0	109.2
545	H	95.8	Very high	95	Very high	40 Å²	40	47.2 Å²	47.2	19%	0.185	23%	0.23	C	C	.	.			trans	-151.7	146.7	-179.8	-173.4	-90.7	0	0	0	111	N547 I548 S626 A627 T630	H545-N547 WeakPolarHBondContact CE1-CB 3.31Å; H545-N547 PolarHBondContact CE1-OD1 2.92Å; H545-N547 PolarHBondContact ND1-N 3.34Å; H545-N547 PolarHBondContact O-N 3.44Å; H545-I548 HydrophobicContact CB-CB 4.18Å; H545-I548 HydrophobicContact CB-CD1 3.77Å; H545-I548 HydrophobicContact CB-CG1 3.92Å; H545-I548 PolarHBondContact O-N 2.89Å; H545-S626 WeakPolarHBondContact CE1-CB 3.49Å; H545-S626 PolarHBondContact CE1-OG 3.23Å; H545-S626 VanDerWaalsContact NE2-C 3.26Å; H545-S626 WeakPolarHBondContact NE2-CB 3.28Å; H545-S626 PolarHBondContact NE2-O 3.44Å; H545-S626 PolarHBondContact NE2-OG 2.95Å; H545-A627 PolarHBondContact CE1-N 3.35Å; H545-T630 HydrophobicContact CB-CG2 4.47Å; H545-T630 PolarHBondContact CD2-OG1 2.78Å; H545-T630 VanDerWaalsContact CD2-OG1 3.31Å
546	S	93.7	Very high	95.1	Very high	65 Å²	65	46.9 Å²	46.9	46%	0.455	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.7	-175.4	57.1	0	0	0	0	114.3	R653	S546-R653 PolarHBondContact O-NE 3.44Å; S546-R653 PolarHBondContact O-NH2 3.32Å
547	N	96.3	Very high	95.2	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.059	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	20.2	-179.5	-56.6	117.1	0	0	0	113.3	H545 Q623 A627 L654 R655 V656	H545-N547 WeakPolarHBondContact CE1-CB 3.31Å; H545-N547 PolarHBondContact CE1-OD1 2.92Å; H545-N547 PolarHBondContact ND1-N 3.34Å; H545-N547 PolarHBondContact O-N 3.44Å; N547-Q623 PolarHBondContact ND2-OE1 3.02Å; N547-A627 HydrophobicContact CB-CB 4.18Å; N547-L654 WeakPolarHBondContact CA-O 3.38Å; N547-L654 PolarHBondContact ND2-O 2.54Å; N547-R655 CarbonylContact O-C 3.59Å; N547-R655 VanDerWaalsContact O-CA 3.26Å; N547-R655 WeakPolarHBondContact O-CA 3.46Å; N547-V656 PolarHBondContact O-N 3.45Å
548	I	96.8	Very high	95.1	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-123.2	142.2	171.3	-58.8	175.4	0	0	0	108.2	I543 H545 A627 I631 V659	I543-I548 HydrophobicContact CG2-CD1 3.81Å; H545-I548 HydrophobicContact CB-CB 4.18Å; H545-I548 HydrophobicContact CB-CD1 3.77Å; H545-I548 HydrophobicContact CB-CG1 3.92Å; H545-I548 PolarHBondContact O-N 2.89Å; I548-A627 HydrophobicContact CD1-CB 4.29Å; I548-A627 HydrophobicContact CG1-CB 3.88Å; I548-I631 HydrophobicContact CD1-CD1 3.74Å; I548-I631 HydrophobicContact CD1-CG1 3.59Å; I548-I631 HydrophobicContact CG1-CD1 4.43Å; I548-V659 HydrophobicContact CG2-CG1 4.17Å; I548-V659 HydrophobicContact CG2-CG2 3.97Å
549	V	96.3	Very high	94.9	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.012	27%	0.268	C	S	.	.			trans	-84.9	113.3	167.1	-168.9	0	0	0	0	108	L551 Y569 D570 L647 R655 V656 N657	V549-L551 PolarHBondContact O-N 3.42Å; V549-Y569 HydrophobicContact CG1-CD1 4.38Å; V549-Y569 HydrophobicContact CG1-CG 4.48Å; V549-D570 HydrophobicContact CG1-CB 4.25Å; V549-D570 WeakPolarHBondContact CG1-O 3.46Å; V549-L647 HydrophobicContact CG2-CD1 4.28Å; V549-R655 HydrophobicContact CG2-CB 3.8Å; V549-V656 PolarHBondContact N-O 3.29Å; V549-N657 HydrophobicContact CB-CB 4.46Å; V549-N657 HydrophobicContact CG2-CB 3.86Å
550	T	95.6	Very high	94.5	Very high	12 Å²	12	53.1 Å²	53.1	7%	0.074	26%	0.261	C	S	.	.			trans	-60.3	129.3	-175.1	-37	0	0	0	0	111.3	Y569 D570	T550-Y569 WeakPolarHBondContact O-CA 3.34Å; T550-D570 WeakPolarHBondContact CB-OD2 3.35Å; T550-D570 PolarHBondContact O-N 3.48Å; T550-D570 VanDerWaalsContact O-N 3.16Å; T550-D570 PolarHBondContact OG1-OD2 3.11Å
551	L	96.6	Very high	94.1	Very high	2 Å²	2	58 Å²	58	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	127.7	166.7	-179.7	64	0	0	0	109	V537 W540 K541 V549 V554 F567 Y569	V537-L551 HydrophobicContact CG1-CD2 4.13Å; W540-L551 HydrophobicContact CB-CD2 3.91Å; K541-L551 WeakPolarHBondContact CG-O 3.31Å; V549-L551 PolarHBondContact O-N 3.42Å; L551-V554 HydrophobicContact CD1-CG2 3.83Å; L551-V554 HydrophobicContact CD2-CG2 3.91Å; L551-V554 HydrophobicContact CG-CG2 4.22Å; L551-F567 HydrophobicContact CD1-CB 4.08Å; L551-F567 HydrophobicContact CD1-CD1 4.02Å; L551-Y569 HydrophobicContact CB-CD1 4.18Å; L551-Y569 HydrophobicContact CB-CE1 3.85Å; L551-Y569 HydrophobicContact CD1-CD1 4.09Å; L551-Y569 HydrophobicContact CD1-CE1 3.62Å; L551-Y569 HydrophobicContact CD1-CE2 4.31Å; L551-Y569 HydrophobicContact CG-CE1 4.3Å
552	R	95.4	Very high	93.7	Very high	103 Å²	103	56.4 Å²	56.4	39%	0.389	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-49.4	-177.7	-62.2	-64.6	-178.8	177.4	-4.2	112.5	Y518 K541 A568 D570	Y518-R552 HydrophobicContact CD1-CG 4.3Å; Y518-R552 HydrophobicContact CE1-CG 3.89Å; K541-R552 WeakPolarHBondContact CD-O 3.32Å; K541-R552 VanDerWaalsContact CE-O 3.3Å; K541-R552 WeakPolarHBondContact CE-O 3.44Å; K541-R552 WeakPolarHBondContact CG-O 3.42Å; R552-A568 PolarHBondContact N-O 2.99Å; R552-D570 IonicContact CZ-OD1 3.93Å; R552-D570 VanDerWaalsContact CZ-OD1 3.26Å; R552-D570 IonicContact CZ-OD2 2.8Å; R552-D570 IonicContact NE-OD1 2.63Å; R552-D570 PolarHBondContact NE-OD1 3.36Å; R552-D570 IonicContact NE-OD2 2.76Å; R552-D570 VanDerWaalsContact NH2-CG 3.31Å; R552-D570 IonicContact NH2-OD1 3.74Å; R552-D570 PolarHBondContact NH2-OD1 2.91Å; R552-D570 IonicContact NH2-OD2 3.73Å; R552-D570 PolarHBondContact NH2-OD2 3.23Å
553	E	94.5	Very high	93.6	Very high	65 Å²	65	50.3 Å²	50.3	30%	0.304	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	150.7	-174.1	-163.1	161.1	-136	0	0	110.8	F555 A568	E553-F555 HydrophobicContact CG-CD1 4.2Å; E553-A568 HydrophobicContact CB-CB 4.13Å; E553-A568 PolarHBondContact N-O 3.3Å; E553-A568 PolarHBondContact O-N 3.33Å
554	V	95.9	Very high	93.4	Very high	12 Å²	12	49.7 Å²	49.7	7%	0.073	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	121.4	172.8	-179.1	0	0	0	0	107.5	M534 V537 L551 L565 V566 F567	M534-V554 HydrophobicContact CE-CB 4.36Å; V537-V554 HydrophobicContact CG1-CB 4.01Å; V537-V554 HydrophobicContact CG1-CG2 3.59Å; V537-V554 HydrophobicContact CG2-CB 4.4Å; V537-V554 HydrophobicContact CG2-CG2 4.08Å; L551-V554 HydrophobicContact CD1-CG2 3.83Å; L551-V554 HydrophobicContact CD2-CG2 3.91Å; L551-V554 HydrophobicContact CG-CG2 4.22Å; V554-L565 HydrophobicContact CG1-CD1 3.8Å; V554-L565 HydrophobicContact CG1-CG 4.42Å; V554-V566 WeakPolarHBondContact CA-O 3.5Å; V554-F567 HydrophobicContact CB-CD1 4.43Å; V554-F567 HydrophobicContact CG1-CD1 4.12Å; V554-F567 HydrophobicContact CG1-CE1 4.02Å; V554-F567 HydrophobicContact CG1-CG 4.48Å; V554-F567 HydrophobicContact CG1-CZ 4.32Å; V554-F567 HydrophobicContact CG2-CD1 3.46Å; V554-F567 VanDerWaalsContact CG2-CD1 3.46Å; V554-F567 HydrophobicContact CG2-CE1 3.88Å; V554-F567 HydrophobicContact CG2-CG 4.19Å
555	F	94.6	Very high	93.5	Very high	22 Å²	22	41.9 Å²	41.9	10%	0.096	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	156.6	-174.5	65.5	-88	0	0	0	111.8	V476 D477 Y479 E553 T557 V566	V476-F555 HydrophobicContact CG1-CE2 3.82Å; V476-F555 HydrophobicContact CG1-CZ 4.01Å; D477-F555 HydrophobicContact CB-CD2 3.99Å; D477-F555 HydrophobicContact CB-CE2 3.63Å; D477-F555 HydrophobicContact CB-CZ 4.06Å; Y479-F555 HydrophobicContact CD2-CE1 4.08Å; Y479-F555 HydrophobicContact CD2-CZ 4.05Å; Y479-F555 AromaticContact CE2-CE1 3.8Å; Y479-F555 HydrophobicContact CE2-CE1 3.8Å; Y479-F555 HydrophobicContact CE2-CZ 4.25Å; E553-F555 HydrophobicContact CG-CD1 4.2Å; F555-T557 HydrophobicContact CE2-CG2 4.41Å; F555-V566 HydrophobicContact CD1-CB 4.34Å; F555-V566 HydrophobicContact CD2-CB 4.38Å; F555-V566 HydrophobicContact CE1-CB 3.92Å; F555-V566 HydrophobicContact CE1-CG1 3.75Å; F555-V566 HydrophobicContact CE2-CB 3.96Å; F555-V566 HydrophobicContact CE2-CG1 4.37Å; F555-V566 HydrophobicContact CE2-CG2 4.22Å; F555-V566 HydrophobicContact CZ-CB 3.72Å; F555-V566 HydrophobicContact CZ-CG1 3.65Å; F555-V566 HydrophobicContact CZ-CG2 4.29Å; F555-V566 PolarHBondContact N-O 2.93Å; F555-V566 PolarHBondContact O-N 3.11Å
556	T	94.1	Very high	93.5	Very high	81 Å²	81	40 Å²	40	50%	0.497	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.6	174.6	55.5	0	0	0	0	110.7	L528 S564 L565	L528-T556 HydrophobicContact CB-CG2 3.71Å; L528-T556 HydrophobicContact CD2-CG2 4.36Å; T556-S564 CarbonylContact C-O 3.48Å; T556-S564 WeakPolarHBondContact CA-O 3.47Å; T556-L565 HydrophobicContact CG2-CD1 3.82Å
557	T	93.6	Very high	93.6	Very high	19 Å²	19	37 Å²	37	12%	0.117	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	161.6	-178.5	-173.3	0	0	0	0	112.1	V476 F555 A559 F560 S564 V566	V476-T557 HydrophobicContact CG1-CG2 3.97Å; F555-T557 HydrophobicContact CE2-CG2 4.41Å; T557-A559 WeakPolarHBondContact OG1-CB 3.23Å; T557-A559 PolarHBondContact OG1-N 3.49Å; T557-A559 VanDerWaalsContact OG1-N 3.11Å; T557-F560 HydrophobicContact CG2-CD2 3.88Å; T557-F560 HydrophobicContact CG2-CE2 4.06Å; T557-S564 PolarHBondContact N-O 3.32Å; T557-S564 PolarHBondContact O-N 2.98Å; T557-V566 HydrophobicContact CG2-CG2 3.84Å
558	K	92.1	Very high	93.7	Very high	171 Å²	171	36.4 Å²	36.4	74%	0.743	20%	0.201	S	C	*	.			trans	-120.6	5.8	169.2	-61.9	178	-176.2	172.8	0	112.4	F560 A561	K558-F560 PolarHBondContact O-N 3.41Å; K558-A561 WeakPolarHBondContact O-CA 3.36Å; K558-A561 PolarHBondContact O-N 3.39Å
559	A	89.4	Confident	93.7	Very high	46 Å²	46	36.2 Å²	36.2	38%	0.38	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.4	-177	0	0	0	0	0	112.9	P473 V476 T557 A561	P473-A559 HydrophobicContact CB-CB 4.3Å; P473-A559 HydrophobicContact CG-CB 4.31Å; V476-A559 HydrophobicContact CG2-CB 4.09Å; T557-A559 WeakPolarHBondContact OG1-CB 3.23Å; T557-A559 PolarHBondContact OG1-N 3.49Å; T557-A559 VanDerWaalsContact OG1-N 3.11Å; A559-A561 PolarHBondContact O-N 2.95Å; A559-A561 VanDerWaalsContact O-N 3.14Å
560	F	87.8	Confident	93.6	Very high	18 Å²	18	37.4 Å²	37.4	8%	0.079	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	26.9	173.9	-58.8	-85.1	0	0	0	113.8	P473 V476 L482 Y507 R522 T557 K558 E562 V566	P473-F560 VanDerWaalsContact CD-CE1 3.46Å; P473-F560 HydrophobicContact CG-CD1 3.56Å; P473-F560 HydrophobicContact CG-CE1 3.62Å; P473-F560 HydrophobicContact CG-CG 4.06Å; P473-F560 HydrophobicContact CG-CZ 4.16Å; V476-F560 HydrophobicContact CG1-CE2 3.89Å; V476-F560 HydrophobicContact CG1-CZ 4.44Å; V476-F560 HydrophobicContact CG2-CE1 4.46Å; V476-F560 HydrophobicContact CG2-CE2 3.87Å; V476-F560 HydrophobicContact CG2-CZ 3.8Å; L482-F560 HydrophobicContact CD2-CE1 4.07Å; L482-F560 HydrophobicContact CD2-CZ 3.83Å; Y507-F560 HydrophobicContact CD2-CZ 4.36Å; Y507-F560 HydrophobicContact CE1-CE1 4.4Å; Y507-F560 AromaticContact CE2-CE1 3.89Å; Y507-F560 HydrophobicContact CE2-CE1 3.89Å; Y507-F560 AromaticContact CE2-CZ 3.92Å; Y507-F560 HydrophobicContact CE2-CZ 3.92Å; Y507-F560 AromaticContact CZ-CE1 3.78Å; R522-F560 HydrophobicContact CG-CE2 4.39Å; R522-F560 VanDerWaalsContact CZ-CB 3.4Å; T557-F560 HydrophobicContact CG2-CD2 3.88Å; T557-F560 HydrophobicContact CG2-CE2 4.06Å; K558-F560 PolarHBondContact O-N 3.41Å; F560-E562 PolarHBondContact O-N 3.46Å; F560-V566 HydrophobicContact CE2-CG2 4.31Å
561	A	86.9	Confident	93.6	Very high	105 Å²	105	38.2 Å²	38.2	87%	0.868	21%	0.209	S	C	*	.	S	Bend	trans	59.8	-20.4	-172.8	0	0	0	0	0	117.2	K558 A559	K558-A561 WeakPolarHBondContact O-CA 3.36Å; K558-A561 PolarHBondContact O-N 3.39Å; A559-A561 PolarHBondContact O-N 2.95Å; A559-A561 VanDerWaalsContact O-N 3.14Å
562	E	88.3	Confident	93.4	Very high	60 Å²	60	40.3 Å²	40.3	28%	0.28	22%	0.218	S	C	.	.	S	Bend	trans	-114.3	155.4	174.4	54.5	139.5	-127.1	0	0	112.3	R522 H524 G525 F560 S564	R522-E562 IonicContact CZ-OE1 2.69Å; R522-E562 IonicContact NE-OE1 3.18Å; R522-E562 VanDerWaalsContact NH2-CG 3.28Å; R522-E562 IonicContact NH2-OE1 3.47Å; R522-E562 PolarHBondContact NH2-OE1 2.83Å; H524-E562 WeakPolarHBondContact CA-OE1 3.26Å; H524-E562 WeakPolarHBondContact CB-OE1 3.42Å; H524-E562 IonicContact CG-OE1 3.31Å; G525-E562 PolarHBondContact N-OE1 3.23Å; G525-E562 PolarHBondContact N-OE2 3.18Å; F560-E562 PolarHBondContact O-N 3.46Å; E562-S564 PolarHBondContact O-N 2.84Å; E562-S564 PolarHBondContact OE1-OG 3.45Å
563	P	91.4	Very high	93.1	Very high	39 Å²	39	36 Å²	36	25%	0.253	21%	0.205	S	C	.	.			trans	-62.9	118.3	172	26.7	-34.3	0	0	0	110.3	G525 F526 R527	G525-P563 CarbonylContact C-O 3.57Å; G525-P563 WeakPolarHBondContact CA-O 3.36Å; G525-P563 PolarHBondContact N-O 3.44Å; F526-P563 PolarHBondContact N-O 3.39Å; R527-P563 HydrophobicContact CG-CB 3.97Å; R527-P563 HydrophobicContact CG-CG 4Å
564	S	93.1	Very high	92.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148	-179.4	-76.1	0	0	0	0	110.8	R522 I523 T556 T557 E562	R522-S564 PolarHBondContact NE-OG 2.79Å; I523-S564 WeakPolarHBondContact O-CA 3.25Å; T556-S564 CarbonylContact C-O 3.48Å; T556-S564 WeakPolarHBondContact CA-O 3.47Å; T557-S564 PolarHBondContact N-O 3.32Å; T557-S564 PolarHBondContact O-N 2.98Å; E562-S564 PolarHBondContact O-N 2.84Å; E562-S564 PolarHBondContact OE1-OG 3.45Å
565	L	94.8	Very high	92.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.4	166.6	-180	70	0	0	0	108.6	R522 I523 F526 V554 T556 F567 V664 L665	R522-L565 CarbonylContact C-O 3.18Å; R522-L565 WeakPolarHBondContact CA-O 3.19Å; I523-L565 HydrophobicContact CB-CB 4.3Å; I523-L565 PolarHBondContact N-O 2.91Å; I523-L565 PolarHBondContact O-N 3.45Å; I523-L565 VanDerWaalsContact O-N 3.16Å; F526-L565 HydrophobicContact CB-CB 4.13Å; F526-L565 HydrophobicContact CD1-CB 3.77Å; F526-L565 HydrophobicContact CD1-CD2 3.74Å; F526-L565 HydrophobicContact CD1-CG 4.31Å; F526-L565 HydrophobicContact CE1-CD2 3.83Å; F526-L565 HydrophobicContact CG-CB 4.25Å; F526-L565 HydrophobicContact CG-CD2 4.43Å; V554-L565 HydrophobicContact CG1-CD1 3.8Å; V554-L565 HydrophobicContact CG1-CG 4.42Å; T556-L565 HydrophobicContact CG2-CD1 3.82Å; L565-F567 HydrophobicContact CD2-CE2 3.51Å; L565-F567 HydrophobicContact CD2-CZ 3.73Å; L565-F567 HydrophobicContact CG-CD2 4.41Å; L565-F567 HydrophobicContact CG-CE2 3.8Å; L565-F567 HydrophobicContact CG-CZ 4.34Å; L565-V664 HydrophobicContact CD2-CG1 3.74Å; L565-L665 HydrophobicContact CD2-CD2 4.07Å
566	V	96.3	Very high	92.1	Very high	1 Å²	1	39 Å²	39	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.2	-178.9	-179.1	0	0	0	0	109.6	L520 R521 R522 V554 F555 T557 F560	L520-V566 HydrophobicContact CB-CG1 3.95Å; L520-V566 HydrophobicContact CD2-CG1 4.07Å; L520-V566 HydrophobicContact CG-CG1 4.4Å; R521-V566 WeakPolarHBondContact O-CA 3.49Å; R522-V566 HydrophobicContact CB-CG2 4.45Å; V554-V566 WeakPolarHBondContact CA-O 3.5Å; F555-V566 HydrophobicContact CD1-CB 4.34Å; F555-V566 HydrophobicContact CD2-CB 4.38Å; F555-V566 HydrophobicContact CE1-CB 3.92Å; F555-V566 HydrophobicContact CE1-CG1 3.75Å; F555-V566 HydrophobicContact CE2-CB 3.96Å; F555-V566 HydrophobicContact CE2-CG1 4.37Å; F555-V566 HydrophobicContact CE2-CG2 4.22Å; F555-V566 HydrophobicContact CZ-CB 3.72Å; F555-V566 HydrophobicContact CZ-CG1 3.65Å; F555-V566 HydrophobicContact CZ-CG2 4.29Å; F555-V566 PolarHBondContact N-O 2.93Å; F555-V566 PolarHBondContact O-N 3.11Å; T557-V566 HydrophobicContact CG2-CG2 3.84Å; F560-V566 HydrophobicContact CE2-CG2 4.31Å
567	F	96.9	Very high	92	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.7	171	-63	-106.4	0	0	0	108.3	L520 R521 I523 L551 V554 L565 Y569 V661 V664	L520-F567 WeakPolarHBondContact CA-O 3.23Å; R521-F567 PolarHBondContact N-O 2.85Å; R521-F567 PolarHBondContact O-N 2.91Å; I523-F567 HydrophobicContact CD1-CE2 4.37Å; I523-F567 HydrophobicContact CG1-CD2 4.21Å; I523-F567 HydrophobicContact CG1-CE2 3.8Å; L551-F567 HydrophobicContact CD1-CB 4.08Å; L551-F567 HydrophobicContact CD1-CD1 4.02Å; V554-F567 HydrophobicContact CB-CD1 4.43Å; V554-F567 HydrophobicContact CG1-CD1 4.12Å; V554-F567 HydrophobicContact CG1-CE1 4.02Å; V554-F567 HydrophobicContact CG1-CG 4.48Å; V554-F567 HydrophobicContact CG1-CZ 4.32Å; V554-F567 HydrophobicContact CG2-CD1 3.46Å; V554-F567 VanDerWaalsContact CG2-CD1 3.46Å; V554-F567 HydrophobicContact CG2-CE1 3.88Å; V554-F567 HydrophobicContact CG2-CG 4.19Å; L565-F567 HydrophobicContact CD2-CE2 3.51Å; L565-F567 HydrophobicContact CD2-CZ 3.73Å; L565-F567 HydrophobicContact CG-CD2 4.41Å; L565-F567 HydrophobicContact CG-CE2 3.8Å; L565-F567 HydrophobicContact CG-CZ 4.34Å; F567-Y569 HydrophobicContact CB-CD2 4.15Å; F567-Y569 HydrophobicContact CB-CE2 3.42Å; F567-Y569 VanDerWaalsContact CB-CE2 3.42Å; F567-Y569 HydrophobicContact CG-CE2 4.34Å; F567-V661 HydrophobicContact CD1-CG2 4.1Å; F567-V661 HydrophobicContact CD2-CG2 4.25Å; F567-V661 HydrophobicContact CE1-CB 4.44Å; F567-V661 HydrophobicContact CE1-CG2 4.08Å; F567-V661 HydrophobicContact CE2-CG1 4.4Å; F567-V661 HydrophobicContact CE2-CG2 4.21Å; F567-V661 HydrophobicContact CG-CG2 4.21Å; F567-V661 HydrophobicContact CZ-CB 4.29Å; F567-V661 HydrophobicContact CZ-CG1 4.34Å; F567-V661 HydrophobicContact CZ-CG2 4.13Å; F567-V664 HydrophobicContact CE1-CB 4.39Å; F567-V664 HydrophobicContact CE1-CG2 4.12Å; F567-V664 HydrophobicContact CZ-CB 4.04Å; F567-V664 HydrophobicContact CZ-CG1 4.45Å; F567-V664 HydrophobicContact CZ-CG2 4.26Å
568	A	97.1	Very high	92	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.2	176.1	0	0	0	0	0	110.6	Y479 L520 R552 E553	Y479-A568 HydrophobicContact CE2-CB 4.34Å; Y479-A568 VanDerWaalsContact OH-CB 3.3Å; Y479-A568 WeakPolarHBondContact OH-CB 3.18Å; L520-A568 HydrophobicContact CD2-CB 3.66Å; R552-A568 PolarHBondContact N-O 2.99Å; E553-A568 HydrophobicContact CB-CB 4.13Å; E553-A568 PolarHBondContact N-O 3.3Å; E553-A568 PolarHBondContact O-N 3.33Å
569	Y	96.8	Very high	92	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	156.3	-179.6	-67.2	-81.5	0	0	0	111.6	Y518 C519 R521 V549 T550 L551 F567 F571 C658 V659 V661	Y518-Y569 WeakPolarHBondContact CD1-O 3.44Å; C519-Y569 PolarHBondContact N-O 3.24Å; C519-Y569 PolarHBondContact O-N 2.87Å; R521-Y569 HydrophobicContact CB-CE2 4.3Å; V549-Y569 HydrophobicContact CG1-CD1 4.38Å; V549-Y569 HydrophobicContact CG1-CG 4.48Å; T550-Y569 WeakPolarHBondContact O-CA 3.34Å; L551-Y569 HydrophobicContact CB-CD1 4.18Å; L551-Y569 HydrophobicContact CB-CE1 3.85Å; L551-Y569 HydrophobicContact CD1-CD1 4.09Å; L551-Y569 HydrophobicContact CD1-CE1 3.62Å; L551-Y569 HydrophobicContact CD1-CE2 4.31Å; L551-Y569 HydrophobicContact CG-CE1 4.3Å; F567-Y569 HydrophobicContact CB-CD2 4.15Å; F567-Y569 HydrophobicContact CB-CE2 3.42Å; F567-Y569 VanDerWaalsContact CB-CE2 3.42Å; F567-Y569 HydrophobicContact CG-CE2 4.34Å; Y569-F571 PolarHBondContact O-N 2.97Å; Y569-C658 WeakPolarHBondContact OH-CA 3.35Å; Y569-V659 HydrophobicContact CE1-CG2 4.12Å; Y569-V659 PolarHBondContact OH-O 3.5Å; Y569-V661 VanDerWaalsContact OH-CG2 3.32Å; Y569-V661 WeakPolarHBondContact OH-CG2 3.41Å
570	D	95.3	Very high	92	Very high	28 Å²	28	31 Å²	31	15%	0.15	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	129.7	170.8	-73	-14.6	0	0	0	111.7	V549 T550 R552	V549-D570 HydrophobicContact CG1-CB 4.25Å; V549-D570 WeakPolarHBondContact CG1-O 3.46Å; T550-D570 WeakPolarHBondContact CB-OD2 3.35Å; T550-D570 PolarHBondContact O-N 3.48Å; T550-D570 VanDerWaalsContact O-N 3.16Å; T550-D570 PolarHBondContact OG1-OD2 3.11Å; R552-D570 IonicContact CZ-OD1 3.93Å; R552-D570 VanDerWaalsContact CZ-OD1 3.26Å; R552-D570 IonicContact CZ-OD2 2.8Å; R552-D570 IonicContact NE-OD1 2.63Å; R552-D570 PolarHBondContact NE-OD1 3.36Å; R552-D570 IonicContact NE-OD2 2.76Å; R552-D570 VanDerWaalsContact NH2-CG 3.31Å; R552-D570 IonicContact NH2-OD1 3.74Å; R552-D570 PolarHBondContact NH2-OD1 2.91Å; R552-D570 IonicContact NH2-OD2 3.73Å; R552-D570 PolarHBondContact NH2-OD2 3.23Å
571	F	94.6	Very high	92	Very high	28 Å²	28	36 Å²	36	12%	0.123	21%	0.213	C	C	.	.			trans	-77.5	137.2	177.9	-173.9	-117.7	0	0	0	112.1	I459 L485 K508 P517 C519 Y569 A573	I459-F571 HydrophobicContact CG2-CE1 4.44Å; I459-F571 HydrophobicContact CG2-CZ 3.97Å; L485-F571 HydrophobicContact CD1-CD2 4.34Å; L485-F571 HydrophobicContact CD1-CE2 3.82Å; L485-F571 HydrophobicContact CD2-CE2 3.94Å; L485-F571 HydrophobicContact CD2-CZ 4.34Å; K508-F571 HydrophobicContact CB-CD2 4.36Å; K508-F571 HydrophobicContact CB-CE2 3.96Å; K508-F571 HydrophobicContact CB-CZ 4.23Å; K508-F571 HydrophobicContact CD-CD1 4.28Å; K508-F571 HydrophobicContact CD-CE1 3.68Å; K508-F571 HydrophobicContact CD-CE2 4.2Å; K508-F571 HydrophobicContact CD-CZ 3.64Å; K508-F571 HydrophobicContact CG-CD1 4.41Å; K508-F571 HydrophobicContact CG-CD2 4.26Å; K508-F571 HydrophobicContact CG-CE1 4.19Å; K508-F571 HydrophobicContact CG-CE2 4.06Å; K508-F571 HydrophobicContact CG-CG 4.45Å; K508-F571 HydrophobicContact CG-CZ 4.02Å; P517-F571 HydrophobicContact CB-CB 4.09Å; P517-F571 HydrophobicContact CB-CD1 3.93Å; P517-F571 HydrophobicContact CB-CG 4.29Å; P517-F571 HydrophobicContact CG-CB 4.41Å; P517-F571 HydrophobicContact CG-CD1 4.25Å; P517-F571 WeakPolarHBondContact O-CB 3.1Å; C519-F571 HydrophobicContact CB-CD2 4.28Å; Y569-F571 PolarHBondContact O-N 2.97Å; F571-A573 HydrophobicContact CD1-CB 4.48Å; F571-A573 HydrophobicContact CE1-CB 3.77Å; F571-A573 HydrophobicContact CZ-CB 4.27Å
572	H	92.8	Very high	92.2	Very high	46 Å²	46	31.9 Å²	31.9	21%	0.213	18%	0.176	C	C	.	.			trans	-132.3	90.6	178.4	-64.4	-24.8	0	0	0	110.2	G575 T649 R655	H572-G575 PolarHBondContact O-N 2.83Å; H572-T649 HydrophobicContact CB-CG2 4.4Å; H572-R655 WeakPolarHBondContact CD2-CD 3.48Å; H572-R655 PolarHBondContact CD2-NE 2.79Å; H572-R655 VanDerWaalsContact CD2-NE 3.31Å; H572-R655 WeakPolarHBondContact NE2-CD 3.36Å; H572-R655 PolarHBondContact NE2-NE 2.88Å
573	A	87.9	Confident	92	Very high	14 Å²	14	30.3 Å²	30.3	12%	0.116	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	138.5	178.2	0	0	0	0	0	112.2	R456 I459 F571 G575	R456-A573 HydrophobicContact CB-CB 3.96Å; R456-A573 HydrophobicContact CG-CB 4.06Å; R456-A573 WeakPolarHBondContact O-CB 3.41Å; I459-A573 HydrophobicContact CB-CB 4.2Å; I459-A573 HydrophobicContact CG2-CB 3.9Å; F571-A573 HydrophobicContact CD1-CB 4.48Å; F571-A573 HydrophobicContact CE1-CB 3.77Å; F571-A573 HydrophobicContact CZ-CB 4.27Å; A573-G575 VanDerWaalsContact C-N 3.29Å; A573-G575 PolarHBondContact O-N 2.8Å
574	G	84.1	Confident	91.4	Very high	34 Å²	34	34 Å²	34	35%	0.351	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	28.1	-177.1	0	0	0	0	0	114.2
575	G	89.3	Confident	90.3	Very high	27 Å²	27	37.7 Å²	37.7	28%	0.278	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	109.7	172	0	0	0	0	0	111.9	H572 A573 I648	H572-G575 PolarHBondContact O-N 2.83Å; A573-G575 VanDerWaalsContact C-N 3.29Å; A573-G575 PolarHBondContact O-N 2.8Å; G575-I648 WeakPolarHBondContact CA-O 3.33Å
576	E	90.9	Very high	88.7	Confident	99 Å²	99	42.5 Å²	42.5	46%	0.463	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	155.5	174.4	-65.1	-178.8	173.1	0	0	110.8	R581 L647 I648	E576-R581 WeakPolarHBondContact OE2-CD 3.48Å; E576-L647 CarbonylContact O-C 3.54Å; E576-L647 VanDerWaalsContact O-CA 3.26Å; E576-L647 WeakPolarHBondContact O-CA 3.25Å; E576-I648 PolarHBondContact N-O 2.9Å; E576-I648 PolarHBondContact O-N 3.23Å
577	T	93.3	Very high	87.1	Confident	43 Å²	43	48.4 Å²	48.4	26%	0.264	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	147.9	169.6	56.6	0	0	0	0	110.7	M579 S580 R581 I646 L647	T577-M579 PolarHBondContact O-N 3.12Å; T577-S580 PolarHBondContact O-N 2.94Å; T577-S580 WeakPolarHBondContact OG1-CB 3.14Å; T577-S580 PolarHBondContact OG1-N 3.35Å; T577-S580 VanDerWaalsContact OG1-N 3.1Å; T577-R581 WeakPolarHBondContact O-CB 3.14Å; T577-R581 PolarHBondContact O-N 3.1Å; T577-I646 CarbonylContact C-O 3.5Å; T577-I646 WeakPolarHBondContact CA-O 3.37Å; T577-L647 HydrophobicContact CG2-CD2 4Å
578	M	93.6	Very high	85.3	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.5	-33.3	171.7	177.6	178.8	-83.9	0	0	111.5	R581 H582 F583 Y620 P643 I646 I648 L654 V693 L697	M578-R581 PolarHBondContact O-N 3.11Å; M578-H582 PolarHBondContact O-N 3.15Å; M578-F583 HydrophobicContact CG-CE2 4.34Å; M578-Y620 HydrophobicContact CE-CD2 3.81Å; M578-Y620 HydrophobicContact CE-CE2 4.1Å; M578-Y620 HydrophobicContact CE-CG 4.23Å; M578-P643 HydrophobicContact CB-CB 4.29Å; M578-P643 HydrophobicContact CG-CB 4.19Å; M578-P643 PolarHBondContact N-O 3.29Å; M578-P643 HydrophobicContact SD-CB 4.44Å; M578-I646 HydrophobicContact CB-CB 4.1Å; M578-I646 HydrophobicContact CB-CG2 4.27Å; M578-I646 HydrophobicContact CE-CD1 4.36Å; M578-I646 HydrophobicContact CE-CG2 3.83Å; M578-I646 PolarHBondContact N-O 3.26Å; M578-I646 HydrophobicContact SD-CB 4.38Å; M578-I646 HydrophobicContact SD-CD1 3.89Å; M578-I646 HydrophobicContact SD-CG2 4.34Å; M578-I648 HydrophobicContact CB-CD1 3.97Å; M578-I648 HydrophobicContact CB-CG1 4.21Å; M578-I648 HydrophobicContact CE-CD1 4.37Å; M578-I648 HydrophobicContact CG-CD1 4.2Å; M578-L654 HydrophobicContact CE-CD1 3.92Å; M578-L654 HydrophobicContact CE-CD2 3.86Å; M578-V693 HydrophobicContact SD-CG1 3.85Å; M578-L697 HydrophobicContact CE-CD1 4.14Å; M578-L697 HydrophobicContact CE-CD2 4.49Å; M578-L697 HydrophobicContact CG-CD2 4.27Å; M578-L697 HydrophobicContact SD-CD1 4.04Å; M578-L697 HydrophobicContact SD-CD2 4.09Å; M578-L697 HydrophobicContact SD-CG 4.35Å
579	M	90.6	Very high	83.5	Confident	52 Å²	52	51.9 Å²	51.9	26%	0.256	29%	0.289	S	S	.	.	H	α-helix	trans	-53.4	-59.7	166.9	-176.5	67.3	-164.4	0	0	111.8	T577 R581 F583 P643 T644 L702	T577-M579 PolarHBondContact O-N 3.12Å; M579-R581 VanDerWaalsContact C-N 3.27Å; M579-R581 PolarHBondContact O-N 2.96Å; M579-F583 HydrophobicContact CE-CB 3.94Å; M579-F583 WeakPolarHBondContact O-CA 3.19Å; M579-F583 WeakPolarHBondContact O-CB 3.3Å; M579-F583 PolarHBondContact O-N 3.24Å; M579-F583 HydrophobicContact SD-CB 3.78Å; M579-F583 HydrophobicContact SD-CD2 4.49Å; M579-F583 HydrophobicContact SD-CG 4.36Å; M579-P643 HydrophobicContact CB-CB 4.34Å; M579-P643 PolarHBondContact N-O 3.1Å; M579-T644 HydrophobicContact CB-CG2 3.95Å; M579-T644 HydrophobicContact CG-CG2 3.98Å; M579-T644 HydrophobicContact SD-CG2 4.4Å; M579-L702 HydrophobicContact CE-CD1 3.86Å; M579-L702 HydrophobicContact SD-CD1 3.67Å; M579-L702 HydrophobicContact SD-CG 4.4Å
580	S	89.4	Confident	81.6	Confident	54 Å²	54	52.8 Å²	52.8	38%	0.378	30%	0.296	S	S	.	.	H	α-helix	trans	-60.6	-36	-179.1	-167.7	0	0	0	0	112.8	T577 N584	T577-S580 PolarHBondContact O-N 2.94Å; T577-S580 WeakPolarHBondContact OG1-CB 3.14Å; T577-S580 PolarHBondContact OG1-N 3.35Å; T577-S580 VanDerWaalsContact OG1-N 3.1Å; S580-N584 WeakPolarHBondContact O-CB 3.38Å
581	R	89.4	Confident	80.2	Confident	123 Å²	123	53.3 Å²	53.3	46%	0.464	30%	0.296	S	S	.	.	H	α-helix	trans	-76.3	-27.9	-170.5	-172.3	64.1	-172.3	80.7	-8.2	114.5	E576 T577 M578 M579 I648	E576-R581 WeakPolarHBondContact OE2-CD 3.48Å; T577-R581 WeakPolarHBondContact O-CB 3.14Å; T577-R581 PolarHBondContact O-N 3.1Å; M578-R581 PolarHBondContact O-N 3.11Å; M579-R581 VanDerWaalsContact C-N 3.27Å; M579-R581 PolarHBondContact O-N 2.96Å; R581-I648 HydrophobicContact CB-CD1 4.05Å; R581-I648 HydrophobicContact CG-CD1 4.03Å
582	H	89.4	Confident	79	Confident	20 Å²	20	52.1 Å²	52.1	9%	0.093	29%	0.291	C	S	.	.	H	α-helix	trans	-128.4	-36.1	-172.6	-57.8	-70.9	0	0	0	114.1	M578 Y620 N700	M578-H582 PolarHBondContact O-N 3.15Å; H582-Y620 PolarHBondContact CE1-OH 3.21Å; H582-Y620 AromaticContact NE2-CE2 3.57Å; H582-Y620 AromaticContact NE2-CZ 3.76Å; H582-Y620 PolarHBondContact NE2-OH 3.47Å; H582-Y620 VanDerWaalsContact NE2-OH 3.09Å; H582-N700 PolarHBondContact O-OD1 3.49Å
583	F	85.4	Confident	77.7	Confident	26 Å²	26	52.9 Å²	52.9	11%	0.114	30%	0.299	C	S	.	.	S	Bend	trans	-102.8	8.5	-169.8	-57.3	-87.8	0	0	0	114.1	M578 M579 P643 A696 L697 L702	M578-F583 HydrophobicContact CG-CE2 4.34Å; M579-F583 HydrophobicContact CE-CB 3.94Å; M579-F583 WeakPolarHBondContact O-CA 3.19Å; M579-F583 WeakPolarHBondContact O-CB 3.3Å; M579-F583 PolarHBondContact O-N 3.24Å; M579-F583 HydrophobicContact SD-CB 3.78Å; M579-F583 HydrophobicContact SD-CD2 4.49Å; M579-F583 HydrophobicContact SD-CG 4.36Å; F583-P643 HydrophobicContact CD2-CB 4.45Å; F583-P643 HydrophobicContact CE2-CB 4.18Å; F583-P643 HydrophobicContact CE2-CG 4.4Å; F583-A696 HydrophobicContact CE1-CB 3.91Å; F583-A696 WeakPolarHBondContact CE1-O 3.26Å; F583-A696 HydrophobicContact CZ-CB 3.84Å; F583-L697 HydrophobicContact CE2-CD2 4.13Å; F583-L697 HydrophobicContact CZ-CD2 4.13Å; F583-L697 HydrophobicContact CZ-CG 4.34Å; F583-L702 HydrophobicContact CD1-CD2 4.19Å; F583-L702 HydrophobicContact CD1-CG 4.1Å; F583-L702 HydrophobicContact CE1-CD2 4.15Å; F583-L702 HydrophobicContact CE1-CG 4.48Å; F583-L702 HydrophobicContact CG-CD2 4.5Å; F583-L702 HydrophobicContact CG-CG 4.44Å; F583-L702 HydrophobicContact CZ-CD2 4.43Å
584	N	78.3	Confident	76.3	Confident	117 Å²	117	60 Å²	60	63%	0.626	33%	0.328	S	S	*	.			trans	-95.5	-0	-175.6	-159.7	44.6	0	0	0	114.1	S580	S580-N584 WeakPolarHBondContact O-CB 3.38Å
585	D	69.6	Low	75	Confident	78 Å²	78	61.8 Å²	61.8	42%	0.417	32%	0.324	S	S	.	.			trans	-98.4	113.4	174	179.8	7.9	0	0	0	110.9	N587 A588	D585-N587 PolarHBondContact O-N 3.38Å; D585-N587 VanDerWaalsContact O-N 3.11Å; D585-N587 WeakPolarHBondContact OD1-CB 3.48Å; D585-N587 PolarHBondContact OD1-N 3.41Å; D585-N587 PolarHBondContact OD1-ND2 3.26Å; D585-A588 HydrophobicContact CB-CB 4.28Å; D585-A588 WeakPolarHBondContact O-CB 3.47Å; D585-A588 PolarHBondContact O-N 3.04Å
586	P	62.8	Low	73	Confident	102 Å²	102	68.8 Å²	68.8	66%	0.662	35%	0.347	S	S	*	.	H	α-helix	trans	-60.2	-18.4	175.9	-23.5	34.8	0	0	0	114.6	A590	P586-A590 PolarHBondContact O-N 2.88Å
587	N	60.8	Low	70.9	Confident	126 Å²	126	67.8 Å²	67.8	67%	0.674	34%	0.339	S	S	*	.	H	α-helix	trans	-80.4	-24.7	176.5	-56.7	-67.9	0	0	0	112.8	D585 A590	D585-N587 PolarHBondContact O-N 3.38Å; D585-N587 VanDerWaalsContact O-N 3.11Å; D585-N587 WeakPolarHBondContact OD1-CB 3.48Å; D585-N587 PolarHBondContact OD1-N 3.41Å; D585-N587 PolarHBondContact OD1-ND2 3.26Å; N587-A590 WeakPolarHBondContact O-CB 3.47Å
588	A	60.5	Low	68.5	Low	12 Å²	12	69.7 Å²	69.7	10%	0.099	37%	0.366	C	S	.	.	H	α-helix	trans	-70.7	-50.4	174	0	0	0	0	0	110.9	D585 A590 Y591	D585-A588 HydrophobicContact CB-CB 4.28Å; D585-A588 WeakPolarHBondContact O-CB 3.47Å; D585-A588 PolarHBondContact O-N 3.04Å; A588-A590 PolarHBondContact O-N 3.31Å; A588-A590 VanDerWaalsContact O-N 3.16Å; A588-Y591 WeakPolarHBondContact O-CB 3.33Å; A588-Y591 PolarHBondContact O-N 2.53Å
589	D	58.2	Low	66.2	Low	61 Å²	61	77.4 Å²	77.4	33%	0.326	40%	0.403	S	S	.	.	H	α-helix	trans	-60.6	-27.6	179.2	-174.4	59.7	0	0	0	112.8	Y591 F592 T593 S701	D589-Y591 PolarHBondContact O-N 3.45Å; D589-F592 PolarHBondContact O-N 2.8Å; D589-T593 PolarHBondContact O-N 2.86Å; D589-T593 PolarHBondContact O-OG1 2.79Å; D589-T593 WeakPolarHBondContact OD2-CG2 3.34Å; D589-S701 VanDerWaalsContact OD1-CB 3.24Å; D589-S701 WeakPolarHBondContact OD1-CB 3.49Å; D589-S701 PolarHBondContact OD1-OG 3.19Å
590	A	57.8	Low	64.1	Low	19 Å²	19	83.1 Å²	83.1	16%	0.157	43%	0.428	C	S	.	.	H	α-helix	trans	-57.4	-28.5	174.5	0	0	0	0	0	113.8	P586 N587 A588 T593 K594	P586-A590 PolarHBondContact O-N 2.88Å; N587-A590 WeakPolarHBondContact O-CB 3.47Å; A588-A590 PolarHBondContact O-N 3.31Å; A588-A590 VanDerWaalsContact O-N 3.16Å; A590-T593 WeakPolarHBondContact CA-OG1 3.35Å; A590-K594 HydrophobicContact CB-CD 3.88Å; A590-K594 HydrophobicContact CB-CG 4.3Å; A590-K594 VanDerWaalsContact O-CB 3.26Å; A590-K594 WeakPolarHBondContact O-CB 3.38Å; A590-K594 PolarHBondContact O-N 2.84Å
591	Y	65.6	Low	61.5	Low	39 Å²	39	88.7 Å²	88.7	15%	0.153	45%	0.454	C	S	.	.	H	α-helix	trans	-67.6	-44.3	178	-173.3	-98.4	0	0	0	112	A588 D589 R595 A609 L611 L716	A588-Y591 WeakPolarHBondContact O-CB 3.33Å; A588-Y591 PolarHBondContact O-N 2.53Å; D589-Y591 PolarHBondContact O-N 3.45Å; Y591-R595 VanDerWaalsContact CE2-NH2 3.29Å; Y591-R595 WeakPolarHBondContact O-CB 3.31Å; Y591-R595 PolarHBondContact OH-NH1 3Å; Y591-R595 PolarHBondContact OH-NH2 2.9Å; Y591-A609 HydrophobicContact CD2-CB 3.91Å; Y591-A609 VanDerWaalsContact CD2-O 3.25Å; Y591-A609 WeakPolarHBondContact CD2-O 3.39Å; Y591-A609 HydrophobicContact CE2-CB 3.35Å; Y591-A609 WeakPolarHBondContact CE2-O 3.47Å; Y591-L611 HydrophobicContact CD1-CD2 3.9Å; Y591-L611 HydrophobicContact CD1-CG 4.34Å; Y591-L611 HydrophobicContact CE1-CD1 4.01Å; Y591-L611 HydrophobicContact CE1-CD2 3.9Å; Y591-L611 HydrophobicContact CE1-CG 3.96Å; Y591-L716 HydrophobicContact CD1-CD1 4.36Å; Y591-L716 HydrophobicContact CE1-CD1 4.2Å
592	F	68.8	Low	59.7	Low	2 Å²	2	85 Å²	85	1%	0.009	45%	0.454	C	S	.	.	H	α-helix	trans	-74.7	-44.5	178.5	-175.6	-106.2	0	0	0	111.9	D589 C699 A703 N709 K712 A713 L716	D589-F592 PolarHBondContact O-N 2.8Å; F592-C699 HydrophobicContact CD2-CB 4.05Å; F592-C699 HydrophobicContact CE2-CB 4.39Å; F592-C699 HydrophobicContact CG-CB 4.49Å; F592-A703 HydrophobicContact CD1-CB 3.98Å; F592-A703 HydrophobicContact CE1-CB 3.96Å; F592-N709 HydrophobicContact CE1-CB 4.12Å; F592-N709 HydrophobicContact CZ-CB 4.08Å; F592-K712 HydrophobicContact CE2-CD 4.23Å; F592-K712 HydrophobicContact CE2-CG 4.28Å; F592-K712 HydrophobicContact CZ-CB 4.46Å; F592-K712 HydrophobicContact CZ-CD 4.17Å; F592-K712 HydrophobicContact CZ-CG 4.47Å; F592-K712 PolarHBondContact O-NZ 3.34Å; F592-A713 HydrophobicContact CE2-CB 4.11Å; F592-A713 HydrophobicContact CZ-CB 4.12Å; F592-L716 HydrophobicContact CD2-CD1 3.78Å; F592-L716 HydrophobicContact CE2-CD1 4.42Å
593	T	65.6	Low	57.4	Low	63 Å²	63	90.3 Å²	90.3	39%	0.387	49%	0.49	S	S	.	.	H	α-helix	trans	-76.6	-50	-173.7	55.1	0	0	0	0	112.9	D589 A590 A703	D589-T593 PolarHBondContact O-N 2.86Å; D589-T593 PolarHBondContact O-OG1 2.79Å; D589-T593 WeakPolarHBondContact OD2-CG2 3.34Å; A590-T593 WeakPolarHBondContact CA-OG1 3.35Å; T593-A703 HydrophobicContact CG2-CB 4.49Å
594	K	58.9	Low	55.4	Low	164 Å²	164	97 Å²	97	71%	0.713	53%	0.526	S	S	*	.	H	α-helix	trans	-85.6	-16.9	-169	-53.6	-178.1	-170.9	169.6	0	114.4	A590 K596	A590-K594 HydrophobicContact CB-CD 3.88Å; A590-K594 HydrophobicContact CB-CG 4.3Å; A590-K594 VanDerWaalsContact O-CB 3.26Å; A590-K594 WeakPolarHBondContact O-CB 3.38Å; A590-K594 PolarHBondContact O-N 2.84Å; K594-K596 PolarHBondContact O-N 3.42Å; K594-K596 VanDerWaalsContact O-N 3.09Å
595	R	56.1	Low	54	Low	71 Å²	71	95.1 Å²	95.1	27%	0.268	52%	0.521	S	S	.	.			trans	-68.5	109	174.5	-176.8	179.5	-85.5	179	-2.8	110.4	Y591 W597 K712	Y591-R595 VanDerWaalsContact CE2-NH2 3.29Å; Y591-R595 WeakPolarHBondContact O-CB 3.31Å; Y591-R595 PolarHBondContact OH-NH1 3Å; Y591-R595 PolarHBondContact OH-NH2 2.9Å; R595-W597 HydrophobicContact CG-CD2 4.27Å; R595-W597 HydrophobicContact CG-CG 4.16Å; R595-K712 PolarHBondContact O-NZ 3.11Å; R595-K712 VanDerWaalsContact O-NZ 3.13Å
596	K	47.2	Very low	53.1	Low	174 Å²	174	102.5 Å²	102.5	76%	0.757	54%	0.543	S	S	*	.			trans	-72	113.8	153.4	-72.5	-173.3	176.5	-176.4	0	107.8	K594	K594-K596 PolarHBondContact O-N 3.42Å; K594-K596 VanDerWaalsContact O-N 3.09Å
597	W	48.6	Very low	52.2	Low	78 Å²	78	106.7 Å²	106.7	30%	0.295	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.3	121.3	172.1	-64.7	75.6	0	0	0	107.4	R595 K712 L716 I719	R595-W597 HydrophobicContact CG-CD2 4.27Å; R595-W597 HydrophobicContact CG-CG 4.16Å; W597-K712 VanDerWaalsContact CD1-CE 3.43Å; W597-L716 HydrophobicContact CZ2-CB 4.17Å; W597-L716 HydrophobicContact CZ2-CD1 4.31Å; W597-L716 HydrophobicContact CZ2-CG 4.2Å; W597-I719 HydrophobicContact CE3-CD1 4.3Å; W597-I719 HydrophobicContact CH2-CD1 4.23Å; W597-I719 HydrophobicContact CZ3-CD1 3.6Å
598	G	42.9	Very low	51.8	Low	82 Å²	82	108 Å²	108	85%	0.845	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	129.4	-13.3	178.1	0	0	0	0	0	117.1
599	Q	43.9	Very low	51.8	Low	163 Å²	163	108.8 Å²	108.8	76%	0.762	56%	0.561	S	S	*	*			trans	-142.9	113.1	174.2	-78.2	-175	-32.4	0	0	111.5
600	H	46.3	Very low	52.4	Low	171 Å²	171	107.6 Å²	107.6	79%	0.792	56%	0.564	S	S	*	*			trans	-160.9	103.4	155	-147.5	-61.5	0	0	0	112	G602	H600-G602 PolarHBondContact O-N 3.11Å
601	D	36.3	Very low	53.7	Low	172 Å²	172	107.7 Å²	107.7	92%	0.92	56%	0.561	S	S	*	*			trans	-74.4	110.5	153.8	-74.8	-62.1	0	0	0	107.4
602	G	49.9	Very low	54.9	Low	45 Å²	45	106.8 Å²	106.8	46%	0.464	56%	0.559	S	S	.	*	S	Bend	trans	166.4	159.7	179.3	0	0	0	0	0	113.5	H600	H600-G602 PolarHBondContact O-N 3.11Å
603	P	41.4	Very low	56.1	Low	132 Å²	132	109.8 Å²	109.8	86%	0.857	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-64.5	143.2	-175.7	26.5	-34.4	0	0	0	112.1
604	L	44.7	Very low	57.4	Low	166 Å²	166	109 Å²	109	87%	0.869	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-54.9	139.3	-178.1	-69.2	167.7	0	0	0	111.7
605	P	47.6	Very low	59.1	Low	78 Å²	78	105.3 Å²	105.3	51%	0.506	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-64.5	153.2	-178.5	27.7	-35.3	0	0	0	111.8	A609	P605-A609 HydrophobicContact CB-CB 4.31Å
606	R	50.8	Low	60.9	Low	233 Å²	233	103.6 Å²	103.6	88%	0.879	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-50.2	146.2	177.3	-69.5	178.2	173.3	172.1	-3.1	111.8	H608 A609	R606-H608 PolarHBondContact O-N 2.9Å; R606-A609 PolarHBondContact O-N 3.27Å
607	Q	44.3	Very low	63.2	Low	189 Å²	189	95.3 Å²	95.3	88%	0.883	53%	0.526	S	S	*	.	S	Bend	trans	-50.9	132.8	177	-67.1	174.8	-13.2	0	0	110.8
608	H	53	Low	65.4	Low	155 Å²	155	92.1 Å²	92.1	72%	0.718	51%	0.513	S	S	*	.	S	Bend	trans	52.4	71.2	-171.7	-60.7	-78.4	0	0	0	113.8	R606 G610	R606-H608 PolarHBondContact O-N 2.9Å; H608-G610 PolarHBondContact O-N 2.83Å
609	A	59	Low	67.9	Low	27 Å²	27	88.4 Å²	88.4	22%	0.223	48%	0.475	C	S	.	.			trans	-72.3	69.4	177.8	0	0	0	0	0	112.9	Y591 P605 R606 L611	Y591-A609 HydrophobicContact CD2-CB 3.91Å; Y591-A609 VanDerWaalsContact CD2-O 3.25Å; Y591-A609 WeakPolarHBondContact CD2-O 3.39Å; Y591-A609 HydrophobicContact CE2-CB 3.35Å; Y591-A609 WeakPolarHBondContact CE2-O 3.47Å; P605-A609 HydrophobicContact CB-CB 4.31Å; R606-A609 PolarHBondContact O-N 3.27Å; A609-L611 VanDerWaalsContact C-N 3.28Å; A609-L611 PolarHBondContact O-N 3.01Å
610	G	70.9	Confident	70.5	Confident	37 Å²	37	80.9 Å²	80.9	38%	0.381	44%	0.439	S	S	.	.	S	Bend	trans	78.8	-2.6	175.3	0	0	0	0	0	116.1	H608 N700	H608-G610 PolarHBondContact O-N 2.83Å; G610-N700 PolarHBondContact O-ND2 3Å
611	L	86.1	Confident	72.9	Confident	20 Å²	20	72.8 Å²	72.8	11%	0.105	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-85.3	145.2	179.1	-60.6	-174.3	0	0	0	112.4	Y591 A609 L716 N720 Y721	Y591-L611 HydrophobicContact CD1-CD2 3.9Å; Y591-L611 HydrophobicContact CD1-CG 4.34Å; Y591-L611 HydrophobicContact CE1-CD1 4.01Å; Y591-L611 HydrophobicContact CE1-CD2 3.9Å; Y591-L611 HydrophobicContact CE1-CG 3.96Å; A609-L611 VanDerWaalsContact C-N 3.28Å; A609-L611 PolarHBondContact O-N 3.01Å; L611-L716 HydrophobicContact CD1-CD2 4.06Å; L611-L716 HydrophobicContact CD2-CD2 4.19Å; L611-N720 HydrophobicContact CD1-CB 3.7Å; L611-N720 WeakPolarHBondContact CD1-OD1 3.45Å; L611-Y721 HydrophobicContact CD1-CE2 4.45Å
612	L	90.7	Very high	75.7	Confident	21 Å²	21	64.9 Å²	64.9	11%	0.11	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-75.1	146.9	-179	-63	-179.1	0	0	0	112	E614 I617 L697 Y721	L612-E614 PolarHBondContact O-N 3.22Å; L612-I617 HydrophobicContact CB-CD1 4.32Å; L612-I617 HydrophobicContact CB-CG1 4.28Å; L612-L697 HydrophobicContact CD1-CB 4.17Å; L612-L697 HydrophobicContact CD1-CD2 3.64Å; L612-Y721 WeakPolarHBondContact O-CE1 3.32Å; L612-Y721 PolarHBondContact O-OH 2.98Å
613	P	92.9	Very high	77.9	Confident	64 Å²	64	63.7 Å²	63.7	42%	0.416	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-62.6	133.1	174.2	-22.4	33.9	0	0	0	112.1	S615 L616 I617	P613-S615 PolarHBondContact O-N 3.1Å; P613-L616 HydrophobicContact CB-CB 4.47Å; P613-L616 WeakPolarHBondContact O-CB 3.38Å; P613-L616 PolarHBondContact O-N 3.45Å; P613-I617 PolarHBondContact O-N 3.42Å
614	E	93.9	Very high	80.6	Confident	47 Å²	47	57.5 Å²	57.5	22%	0.22	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-34.9	-177.5	-160.2	-174.8	123.8	0	0	112.9	L612 L616 I617 W618 Y721 S722 L725	L612-E614 PolarHBondContact O-N 3.22Å; E614-L616 VanDerWaalsContact C-N 3.26Å; E614-L616 PolarHBondContact O-N 3.31Å; E614-I617 PolarHBondContact O-N 2.91Å; E614-I617 VanDerWaalsContact O-N 3.14Å; E614-W618 PolarHBondContact O-N 3.24Å; E614-W618 PolarHBondContact OE1-NE1 3Å; E614-Y721 HydrophobicContact CB-CD1 3.91Å; E614-Y721 HydrophobicContact CB-CE1 4.4Å; E614-Y721 HydrophobicContact CG-CD1 3.85Å; E614-Y721 WeakPolarHBondContact OE2-CA 3.26Å; E614-S722 VanDerWaalsContact CD-OG 3.29Å; E614-S722 VanDerWaalsContact OE1-CB 3.29Å; E614-S722 WeakPolarHBondContact OE1-CB 3.4Å; E614-S722 PolarHBondContact OE1-OG 3.06Å; E614-S722 WeakPolarHBondContact OE2-CB 3.49Å; E614-S722 PolarHBondContact OE2-N 2.91Å; E614-S722 PolarHBondContact OE2-OG 3.45Å; E614-L725 HydrophobicContact CG-CD2 4.01Å
615	S	93.8	Very high	83	Confident	87 Å²	87	49.7 Å²	49.7	61%	0.608	26%	0.261	S	S	*	.	H	α-helix	trans	-60.3	-32.9	174.9	51.7	0	0	0	0	113.4	P613 A619	P613-S615 PolarHBondContact O-N 3.1Å; S615-A619 WeakPolarHBondContact O-CB 3.49Å; S615-A619 PolarHBondContact O-N 3.19Å
616	L	93.9	Very high	85.4	Confident	35 Å²	35	47.3 Å²	47.3	18%	0.183	25%	0.246	C	C	.	.	H	α-helix	trans	-73	-39.7	174.5	-175.6	63.6	0	0	0	111.1	P613 E614 A619 Y620 T652	P613-L616 HydrophobicContact CB-CB 4.47Å; P613-L616 WeakPolarHBondContact O-CB 3.38Å; P613-L616 PolarHBondContact O-N 3.45Å; E614-L616 VanDerWaalsContact C-N 3.26Å; E614-L616 PolarHBondContact O-N 3.31Å; L616-A619 WeakPolarHBondContact O-CB 3.29Å; L616-A619 PolarHBondContact O-N 2.99Å; L616-Y620 HydrophobicContact CD1-CD1 4.39Å; L616-Y620 HydrophobicContact CD1-CE1 3.69Å; L616-Y620 HydrophobicContact CD1-CE2 4.29Å; L616-Y620 HydrophobicContact CD2-CE2 4.3Å; L616-Y620 HydrophobicContact CG-CD2 4.49Å; L616-Y620 HydrophobicContact CG-CE1 4.22Å; L616-Y620 HydrophobicContact CG-CE2 3.92Å; L616-Y620 VanDerWaalsContact O-CG 3.32Å; L616-Y620 PolarHBondContact O-N 3.03Å; L616-T652 HydrophobicContact CD1-CG2 3.8Å
617	I	95.8	Very high	87.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-44.1	175.5	-54.9	177.6	0	0	0	109.8	L612 P613 E614 A619 Y620 I621 V694 A698 Y721 L725	L612-I617 HydrophobicContact CB-CD1 4.32Å; L612-I617 HydrophobicContact CB-CG1 4.28Å; P613-I617 PolarHBondContact O-N 3.42Å; E614-I617 PolarHBondContact O-N 2.91Å; E614-I617 VanDerWaalsContact O-N 3.14Å; I617-A619 PolarHBondContact O-N 2.88Å; I617-Y620 PolarHBondContact O-N 3.38Å; I617-I621 HydrophobicContact CG2-CD1 3.87Å; I617-I621 HydrophobicContact CG2-CG1 4.47Å; I617-I621 WeakPolarHBondContact O-CD1 3.36Å; I617-I621 VanDerWaalsContact O-CG1 3.29Å; I617-I621 WeakPolarHBondContact O-CG1 3.28Å; I617-I621 PolarHBondContact O-N 2.92Å; I617-V694 HydrophobicContact CG2-CG1 4.07Å; I617-A698 HydrophobicContact CD1-CB 4.23Å; I617-Y721 HydrophobicContact CD1-CD1 4.39Å; I617-Y721 HydrophobicContact CD1-CE1 3.63Å; I617-L725 HydrophobicContact CD1-CD2 4.19Å; I617-L725 HydrophobicContact CG2-CD1 4.06Å; I617-L725 HydrophobicContact CG2-CD2 4.2Å
618	W	96	Very high	90.1	Very high	10 Å²	10	27.2 Å²	27.2	4%	0.038	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-41.9	173.2	-74.4	120.4	0	0	0	113.2	E614 Y620 I621 V622 D724 L725 L728 I749 R752	E614-W618 PolarHBondContact O-N 3.24Å; E614-W618 PolarHBondContact OE1-NE1 3Å; W618-Y620 PolarHBondContact O-N 2.95Å; W618-I621 HydrophobicContact CD2-CD1 4.23Å; W618-I621 HydrophobicContact CE3-CB 4.26Å; W618-I621 HydrophobicContact CE3-CD1 3.58Å; W618-I621 HydrophobicContact CE3-CG2 4.2Å; W618-I621 HydrophobicContact CZ3-CD1 3.73Å; W618-I621 HydrophobicContact CZ3-CG2 4.24Å; W618-I621 PolarHBondContact O-N 3.44Å; W618-V622 WeakPolarHBondContact O-CG2 3.49Å; W618-V622 PolarHBondContact O-N 2.97Å; W618-D724 HydrophobicContact CH2-CB 4.13Å; W618-D724 HydrophobicContact CZ2-CB 3.72Å; W618-L725 HydrophobicContact CH2-CB 4.38Å; W618-L725 HydrophobicContact CH2-CD1 4.32Å; W618-L725 HydrophobicContact CZ2-CB 3.8Å; W618-L725 HydrophobicContact CZ2-CD1 4.27Å; W618-L728 HydrophobicContact CH2-CB 4.48Å; W618-L728 HydrophobicContact CH2-CD2 4.07Å; W618-L728 HydrophobicContact CZ3-CD2 3.67Å; W618-I749 HydrophobicContact CE3-CG2 4.49Å; W618-I749 HydrophobicContact CZ3-CG2 3.88Å; W618-R752 HydrophobicContact CD2-CG 4.17Å; W618-R752 HydrophobicContact CE3-CG 4.17Å; W618-R752 HydrophobicContact CG-CG 4.39Å
619	A	95.5	Very high	92.1	Very high	5 Å²	5	25.8 Å²	25.8	4%	0.041	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-35.4	174.7	0	0	0	0	0	112.5	S615 L616 I617 Q623 Q756	S615-A619 WeakPolarHBondContact O-CB 3.49Å; S615-A619 PolarHBondContact O-N 3.19Å; L616-A619 WeakPolarHBondContact O-CB 3.29Å; L616-A619 PolarHBondContact O-N 2.99Å; I617-A619 PolarHBondContact O-N 2.88Å; A619-Q623 WeakPolarHBondContact O-CG 3.49Å; A619-Q623 PolarHBondContact O-N 3.2Å; A619-Q623 PolarHBondContact O-NE2 3.34Å; A619-Q756 VanDerWaalsContact CB-OE1 3.29Å
620	Y	96.7	Very high	93.9	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-73.6	-43.6	174.3	-67	-12.1	0	0	0	112.4	M578 H582 L616 I617 W618 V622 Q623 L624 L654 L697	M578-Y620 HydrophobicContact CE-CD2 3.81Å; M578-Y620 HydrophobicContact CE-CE2 4.1Å; M578-Y620 HydrophobicContact CE-CG 4.23Å; H582-Y620 PolarHBondContact CE1-OH 3.21Å; H582-Y620 AromaticContact NE2-CE2 3.57Å; H582-Y620 AromaticContact NE2-CZ 3.76Å; H582-Y620 PolarHBondContact NE2-OH 3.47Å; H582-Y620 VanDerWaalsContact NE2-OH 3.09Å; L616-Y620 HydrophobicContact CD1-CD1 4.39Å; L616-Y620 HydrophobicContact CD1-CE1 3.69Å; L616-Y620 HydrophobicContact CD1-CE2 4.29Å; L616-Y620 HydrophobicContact CD2-CE2 4.3Å; L616-Y620 HydrophobicContact CG-CD2 4.49Å; L616-Y620 HydrophobicContact CG-CE1 4.22Å; L616-Y620 HydrophobicContact CG-CE2 3.92Å; L616-Y620 VanDerWaalsContact O-CG 3.32Å; L616-Y620 PolarHBondContact O-N 3.03Å; I617-Y620 PolarHBondContact O-N 3.38Å; W618-Y620 PolarHBondContact O-N 2.95Å; Y620-V622 PolarHBondContact O-N 3.41Å; Y620-Q623 PolarHBondContact O-N 2.97Å; Y620-L624 WeakPolarHBondContact O-CB 3.41Å; Y620-L624 WeakPolarHBondContact O-CG 3.23Å; Y620-L624 PolarHBondContact O-N 2.86Å; Y620-L654 HydrophobicContact CD1-CD1 3.63Å; Y620-L654 HydrophobicContact CD1-CD2 3.73Å; Y620-L654 HydrophobicContact CD1-CG 3.66Å; Y620-L654 HydrophobicContact CE1-CD1 4.45Å; Y620-L654 HydrophobicContact CE1-CD2 3.7Å; Y620-L654 HydrophobicContact CE1-CG 4.09Å; Y620-L654 HydrophobicContact CG-CD1 3.73Å; Y620-L654 HydrophobicContact CG-CD2 4.31Å; Y620-L654 HydrophobicContact CG-CG 4.27Å; Y620-L697 HydrophobicContact CD2-CD1 3.96Å; Y620-L697 HydrophobicContact CD2-CD2 4.34Å; Y620-L697 HydrophobicContact CE2-CD2 4.35Å
621	I	96.9	Very high	95.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-57.1	-46.9	177	-72.1	159.8	0	0	0	111.4	I617 W618 L624 S625 V694 L725 L728 I749	I617-I621 HydrophobicContact CG2-CD1 3.87Å; I617-I621 HydrophobicContact CG2-CG1 4.47Å; I617-I621 WeakPolarHBondContact O-CD1 3.36Å; I617-I621 VanDerWaalsContact O-CG1 3.29Å; I617-I621 WeakPolarHBondContact O-CG1 3.28Å; I617-I621 PolarHBondContact O-N 2.92Å; W618-I621 HydrophobicContact CD2-CD1 4.23Å; W618-I621 HydrophobicContact CE3-CB 4.26Å; W618-I621 HydrophobicContact CE3-CD1 3.58Å; W618-I621 HydrophobicContact CE3-CG2 4.2Å; W618-I621 HydrophobicContact CZ3-CD1 3.73Å; W618-I621 HydrophobicContact CZ3-CG2 4.24Å; W618-I621 PolarHBondContact O-N 3.44Å; I621-L624 PolarHBondContact O-N 3.22Å; I621-S625 VanDerWaalsContact O-CB 3.31Å; I621-S625 WeakPolarHBondContact O-CB 3.44Å; I621-S625 PolarHBondContact O-N 3.06Å; I621-S625 PolarHBondContact O-OG 3.12Å; I621-V694 HydrophobicContact CD1-CG1 3.89Å; I621-V694 HydrophobicContact CD1-CG2 4.18Å; I621-V694 HydrophobicContact CG1-CG1 4.27Å; I621-V694 HydrophobicContact CG1-CG2 3.63Å; I621-L725 HydrophobicContact CD1-CD1 3.67Å; I621-L728 HydrophobicContact CD1-CD2 3.9Å; I621-L728 HydrophobicContact CG1-CD2 4.39Å; I621-L728 HydrophobicContact CG2-CD2 3.79Å; I621-I749 HydrophobicContact CG2-CG2 3.89Å
622	V	96.3	Very high	95.6	Very high	6 Å²	6	25 Å²	25	4%	0.036	14%	0.135	C	C	.	.	H	α-helix	trans	-63.4	-41.9	-179.5	170.5	0	0	0	0	111.7	W618 Y620 S625 S626 R752 F753 Q756	W618-V622 WeakPolarHBondContact O-CG2 3.49Å; W618-V622 PolarHBondContact O-N 2.97Å; Y620-V622 PolarHBondContact O-N 3.41Å; V622-S625 PolarHBondContact O-OG 3.32Å; V622-S626 VanDerWaalsContact O-CB 3.26Å; V622-S626 WeakPolarHBondContact O-CB 3.26Å; V622-S626 PolarHBondContact O-N 3.27Å; V622-S626 VanDerWaalsContact O-N 3.09Å; V622-R752 HydrophobicContact CG2-CB 3.97Å; V622-F753 HydrophobicContact CG1-CD1 3.58Å; V622-F753 HydrophobicContact CG1-CD2 4.19Å; V622-F753 HydrophobicContact CG1-CE1 3.6Å; V622-F753 HydrophobicContact CG1-CE2 4.22Å; V622-F753 HydrophobicContact CG1-CG 3.89Å; V622-F753 HydrophobicContact CG1-CZ 3.92Å; V622-F753 HydrophobicContact CG2-CD2 4.45Å; V622-Q756 HydrophobicContact CB-CG 4.01Å; V622-Q756 HydrophobicContact CG1-CB 4.03Å; V622-Q756 HydrophobicContact CG1-CG 3.87Å; V622-Q756 HydrophobicContact CG2-CG 4.28Å
623	Q	96.4	Very high	95.9	Very high	21 Å²	21	29.1 Å²	29.1	10%	0.098	16%	0.161	C	C	.	.	H	α-helix	trans	-68	-42.2	177.7	-74	177.1	87.4	0	0	112.5	N547 A619 Y620 A627 T652 L654	N547-Q623 PolarHBondContact ND2-OE1 3.02Å; A619-Q623 WeakPolarHBondContact O-CG 3.49Å; A619-Q623 PolarHBondContact O-N 3.2Å; A619-Q623 PolarHBondContact O-NE2 3.34Å; Y620-Q623 PolarHBondContact O-N 2.97Å; Q623-A627 PolarHBondContact O-N 3.49Å; Q623-A627 VanDerWaalsContact O-N 3.17Å; Q623-T652 PolarHBondContact NE2-O 3.09Å; Q623-L654 HydrophobicContact CB-CB 4.31Å; Q623-L654 HydrophobicContact CB-CD1 4.4Å
624	L	97	Very high	95.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-73.5	-38.4	-179.5	-66	173.9	0	0	0	112.4	Y620 I621 A627 L628 M641 I646 L654 V656 L690 V693	Y620-L624 WeakPolarHBondContact O-CB 3.41Å; Y620-L624 WeakPolarHBondContact O-CG 3.23Å; Y620-L624 PolarHBondContact O-N 2.86Å; I621-L624 PolarHBondContact O-N 3.22Å; L624-A627 PolarHBondContact O-N 3.32Å; L624-L628 WeakPolarHBondContact O-CG 3.35Å; L624-L628 PolarHBondContact O-N 3.31Å; L624-M641 HydrophobicContact CB-CE 4.29Å; L624-M641 HydrophobicContact CD1-SD 4.17Å; L624-M641 HydrophobicContact CD2-CE 4.15Å; L624-M641 HydrophobicContact CD2-SD 4.02Å; L624-M641 HydrophobicContact CG-SD 4.48Å; L624-I646 HydrophobicContact CD1-CD1 4.06Å; L624-I646 HydrophobicContact CD2-CD1 4.17Å; L624-I646 HydrophobicContact CD2-CG1 4.25Å; L624-I646 HydrophobicContact CD2-CG2 4.27Å; L624-L654 HydrophobicContact CD1-CD1 4.05Å; L624-L654 HydrophobicContact CD2-CD1 3.98Å; L624-L654 HydrophobicContact CG-CD1 3.74Å; L624-V656 HydrophobicContact CD2-CG2 3.84Å; L624-L690 HydrophobicContact CB-CD1 3.78Å; L624-L690 HydrophobicContact CD1-CD1 3.82Å; L624-L690 HydrophobicContact CG-CD1 4.46Å; L624-V693 HydrophobicContact CD1-CG1 4.4Å
625	S	96.4	Very high	95.9	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-68.2	-37.1	175.3	66.4	0	0	0	0	111.9	I621 V622 A627 L628 R629 V742 I749	I621-S625 VanDerWaalsContact O-CB 3.31Å; I621-S625 WeakPolarHBondContact O-CB 3.44Å; I621-S625 PolarHBondContact O-N 3.06Å; I621-S625 PolarHBondContact O-OG 3.12Å; V622-S625 PolarHBondContact O-OG 3.32Å; S625-A627 PolarHBondContact O-N 2.95Å; S625-L628 PolarHBondContact O-N 3.46Å; S625-R629 VanDerWaalsContact O-CB 3.32Å; S625-R629 WeakPolarHBondContact O-CB 3.46Å; S625-R629 PolarHBondContact O-N 3.35Å; S625-V742 WeakPolarHBondContact O-CG1 3.4Å; S625-I749 VanDerWaalsContact OG-CD1 3.24Å; S625-I749 WeakPolarHBondContact OG-CD1 3.39Å
626	S	96	Very high	96	Very high	28 Å²	28	23 Å²	23	20%	0.196	13%	0.133	C	C	.	.	H	α-helix	trans	-58.2	-46.5	171.3	-172.6	0	0	0	0	111.7	H545 V622 R629 T630	H545-S626 WeakPolarHBondContact CE1-CB 3.49Å; H545-S626 PolarHBondContact CE1-OG 3.23Å; H545-S626 VanDerWaalsContact NE2-C 3.26Å; H545-S626 WeakPolarHBondContact NE2-CB 3.28Å; H545-S626 PolarHBondContact NE2-O 3.44Å; H545-S626 PolarHBondContact NE2-OG 2.95Å; V622-S626 VanDerWaalsContact O-CB 3.26Å; V622-S626 WeakPolarHBondContact O-CB 3.26Å; V622-S626 PolarHBondContact O-N 3.27Å; V622-S626 VanDerWaalsContact O-N 3.09Å; S626-R629 PolarHBondContact O-N 3.42Å; S626-T630 PolarHBondContact O-N 3.09Å; S626-T630 PolarHBondContact O-OG1 3.3Å
627	A	97.1	Very high	96.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.1	-49.3	175.5	0	0	0	0	0	112.5	H545 N547 I548 Q623 L624 S625 R629 T630 I631	H545-A627 PolarHBondContact CE1-N 3.35Å; N547-A627 HydrophobicContact CB-CB 4.18Å; I548-A627 HydrophobicContact CD1-CB 4.29Å; I548-A627 HydrophobicContact CG1-CB 3.88Å; Q623-A627 PolarHBondContact O-N 3.49Å; Q623-A627 VanDerWaalsContact O-N 3.17Å; L624-A627 PolarHBondContact O-N 3.32Å; S625-A627 PolarHBondContact O-N 2.95Å; A627-R629 VanDerWaalsContact C-N 3.32Å; A627-R629 PolarHBondContact O-N 2.95Å; A627-T630 PolarHBondContact O-N 3.22Å; A627-I631 VanDerWaalsContact O-CG1 3.3Å; A627-I631 WeakPolarHBondContact O-CG1 3.48Å; A627-I631 PolarHBondContact O-N 3.3Å
628	L	96.9	Very high	96	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.6	-41.1	177.8	-72.7	-175.5	0	0	0	112.1	L624 S625 T630 I631 H632 C638 M641 D686 L690 V742	L624-L628 WeakPolarHBondContact O-CG 3.35Å; L624-L628 PolarHBondContact O-N 3.31Å; S625-L628 PolarHBondContact O-N 3.46Å; L628-T630 VanDerWaalsContact C-N 3.32Å; L628-T630 PolarHBondContact O-N 3.45Å; L628-I631 PolarHBondContact O-N 3.2Å; L628-H632 WeakPolarHBondContact O-CB 3.27Å; L628-H632 PolarHBondContact O-CD2 2.7Å; L628-H632 VanDerWaalsContact O-CG 3.29Å; L628-H632 PolarHBondContact O-N 3.41Å; L628-C638 HydrophobicContact CD2-CB 3.52Å; L628-M641 HydrophobicContact CD1-CE 4.03Å; L628-M641 HydrophobicContact CD2-CE 3.66Å; L628-M641 HydrophobicContact CG-CE 3.73Å; L628-D686 HydrophobicContact CD1-CB 4.37Å; L628-D686 HydrophobicContact CD2-CB 3.98Å; L628-L690 HydrophobicContact CD1-CB 4.32Å; L628-L690 HydrophobicContact CD1-CD2 4.05Å; L628-V742 HydrophobicContact CB-CG1 4.28Å; L628-V742 HydrophobicContact CB-CG2 3.74Å
629	R	96.1	Very high	95.9	Very high	126 Å²	126	23.4 Å²	23.4	48%	0.475	13%	0.132	S	C	.	.	H	α-helix	trans	-59	-43.5	178.2	-177.2	172.9	175.6	-96.8	-2.1	111.5	S625 S626 A627 T633 V742 N743	S625-R629 VanDerWaalsContact O-CB 3.32Å; S625-R629 WeakPolarHBondContact O-CB 3.46Å; S625-R629 PolarHBondContact O-N 3.35Å; S626-R629 PolarHBondContact O-N 3.42Å; A627-R629 VanDerWaalsContact C-N 3.32Å; A627-R629 PolarHBondContact O-N 2.95Å; R629-T633 VanDerWaalsContact O-CB 3.23Å; R629-T633 WeakPolarHBondContact O-CB 3.36Å; R629-T633 PolarHBondContact O-N 2.83Å; R629-T633 PolarHBondContact O-OG1 2.9Å; R629-V742 HydrophobicContact CB-CB 4.42Å; R629-V742 HydrophobicContact CB-CG1 3.87Å; R629-N743 PolarHBondContact NE-OD1 3.42Å; R629-N743 VanDerWaalsContact NE-OD1 3.08Å
630	T	97.1	Very high	95.7	Very high	43 Å²	43	23.4 Å²	23.4	26%	0.264	13%	0.131	S	C	.	.	H	α-helix	trans	-64.9	-45.8	175.4	-62.5	0	0	0	0	111.9	I543 H545 S626 A627 L628 T633 A634	I543-T630 HydrophobicContact CG2-CG2 4.07Å; H545-T630 HydrophobicContact CB-CG2 4.47Å; H545-T630 PolarHBondContact CD2-OG1 2.78Å; H545-T630 VanDerWaalsContact CD2-OG1 3.31Å; S626-T630 PolarHBondContact O-N 3.09Å; S626-T630 PolarHBondContact O-OG1 3.3Å; A627-T630 PolarHBondContact O-N 3.22Å; L628-T630 VanDerWaalsContact C-N 3.32Å; L628-T630 PolarHBondContact O-N 3.45Å; T630-T633 PolarHBondContact O-N 3.29Å; T630-A634 WeakPolarHBondContact O-CB 3.45Å; T630-A634 PolarHBondContact O-N 2.82Å
631	I	96.9	Very high	95.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.3	-47	179.4	-64.8	163.6	0	0	0	111.2	W540 I548 A627 L628 A634 L636 C638	W540-I631 HydrophobicContact CH2-CB 4.38Å; W540-I631 HydrophobicContact CH2-CD1 3.97Å; W540-I631 HydrophobicContact CH2-CG1 3.85Å; W540-I631 HydrophobicContact CH2-CG2 3.6Å; W540-I631 HydrophobicContact CZ2-CG2 4.24Å; W540-I631 HydrophobicContact CZ3-CD1 4.26Å; W540-I631 HydrophobicContact CZ3-CG1 3.91Å; W540-I631 HydrophobicContact CZ3-CG2 4.32Å; I548-I631 HydrophobicContact CD1-CD1 3.74Å; I548-I631 HydrophobicContact CD1-CG1 3.59Å; I548-I631 HydrophobicContact CG1-CD1 4.43Å; A627-I631 VanDerWaalsContact O-CG1 3.3Å; A627-I631 WeakPolarHBondContact O-CG1 3.48Å; A627-I631 PolarHBondContact O-N 3.3Å; L628-I631 PolarHBondContact O-N 3.2Å; I631-A634 PolarHBondContact O-N 2.82Å; I631-L636 HydrophobicContact CG2-CB 3.93Å; I631-L636 PolarHBondContact O-N 3.01Å; I631-L636 VanDerWaalsContact O-N 3.09Å; I631-C638 HydrophobicContact CD1-CB 3.95Å
632	H	95.9	Very high	95.3	Very high	23 Å²	23	25.6 Å²	25.6	11%	0.106	14%	0.143	C	C	.	.	H	α-helix	trans	-69.7	-36.6	-177.3	-68	-167.2	0	0	0	112	L628 A634 G635 Q683 D686 V742	L628-H632 WeakPolarHBondContact O-CB 3.27Å; L628-H632 PolarHBondContact O-CD2 2.7Å; L628-H632 VanDerWaalsContact O-CG 3.29Å; L628-H632 PolarHBondContact O-N 3.41Å; H632-A634 VanDerWaalsContact C-N 3.29Å; H632-A634 PolarHBondContact O-N 2.97Å; H632-G635 PolarHBondContact O-N 2.96Å; H632-G635 VanDerWaalsContact O-N 3.1Å; H632-Q683 PolarHBondContact CE1-O 2.6Å; H632-Q683 PolarHBondContact O-NE2 3Å; H632-D686 IonicContact CD2-OD2 2.73Å; H632-D686 IonicContact CE1-OD2 3.14Å; H632-D686 IonicContact NE2-OD2 2.72Å; H632-D686 PolarHBondContact NE2-OD2 2.71Å; H632-V742 VanDerWaalsContact ND1-CG2 3.28Å; H632-V742 WeakPolarHBondContact ND1-CG2 3.3Å
633	T	95.3	Very high	95.1	Very high	109 Å²	109	25.4 Å²	25.4	67%	0.669	14%	0.142	S	C	*	.	H	α-helix	trans	-67.2	-30.3	175.1	-57.2	0	0	0	0	111.9	R629 T630 G635	R629-T633 VanDerWaalsContact O-CB 3.23Å; R629-T633 WeakPolarHBondContact O-CB 3.36Å; R629-T633 PolarHBondContact O-N 2.83Å; R629-T633 PolarHBondContact O-OG1 2.9Å; T630-T633 PolarHBondContact O-N 3.29Å; T633-G635 PolarHBondContact O-N 3.05Å
634	A	94.8	Very high	94.9	Very high	41 Å²	41	26.3 Å²	26.3	34%	0.339	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	3.9	172.7	0	0	0	0	0	113.9	M539 I543 T630 I631 H632 L636	M539-A634 VanDerWaalsContact CE-O 3.24Å; M539-A634 WeakPolarHBondContact CE-O 3.24Å; I543-A634 HydrophobicContact CD1-CB 3.63Å; I543-A634 HydrophobicContact CG1-CB 4.08Å; T630-A634 WeakPolarHBondContact O-CB 3.45Å; T630-A634 PolarHBondContact O-N 2.82Å; I631-A634 PolarHBondContact O-N 2.82Å; H632-A634 VanDerWaalsContact C-N 3.29Å; H632-A634 PolarHBondContact O-N 2.97Å; A634-L636 VanDerWaalsContact C-N 3.35Å
635	G	93.1	Very high	94.7	Very high	29 Å²	29	27.1 Å²	27.1	30%	0.299	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	23.4	-178.9	0	0	0	0	0	114.1	H632 T633 M679	H632-G635 PolarHBondContact O-N 2.96Å; H632-G635 VanDerWaalsContact O-N 3.1Å; T633-G635 PolarHBondContact O-N 3.05Å; G635-M679 WeakPolarHBondContact O-CG 3.47Å
636	L	95.3	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.			trans	-117.4	176.7	177.2	-60.4	-177.5	0	0	0	111.3	L536 M539 W540 I543 I631 A634 M679 Q683	L536-L636 HydrophobicContact CD2-CD2 3.89Å; M539-L636 HydrophobicContact CB-CD1 3.95Å; M539-L636 HydrophobicContact CB-CD2 4.18Å; M539-L636 HydrophobicContact CB-CG 4.41Å; M539-L636 HydrophobicContact CE-CD2 3.69Å; M539-L636 HydrophobicContact CE-CG 4.1Å; M539-L636 HydrophobicContact SD-CD2 4.13Å; W540-L636 HydrophobicContact CD2-CD1 3.58Å; W540-L636 HydrophobicContact CE3-CD1 4.11Å; W540-L636 HydrophobicContact CG-CD1 3.76Å; W540-L636 HydrophobicContact CZ2-CB 4.23Å; W540-L636 HydrophobicContact CZ2-CD1 4.17Å; I543-L636 HydrophobicContact CD1-CD1 3.74Å; I631-L636 HydrophobicContact CG2-CB 3.93Å; I631-L636 PolarHBondContact O-N 3.01Å; I631-L636 VanDerWaalsContact O-N 3.09Å; A634-L636 VanDerWaalsContact C-N 3.35Å; L636-M679 VanDerWaalsContact C-SD 3.51Å; L636-M679 HydrophobicContact CD2-CE 4.05Å; L636-Q683 PolarHBondContact O-NE2 3.3Å
637	A	95.4	Very high	94.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.			trans	-133	145.4	173.2	0	0	0	0	0	109.3	W540 R639 M679 Y682 Q683 D686	W540-A637 WeakPolarHBondContact CZ2-O 3.31Å; A637-R639 HydrophobicContact CB-CG 3.92Å; A637-M679 HydrophobicContact CB-CG 4.49Å; A637-M679 HydrophobicContact CB-SD 3.6Å; A637-M679 PolarHBondContact N-SD 3.27Å; A637-Y682 VanDerWaalsContact CB-CB 3.43Å; A637-Q683 HydrophobicContact CB-CG 3.99Å; A637-D686 WeakPolarHBondContact CA-OD2 3.4Å
638	C	95.2	Very high	94.6	Very high	1 Å²	1	27 Å²	27	1%	0.007	15%	0.149	C	C	.	.			trans	-69.1	-48.9	-174.3	174.1	0	0	0	0	111.9	L628 I631 V640 D686	L628-C638 HydrophobicContact CD2-CB 3.52Å; I631-C638 HydrophobicContact CD1-CB 3.95Å; C638-V640 PolarHBondContact O-N 2.87Å; C638-D686 WeakPolarHBondContact CB-OD1 3.47Å; C638-D686 PolarHBondContact N-OD1 2.8Å; C638-D686 PolarHBondContact N-OD2 2.78Å
639	R	93.3	Very high	94.2	Very high	51 Å²	51	27.5 Å²	27.5	19%	0.192	15%	0.152	C	C	.	.			trans	61.6	-10.3	176.5	-51.5	177.6	73.5	-167.8	-1.4	115.7	A637 F662 D663 T666 Y682 D686	A637-R639 HydrophobicContact CB-CG 3.92Å; R639-F662 HydrophobicContact CB-CB 4.16Å; R639-F662 HydrophobicContact CB-CD2 3.78Å; R639-F662 HydrophobicContact CB-CG 4.37Å; R639-F662 PolarHBondContact NH1-O 3.45Å; R639-F662 WeakPolarHBondContact O-CD2 3.4Å; R639-F662 WeakPolarHBondContact O-CE2 3.44Å; R639-D663 VanDerWaalsContact CD-OD1 3.26Å; R639-D663 WeakPolarHBondContact CD-OD1 3.17Å; R639-D663 IonicContact CZ-OD1 2.77Å; R639-D663 IonicContact NE-OD1 3.82Å; R639-D663 IonicContact NH1-OD1 3.69Å; R639-D663 PolarHBondContact NH1-OD1 3.21Å; R639-T666 PolarHBondContact NH1-OG1 2.87Å; R639-T666 PolarHBondContact NH2-OG1 3.43Å; R639-Y682 HydrophobicContact CG-CG 4.36Å; R639-Y682 VanDerWaalsContact CZ-CE2 3.45Å; R639-Y682 VanDerWaalsContact NH2-CZ 3.27Å; R639-Y682 PolarHBondContact NH2-OH 3.11Å; R639-D686 PolarHBondContact N-OD1 2.82Å
640	V	91.7	Very high	93.6	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.03	14%	0.142	C	C	.	.			trans	-118.2	23.9	-178.4	-59.7	0	0	0	0	113.6	F500 C638 D642 K645 V656 N657 C658 V659 F662	F500-V640 HydrophobicContact CE1-CG1 4.06Å; F500-V640 HydrophobicContact CZ-CG1 4.48Å; C638-V640 PolarHBondContact O-N 2.87Å; V640-D642 VanDerWaalsContact C-N 3.31Å; V640-D642 PolarHBondContact O-N 3.19Å; V640-K645 HydrophobicContact CB-CB 4.45Å; V640-K645 WeakPolarHBondContact O-CB 3.46Å; V640-V656 HydrophobicContact CG2-CG1 3.8Å; V640-N657 VanDerWaalsContact CG2-O 3.31Å; V640-N657 WeakPolarHBondContact CG2-O 3.46Å; V640-C658 HydrophobicContact CG1-CB 4.47Å; V640-V659 HydrophobicContact CG2-CG1 4.28Å; V640-F662 HydrophobicContact CG1-CD2 3.59Å; V640-F662 HydrophobicContact CG1-CE2 3.73Å
641	M	94	Very high	92.9	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.039	16%	0.156	C	C	.	.			trans	-72.7	79	-178.9	-173.8	60.2	73.2	0	0	111.8	L624 L628 I646 V656 L690 V693	L624-M641 HydrophobicContact CB-CE 4.29Å; L624-M641 HydrophobicContact CD1-SD 4.17Å; L624-M641 HydrophobicContact CD2-CE 4.15Å; L624-M641 HydrophobicContact CD2-SD 4.02Å; L624-M641 HydrophobicContact CG-SD 4.48Å; L628-M641 HydrophobicContact CD1-CE 4.03Å; L628-M641 HydrophobicContact CD2-CE 3.66Å; L628-M641 HydrophobicContact CG-CE 3.73Å; M641-I646 HydrophobicContact SD-CD1 3.89Å; M641-I646 HydrophobicContact SD-CG1 4.38Å; M641-V656 HydrophobicContact CE-CG2 4.22Å; M641-L690 HydrophobicContact CG-CB 4.33Å; M641-L690 HydrophobicContact SD-CD1 4.45Å; M641-V693 HydrophobicContact CG-CG2 4.38Å
642	D	91.2	Very high	92.5	Very high	44 Å²	44	29.5 Å²	29.5	24%	0.235	17%	0.173	C	C	.	.	S	Bend	trans	-144.9	145.6	-172.5	172.8	-98.6	0	0	0	111.5	N499 V640 T644 K645 I646	N499-D642 VanDerWaalsContact ND2-CG 3.27Å; N499-D642 PolarHBondContact ND2-OD1 2.78Å; V640-D642 VanDerWaalsContact C-N 3.31Å; V640-D642 PolarHBondContact O-N 3.19Å; D642-T644 PolarHBondContact O-N 3.48Å; D642-T644 VanDerWaalsContact O-N 3.11Å; D642-T644 WeakPolarHBondContact OD1-CA 3.34Å; D642-T644 VanDerWaalsContact OD1-CB 3.26Å; D642-T644 WeakPolarHBondContact OD1-CB 3.3Å; D642-T644 WeakPolarHBondContact OD1-CG2 3.26Å; D642-T644 PolarHBondContact OD1-N 2.82Å; D642-T644 PolarHBondContact OD1-OG1 3.45Å; D642-K645 HydrophobicContact CB-CG 4.43Å; D642-K645 PolarHBondContact O-N 2.9Å; D642-I646 WeakPolarHBondContact O-CG1 3.49Å; D642-I646 PolarHBondContact O-N 2.86Å
643	P	92.3	Very high	92.4	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.013	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.2	-176.5	-25	37.3	0	0	0	114.5	M578 M579 F583 K645 V693 L702	M578-P643 HydrophobicContact CB-CB 4.29Å; M578-P643 HydrophobicContact CG-CB 4.19Å; M578-P643 PolarHBondContact N-O 3.29Å; M578-P643 HydrophobicContact SD-CB 4.44Å; M579-P643 HydrophobicContact CB-CB 4.34Å; M579-P643 PolarHBondContact N-O 3.1Å; F583-P643 HydrophobicContact CD2-CB 4.45Å; F583-P643 HydrophobicContact CE2-CB 4.18Å; F583-P643 HydrophobicContact CE2-CG 4.4Å; P643-K645 PolarHBondContact O-N 2.77Å; P643-V693 HydrophobicContact CG-CG2 4.27Å; P643-L702 HydrophobicContact CG-CD2 4.17Å
644	T	91.1	Very high	92.4	Very high	40 Å²	40	27.7 Å²	27.7	25%	0.245	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-0.3	175.4	76.4	0	0	0	0	113.1	N499 M579 D642	N499-T644 PolarHBondContact ND2-OG1 3.28Å; M579-T644 HydrophobicContact CB-CG2 3.95Å; M579-T644 HydrophobicContact CG-CG2 3.98Å; M579-T644 HydrophobicContact SD-CG2 4.4Å; D642-T644 PolarHBondContact O-N 3.48Å; D642-T644 VanDerWaalsContact O-N 3.11Å; D642-T644 WeakPolarHBondContact OD1-CA 3.34Å; D642-T644 VanDerWaalsContact OD1-CB 3.26Å; D642-T644 WeakPolarHBondContact OD1-CB 3.3Å; D642-T644 WeakPolarHBondContact OD1-CG2 3.26Å; D642-T644 PolarHBondContact OD1-N 2.82Å; D642-T644 PolarHBondContact OD1-OG1 3.45Å
645	K	93.2	Very high	92.5	Very high	17 Å²	17	26.9 Å²	26.9	7%	0.074	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-17.3	-176.5	-58.1	-67.1	158.2	-69.4	0	113.3	F500 V640 D642 P643 N657 C658	F500-K645 HydrophobicContact CE2-CD 4.12Å; F500-K645 VanDerWaalsContact CE2-CE 3.46Å; F500-K645 HydrophobicContact CZ-CD 3.92Å; V640-K645 HydrophobicContact CB-CB 4.45Å; V640-K645 WeakPolarHBondContact O-CB 3.46Å; D642-K645 HydrophobicContact CB-CG 4.43Å; D642-K645 PolarHBondContact O-N 2.9Å; P643-K645 PolarHBondContact O-N 2.77Å; K645-N657 VanDerWaalsContact O-CB 3.3Å; K645-N657 WeakPolarHBondContact O-CB 3.29Å; K645-N657 PolarHBondContact O-N 3.08Å; K645-C658 HydrophobicContact CD-CB 4.15Å; K645-C658 VanDerWaalsContact CD-SG 3.56Å
646	I	96.4	Very high	92.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.3	165.8	-58.6	160.5	0	0	0	108.6	T577 M578 L624 M641 D642 L654 V693	T577-I646 CarbonylContact C-O 3.5Å; T577-I646 WeakPolarHBondContact CA-O 3.37Å; M578-I646 HydrophobicContact CB-CB 4.1Å; M578-I646 HydrophobicContact CB-CG2 4.27Å; M578-I646 HydrophobicContact CE-CD1 4.36Å; M578-I646 HydrophobicContact CE-CG2 3.83Å; M578-I646 PolarHBondContact N-O 3.26Å; M578-I646 HydrophobicContact SD-CB 4.38Å; M578-I646 HydrophobicContact SD-CD1 3.89Å; M578-I646 HydrophobicContact SD-CG2 4.34Å; L624-I646 HydrophobicContact CD1-CD1 4.06Å; L624-I646 HydrophobicContact CD2-CD1 4.17Å; L624-I646 HydrophobicContact CD2-CG1 4.25Å; L624-I646 HydrophobicContact CD2-CG2 4.27Å; M641-I646 HydrophobicContact SD-CD1 3.89Å; M641-I646 HydrophobicContact SD-CG1 4.38Å; D642-I646 WeakPolarHBondContact O-CG1 3.49Å; D642-I646 PolarHBondContact O-N 2.86Å; I646-L654 HydrophobicContact CG2-CB 4.38Å; I646-L654 HydrophobicContact CG2-CD1 4.26Å; I646-L654 HydrophobicContact CG2-CD2 4.07Å; I646-L654 HydrophobicContact CG2-CG 4.49Å; I646-V693 HydrophobicContact CD1-CG1 3.91Å; I646-V693 HydrophobicContact CD1-CG2 4.22Å
647	L	95.6	Very high	92.6	Very high	23 Å²	23	26.1 Å²	26.1	12%	0.12	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	146.9	173.3	-63.7	179.5	0	0	0	111.3	V549 E576 T577 L654 R655 N657	V549-L647 HydrophobicContact CG2-CD1 4.28Å; E576-L647 CarbonylContact O-C 3.54Å; E576-L647 VanDerWaalsContact O-CA 3.26Å; E576-L647 WeakPolarHBondContact O-CA 3.25Å; T577-L647 HydrophobicContact CG2-CD2 4Å; L647-L654 CarbonylContact O-C 3.57Å; L647-L654 VanDerWaalsContact O-CA 3.3Å; L647-L654 WeakPolarHBondContact O-CA 3.35Å; L647-R655 PolarHBondContact N-O 2.94Å; L647-R655 PolarHBondContact O-N 2.73Å; L647-N657 HydrophobicContact CD1-CB 3.97Å; L647-N657 HydrophobicContact CG-CB 4.02Å
648	I	95.3	Very high	92.5	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.3	174.5	-46.8	-163.7	0	0	0	107.7	G575 E576 M578 R581 L654	G575-I648 WeakPolarHBondContact CA-O 3.33Å; E576-I648 PolarHBondContact N-O 2.9Å; E576-I648 PolarHBondContact O-N 3.23Å; M578-I648 HydrophobicContact CB-CD1 3.97Å; M578-I648 HydrophobicContact CB-CG1 4.21Å; M578-I648 HydrophobicContact CE-CD1 4.37Å; M578-I648 HydrophobicContact CG-CD1 4.2Å; R581-I648 HydrophobicContact CB-CD1 4.05Å; R581-I648 HydrophobicContact CG-CD1 4.03Å; I648-L654 HydrophobicContact CB-CD2 4.38Å; I648-L654 HydrophobicContact CD1-CD2 3.89Å; I648-L654 HydrophobicContact CG1-CD2 3.63Å; I648-L654 HydrophobicContact CG2-CD2 4.4Å
649	T	88.8	Confident	92.5	Very high	10 Å²	10	26 Å²	26	6%	0.061	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.4	177.8	60.9	0	0	0	0	110.7	H572 R653 R655	H572-T649 HydrophobicContact CB-CG2 4.4Å; T649-R653 PolarHBondContact N-O 2.92Å; T649-R653 PolarHBondContact OG1-O 3Å; T649-R655 PolarHBondContact OG1-NH1 2.81Å
650	G	82.8	Confident	92.5	Very high	25 Å²	25	23.7 Å²	23.7	26%	0.258	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-147.9	-171.1	0	0	0	0	0	111.5	E452	E452-G650 WeakPolarHBondContact OE1-CA 3.31Å
651	K	83.4	Confident	92.6	Very high	130 Å²	130	23.4 Å²	23.4	57%	0.565	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-46.5	-169.2	-59.7	-175.2	179.9	-177.2	0	114.7	E448	E448-K651 WeakPolarHBondContact OE1-CE 3.42Å; E448-K651 IonicContact OE1-NZ 3.64Å; E448-K651 PolarHBondContact OE1-NZ 3.38Å; E448-K651 IonicContact OE2-NZ 2.84Å; E448-K651 PolarHBondContact OE2-NZ 3.01Å
652	T	89	Confident	92.5	Very high	57 Å²	57	24.7 Å²	24.7	35%	0.35	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.7	-5.3	-168.3	56.1	0	0	0	0	116.5	L616 Q623 L654	L616-T652 HydrophobicContact CD1-CG2 3.8Å; Q623-T652 PolarHBondContact NE2-O 3.09Å; T652-L654 PolarHBondContact O-N 3.11Å
653	R	92.4	Very high	92.5	Very high	93 Å²	93	22.9 Å²	22.9	35%	0.351	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	117.4	-173.2	-179.2	176.9	173.8	-176.2	-3.1	111.3	S546 T649	S546-R653 PolarHBondContact O-NE 3.44Å; S546-R653 PolarHBondContact O-NH2 3.32Å; T649-R653 PolarHBondContact N-O 2.92Å; T649-R653 PolarHBondContact OG1-O 3Å
654	L	96.1	Very high	92.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	152.3	176.2	-60.7	-170.2	0	0	0	112.6	N547 M578 Y620 Q623 L624 I646 L647 I648 T652	N547-L654 WeakPolarHBondContact CA-O 3.38Å; N547-L654 PolarHBondContact ND2-O 2.54Å; M578-L654 HydrophobicContact CE-CD1 3.92Å; M578-L654 HydrophobicContact CE-CD2 3.86Å; Y620-L654 HydrophobicContact CD1-CD1 3.63Å; Y620-L654 HydrophobicContact CD1-CD2 3.73Å; Y620-L654 HydrophobicContact CD1-CG 3.66Å; Y620-L654 HydrophobicContact CE1-CD1 4.45Å; Y620-L654 HydrophobicContact CE1-CD2 3.7Å; Y620-L654 HydrophobicContact CE1-CG 4.09Å; Y620-L654 HydrophobicContact CG-CD1 3.73Å; Y620-L654 HydrophobicContact CG-CD2 4.31Å; Y620-L654 HydrophobicContact CG-CG 4.27Å; Q623-L654 HydrophobicContact CB-CB 4.31Å; Q623-L654 HydrophobicContact CB-CD1 4.4Å; L624-L654 HydrophobicContact CD1-CD1 4.05Å; L624-L654 HydrophobicContact CD2-CD1 3.98Å; L624-L654 HydrophobicContact CG-CD1 3.74Å; I646-L654 HydrophobicContact CG2-CB 4.38Å; I646-L654 HydrophobicContact CG2-CD1 4.26Å; I646-L654 HydrophobicContact CG2-CD2 4.07Å; I646-L654 HydrophobicContact CG2-CG 4.49Å; L647-L654 CarbonylContact O-C 3.57Å; L647-L654 VanDerWaalsContact O-CA 3.3Å; L647-L654 WeakPolarHBondContact O-CA 3.35Å; I648-L654 HydrophobicContact CB-CD2 4.38Å; I648-L654 HydrophobicContact CD1-CD2 3.89Å; I648-L654 HydrophobicContact CG1-CD2 3.63Å; I648-L654 HydrophobicContact CG2-CD2 4.4Å; T652-L654 PolarHBondContact O-N 3.11Å
655	R	96.3	Very high	92.4	Very high	25 Å²	25	22 Å²	22	9%	0.094	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.8	157.1	-67.4	174.7	-167.3	75.8	-24.5	111.5	N547 V549 H572 L647 T649	N547-R655 CarbonylContact O-C 3.59Å; N547-R655 VanDerWaalsContact O-CA 3.26Å; N547-R655 WeakPolarHBondContact O-CA 3.46Å; V549-R655 HydrophobicContact CG2-CB 3.8Å; H572-R655 WeakPolarHBondContact CD2-CD 3.48Å; H572-R655 PolarHBondContact CD2-NE 2.79Å; H572-R655 VanDerWaalsContact CD2-NE 3.31Å; H572-R655 WeakPolarHBondContact NE2-CD 3.36Å; H572-R655 PolarHBondContact NE2-NE 2.88Å; L647-R655 PolarHBondContact N-O 2.94Å; L647-R655 PolarHBondContact O-N 2.73Å; T649-R655 PolarHBondContact OG1-NH1 2.81Å
656	V	96.4	Very high	92.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.1	169.2	-174.5	0	0	0	0	109.5	N547 V549 L624 V640 M641 V659	N547-V656 PolarHBondContact O-N 3.45Å; V549-V656 PolarHBondContact N-O 3.29Å; L624-V656 HydrophobicContact CD2-CG2 3.84Å; V640-V656 HydrophobicContact CG2-CG1 3.8Å; M641-V656 HydrophobicContact CE-CG2 4.22Å; V656-V659 HydrophobicContact CG1-CG1 4.05Å
657	N	94.2	Very high	91.6	Very high	12 Å²	12	26.7 Å²	26.7	6%	0.064	14%	0.135	C	C	.	.			trans	-102.1	165.2	176.6	-169.4	10.4	0	0	0	110.7	V549 V640 K645 L647 V659	V549-N657 HydrophobicContact CB-CB 4.46Å; V549-N657 HydrophobicContact CG2-CB 3.86Å; V640-N657 VanDerWaalsContact CG2-O 3.31Å; V640-N657 WeakPolarHBondContact CG2-O 3.46Å; K645-N657 VanDerWaalsContact O-CB 3.3Å; K645-N657 WeakPolarHBondContact O-CB 3.29Å; K645-N657 PolarHBondContact O-N 3.08Å; L647-N657 HydrophobicContact CD1-CB 3.97Å; L647-N657 HydrophobicContact CG-CB 4.02Å; N657-V659 VanDerWaalsContact C-N 3.31Å; N657-V659 PolarHBondContact O-N 3.49Å
658	C	93.8	Very high	90.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	68.2	20.8	176.4	-40.8	0	0	0	0	115.4	F500 R521 Y569 V640 K645 V661	F500-C658 HydrophobicContact CZ-CB 3.75Å; R521-C658 PolarHBondContact NE-SG 3.08Å; Y569-C658 WeakPolarHBondContact OH-CA 3.35Å; V640-C658 HydrophobicContact CG1-CB 4.47Å; K645-C658 HydrophobicContact CD-CB 4.15Å; K645-C658 VanDerWaalsContact CD-SG 3.56Å; C658-V661 HydrophobicContact CB-CG2 4.08Å; C658-V661 WeakPolarHBondContact O-CB 3.34Å; C658-V661 VanDerWaalsContact O-CG2 3.29Å; C658-V661 WeakPolarHBondContact O-CG2 3.48Å; C658-V661 PolarHBondContact O-N 3.29Å
659	V	94.9	Very high	89.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	143.7	172.5	-66.8	0	0	0	0	111.3	W540 I548 Y569 V640 V656 N657 V661	W540-V659 HydrophobicContact CD2-CB 4.25Å; W540-V659 HydrophobicContact CD2-CG2 4.47Å; W540-V659 HydrophobicContact CE3-CB 3.85Å; W540-V659 HydrophobicContact CE3-CG2 3.88Å; W540-V659 HydrophobicContact CH2-CB 3.62Å; W540-V659 HydrophobicContact CH2-CG1 3.82Å; W540-V659 HydrophobicContact CH2-CG2 4.48Å; W540-V659 HydrophobicContact CZ2-CB 4.01Å; W540-V659 HydrophobicContact CZ3-CB 3.53Å; W540-V659 HydrophobicContact CZ3-CG1 3.87Å; W540-V659 HydrophobicContact CZ3-CG2 3.9Å; I548-V659 HydrophobicContact CG2-CG1 4.17Å; I548-V659 HydrophobicContact CG2-CG2 3.97Å; Y569-V659 HydrophobicContact CE1-CG2 4.12Å; Y569-V659 PolarHBondContact OH-O 3.5Å; V640-V659 HydrophobicContact CG2-CG1 4.28Å; V656-V659 HydrophobicContact CG1-CG1 4.05Å; N657-V659 VanDerWaalsContact C-N 3.31Å; N657-V659 PolarHBondContact O-N 3.49Å; V659-V661 VanDerWaalsContact C-N 3.29Å; V659-V661 PolarHBondContact O-N 3.2Å
660	G	93.1	Very high	88.3	Confident	1 Å²	1	37 Å²	37	1%	0.01	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-9.6	-176.1	0	0	0	0	0	116.5	W540 D663 V664	W540-G660 VanDerWaalsContact CD1-CA 3.48Å; W540-G660 VanDerWaalsContact NE1-CA 3.27Å; G660-D663 PolarHBondContact O-N 2.99Å; G660-V664 PolarHBondContact O-N 3.46Å
661	V	94	Very high	87.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-50.5	180	174.4	0	0	0	0	111.7	F500 I523 F567 Y569 C658 V659 D663 V664 L665	F500-V661 HydrophobicContact CD1-CB 4.48Å; F500-V661 HydrophobicContact CD1-CG1 3.67Å; F500-V661 HydrophobicContact CE1-CB 3.94Å; F500-V661 HydrophobicContact CE1-CG1 3.58Å; F500-V661 HydrophobicContact CG-CG1 4.29Å; F500-V661 HydrophobicContact CZ-CB 4.36Å; F500-V661 HydrophobicContact CZ-CG1 4.12Å; I523-V661 HydrophobicContact CD1-CG1 4.38Å; F567-V661 HydrophobicContact CD1-CG2 4.1Å; F567-V661 HydrophobicContact CD2-CG2 4.25Å; F567-V661 HydrophobicContact CE1-CB 4.44Å; F567-V661 HydrophobicContact CE1-CG2 4.08Å; F567-V661 HydrophobicContact CE2-CG1 4.4Å; F567-V661 HydrophobicContact CE2-CG2 4.21Å; F567-V661 HydrophobicContact CG-CG2 4.21Å; F567-V661 HydrophobicContact CZ-CB 4.29Å; F567-V661 HydrophobicContact CZ-CG1 4.34Å; F567-V661 HydrophobicContact CZ-CG2 4.13Å; Y569-V661 VanDerWaalsContact OH-CG2 3.32Å; Y569-V661 WeakPolarHBondContact OH-CG2 3.41Å; C658-V661 HydrophobicContact CB-CG2 4.08Å; C658-V661 WeakPolarHBondContact O-CB 3.34Å; C658-V661 VanDerWaalsContact O-CG2 3.29Å; C658-V661 WeakPolarHBondContact O-CG2 3.48Å; C658-V661 PolarHBondContact O-N 3.29Å; V659-V661 VanDerWaalsContact C-N 3.29Å; V659-V661 PolarHBondContact O-N 3.2Å; V661-D663 VanDerWaalsContact C-N 3.27Å; V661-D663 PolarHBondContact O-N 2.88Å; V661-V664 PolarHBondContact O-N 3.16Å; V661-L665 HydrophobicContact CG1-CD1 3.44Å; V661-L665 VanDerWaalsContact CG1-CD1 3.44Å; V661-L665 HydrophobicContact CG1-CG 3.94Å; V661-L665 WeakPolarHBondContact O-CB 3.49Å; V661-L665 WeakPolarHBondContact O-CG 3.48Å; V661-L665 PolarHBondContact O-N 3.26Å
662	F	92.6	Very high	85.9	Confident	35 Å²	35	41.1 Å²	41.1	15%	0.154	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-28.8	-179.7	-76.6	-61.6	0	0	0	113.2	N499 F500 R639 V640 V664 L665 T666	N499-F662 WeakPolarHBondContact O-CE1 3.19Å; N499-F662 WeakPolarHBondContact O-CZ 3.47Å; F500-F662 HydrophobicContact CD1-CD1 4.44Å; F500-F662 AromaticContact CD1-CE1 3.93Å; F500-F662 HydrophobicContact CD1-CE1 3.93Å; F500-F662 HydrophobicContact CD1-CE2 4.13Å; F500-F662 AromaticContact CD1-CZ 3.77Å; F500-F662 HydrophobicContact CD1-CZ 3.77Å; F500-F662 HydrophobicContact CE1-CD2 4.38Å; F500-F662 AromaticContact CE1-CE2 3.99Å; F500-F662 HydrophobicContact CE1-CE2 3.99Å; F500-F662 HydrophobicContact CE1-CZ 4.1Å; R639-F662 HydrophobicContact CB-CB 4.16Å; R639-F662 HydrophobicContact CB-CD2 3.78Å; R639-F662 HydrophobicContact CB-CG 4.37Å; R639-F662 PolarHBondContact NH1-O 3.45Å; R639-F662 WeakPolarHBondContact O-CD2 3.4Å; R639-F662 WeakPolarHBondContact O-CE2 3.44Å; V640-F662 HydrophobicContact CG1-CD2 3.59Å; V640-F662 HydrophobicContact CG1-CE2 3.73Å; F662-V664 PolarHBondContact O-N 2.85Å; F662-L665 PolarHBondContact O-N 3.03Å; F662-T666 HydrophobicContact CD1-CG2 4.01Å; F662-T666 WeakPolarHBondContact O-CB 3.23Å; F662-T666 PolarHBondContact O-N 3.49Å; F662-T666 PolarHBondContact O-OG1 3.07Å
663	D	91.2	Very high	84.7	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.027	23%	0.232	C	C	.	.	H	α-helix	trans	-69.9	-18.4	-179.6	-56.6	-45.3	0	0	0	113	L536 W540 R639 G660 V661	L536-D663 HydrophobicContact CB-CB 4.27Å; L536-D663 HydrophobicContact CD1-CB 3.86Å; W540-D663 PolarHBondContact NE1-OD2 2.89Å; R639-D663 VanDerWaalsContact CD-OD1 3.26Å; R639-D663 WeakPolarHBondContact CD-OD1 3.17Å; R639-D663 IonicContact CZ-OD1 2.77Å; R639-D663 IonicContact NE-OD1 3.82Å; R639-D663 IonicContact NH1-OD1 3.69Å; R639-D663 PolarHBondContact NH1-OD1 3.21Å; G660-D663 PolarHBondContact O-N 2.99Å; V661-D663 VanDerWaalsContact C-N 3.27Å; V661-D663 PolarHBondContact O-N 2.88Å
664	V	91.5	Very high	83.8	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-97.7	-46.6	168.6	-179.5	0	0	0	0	111.2	L528 C533 V537 L565 F567 G660 V661 F662 T666 F667	L528-V664 HydrophobicContact CD1-CG1 3.8Å; C533-V664 HydrophobicContact CB-CG2 4.49Å; V537-V664 HydrophobicContact CG2-CG2 3.65Å; L565-V664 HydrophobicContact CD2-CG1 3.74Å; F567-V664 HydrophobicContact CE1-CB 4.39Å; F567-V664 HydrophobicContact CE1-CG2 4.12Å; F567-V664 HydrophobicContact CZ-CB 4.04Å; F567-V664 HydrophobicContact CZ-CG1 4.45Å; F567-V664 HydrophobicContact CZ-CG2 4.26Å; G660-V664 PolarHBondContact O-N 3.46Å; V661-V664 PolarHBondContact O-N 3.16Å; F662-V664 PolarHBondContact O-N 2.85Å; V664-T666 PolarHBondContact O-N 3.16Å; V664-F667 PolarHBondContact O-N 2.89Å
665	L	90.3	Very high	82.6	Confident	18 Å²	18	46.6 Å²	46.6	9%	0.094	25%	0.253	C	S	.	.	H	α-helix	trans	-70.9	-24.9	-174.2	-66.9	-173.1	0	0	0	114.8	F500 Y502 I523 F526 L565 V661 F662	F500-L665 HydrophobicContact CB-CD1 4.26Å; Y502-L665 HydrophobicContact CD2-CD1 3.94Å; Y502-L665 HydrophobicContact CD2-CD2 4.39Å; Y502-L665 HydrophobicContact CE2-CD1 4.25Å; Y502-L665 HydrophobicContact CE2-CD2 4.2Å; I523-L665 HydrophobicContact CD1-CD1 4.36Å; I523-L665 HydrophobicContact CG1-CD1 4.47Å; I523-L665 HydrophobicContact CG1-CD2 4.37Å; I523-L665 HydrophobicContact CG2-CD1 4.46Å; I523-L665 HydrophobicContact CG2-CD2 4.16Å; F526-L665 HydrophobicContact CD1-CD2 4.47Å; F526-L665 HydrophobicContact CD2-CD2 3.56Å; F526-L665 HydrophobicContact CE1-CD2 4.31Å; F526-L665 HydrophobicContact CE2-CD2 3.39Å; F526-L665 HydrophobicContact CG-CD2 4.11Å; F526-L665 HydrophobicContact CZ-CD2 3.79Å; L565-L665 HydrophobicContact CD2-CD2 4.07Å; V661-L665 HydrophobicContact CG1-CD1 3.44Å; V661-L665 VanDerWaalsContact CG1-CD1 3.44Å; V661-L665 HydrophobicContact CG1-CG 3.94Å; V661-L665 WeakPolarHBondContact O-CB 3.49Å; V661-L665 WeakPolarHBondContact O-CG 3.48Å; V661-L665 PolarHBondContact O-N 3.26Å; F662-L665 PolarHBondContact O-N 3.03Å
666	T	87.8	Confident	81.9	Confident	65 Å²	65	48.9 Å²	48.9	40%	0.399	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	18.5	179.1	65.3	0	0	0	0	112.7	R639 F662 V664 D668	R639-T666 PolarHBondContact NH1-OG1 2.87Å; R639-T666 PolarHBondContact NH2-OG1 3.43Å; F662-T666 HydrophobicContact CD1-CG2 4.01Å; F662-T666 WeakPolarHBondContact O-CB 3.23Å; F662-T666 PolarHBondContact O-N 3.49Å; F662-T666 PolarHBondContact O-OG1 3.07Å; V664-T666 PolarHBondContact O-N 3.16Å; T666-D668 PolarHBondContact O-N 3.02Å
667	F	84.4	Confident	81.3	Confident	52 Å²	52	51.9 Å²	51.9	23%	0.228	29%	0.292	C	S	.	.			trans	-69.4	102.8	178.7	-173	-91.5	0	0	0	111.1	K532 C533 V664 N669 P675	K532-F667 HydrophobicContact CB-CE1 3.89Å; K532-F667 HydrophobicContact CB-CZ 3.59Å; K532-F667 HydrophobicContact CD-CZ 4.44Å; C533-F667 HydrophobicContact CB-CB 3.94Å; C533-F667 HydrophobicContact CB-CD1 4.19Å; C533-F667 HydrophobicContact CB-CD2 3.57Å; C533-F667 HydrophobicContact CB-CE2 4.11Å; C533-F667 HydrophobicContact CB-CG 3.61Å; V664-F667 PolarHBondContact O-N 2.89Å; F667-N669 HydrophobicContact CE1-CB 4.5Å; F667-P675 HydrophobicContact CE2-CB 4.17Å
668	D	76.8	Confident	80.9	Confident	75 Å²	75	53.4 Å²	53.4	40%	0.401	30%	0.3	S	S	.	.			trans	-90.8	127	173.5	-172.7	6.8	0	0	0	111	T666 S670	T666-D668 PolarHBondContact O-N 3.02Å; D668-S670 VanDerWaalsContact CG-OG 3.26Å; D668-S670 VanDerWaalsContact OD1-CB 3.29Å; D668-S670 WeakPolarHBondContact OD1-CB 3.42Å; D668-S670 PolarHBondContact OD1-N 3.14Å; D668-S670 PolarHBondContact OD1-OG 3.33Å; D668-S670 PolarHBondContact OD2-OG 2.93Å
669	N	68.2	Low	80.8	Confident	82 Å²	82	53.9 Å²	53.9	44%	0.439	30%	0.302	S	S	.	.	S	Bend	trans	-86.2	-10.2	174.8	-173.7	79	0	0	0	112.8	N530 K532 F667	N530-N669 WeakPolarHBondContact ND2-CB 3.29Å; N530-N669 VanDerWaalsContact ND2-CG 3.3Å; N530-N669 PolarHBondContact ND2-OD1 2.88Å; K532-N669 PolarHBondContact NZ-OD1 3.43Å; F667-N669 HydrophobicContact CE1-CB 4.5Å
670	S	66.2	Low	80.5	Confident	96 Å²	96	56 Å²	56	67%	0.671	32%	0.319	S	S	*	.	S	Bend	trans	-74.5	-30.3	175.4	91.9	0	0	0	0	112.3	D668 N672	D668-S670 VanDerWaalsContact CG-OG 3.26Å; D668-S670 VanDerWaalsContact OD1-CB 3.29Å; D668-S670 WeakPolarHBondContact OD1-CB 3.42Å; D668-S670 PolarHBondContact OD1-N 3.14Å; D668-S670 PolarHBondContact OD1-OG 3.33Å; D668-S670 PolarHBondContact OD2-OG 2.93Å; S670-N672 VanDerWaalsContact C-N 3.31Å; S670-N672 PolarHBondContact O-N 3.27Å
671	Q	60.6	Low	80.5	Confident	95 Å²	95	61.8 Å²	61.8	44%	0.444	35%	0.346	S	S	.	.	S	Bend	trans	-79.8	76.5	-176.8	-69	-173.8	36.7	0	0	112.6	N673 L678	Q671-N673 VanDerWaalsContact C-N 3.34Å; Q671-N673 PolarHBondContact O-N 3.17Å; Q671-N673 VanDerWaalsContact O-N 3.09Å; Q671-L678 VanDerWaalsContact OE1-CD1 3.27Å
672	N	54.8	Low	80.4	Confident	148 Å²	148	64.9 Å²	64.9	79%	0.791	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	37.9	151.9	-154.1	17.8	0	0	0	116.4	S670 N674	S670-N672 VanDerWaalsContact C-N 3.31Å; S670-N672 PolarHBondContact O-N 3.27Å; N672-N674 PolarHBondContact O-N 2.69Å
673	N	63.1	Low	80.5	Confident	128 Å²	128	65 Å²	65	68%	0.684	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	-12.8	173.3	-86.9	-39.3	0	0	0	118.8	K532 Q671	K532-N673 PolarHBondContact NZ-OD1 3.44Å; Q671-N673 VanDerWaalsContact C-N 3.34Å; Q671-N673 PolarHBondContact O-N 3.17Å; Q671-N673 VanDerWaalsContact O-N 3.09Å
674	N	73.6	Confident	80.7	Confident	86 Å²	86	66.1 Å²	66.1	46%	0.46	36%	0.364	S	S	.	.			trans	-105.5	109	-174.6	-177.3	-3.1	0	0	0	111.8	N672 L676 A677	N672-N674 PolarHBondContact O-N 2.69Å; N674-L676 PolarHBondContact O-N 3.13Å; N674-L676 VanDerWaalsContact O-N 3.07Å; N674-L676 WeakPolarHBondContact OD1-CB 3.39Å; N674-L676 PolarHBondContact OD1-N 3.05Å; N674-A677 HydrophobicContact CB-CB 4.46Å; N674-A677 PolarHBondContact O-N 3.39Å
675	P	70.8	Confident	80.8	Confident	51 Å²	51	68 Å²	68	33%	0.331	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.3	179.6	23.6	-33.4	0	0	0	114.7	L536 F667	L536-P675 HydrophobicContact CD1-CB 4Å; L536-P675 HydrophobicContact CD2-CB 4.15Å; L536-P675 HydrophobicContact CG-CB 4.15Å; F667-P675 HydrophobicContact CE2-CB 4.17Å
676	L	82.5	Confident	81	Confident	73 Å²	73	67.2 Å²	67.2	38%	0.382	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-5	-175	-55.3	178.6	0	0	0	113.3	L536 N674 L678 M679	L536-L676 HydrophobicContact CD2-CD2 3.88Å; N674-L676 PolarHBondContact O-N 3.13Å; N674-L676 VanDerWaalsContact O-N 3.07Å; N674-L676 WeakPolarHBondContact OD1-CB 3.39Å; N674-L676 PolarHBondContact OD1-N 3.05Å; L676-L678 VanDerWaalsContact C-N 3.35Å; L676-L678 PolarHBondContact O-N 2.8Å; L676-M679 HydrophobicContact CD2-CE 3.73Å; L676-M679 WeakPolarHBondContact O-CB 3.12Å; L676-M679 PolarHBondContact O-N 3.42Å
677	A	83.4	Confident	81.4	Confident	63 Å²	63	64.2 Å²	64.2	52%	0.521	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-39.3	-172	0	0	0	0	0	114.1	N674	N674-A677 HydrophobicContact CB-CB 4.46Å; N674-A677 PolarHBondContact O-N 3.39Å
678	L	86.4	Confident	81.9	Confident	43 Å²	43	64 Å²	64	23%	0.225	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-1.1	177.4	-88.4	65.7	0	0	0	113.3	Q671 L676 A680 Q681 Y682	Q671-L678 VanDerWaalsContact OE1-CD1 3.27Å; L676-L678 VanDerWaalsContact C-N 3.35Å; L676-L678 PolarHBondContact O-N 2.8Å; L678-A680 VanDerWaalsContact C-N 3.32Å; L678-A680 PolarHBondContact O-N 2.6Å; L678-Q681 WeakPolarHBondContact O-CB 3.19Å; L678-Q681 PolarHBondContact O-N 3.15Å; L678-Y682 HydrophobicContact CB-CD2 4.34Å; L678-Y682 HydrophobicContact CB-CE2 3.79Å; L678-Y682 PolarHBondContact O-N 3.42Å; L678-Y682 VanDerWaalsContact O-N 3.13Å
679	M	90.1	Very high	82.8	Confident	11 Å²	11	62 Å²	62	5%	0.054	35%	0.351	C	S	.	.	H	α-helix	trans	-60.4	-41.6	-167.9	-162.5	64.4	72.9	0	0	112.4	L536 G635 L636 A637 L676 Q681 Y682 Q683	L536-M679 HydrophobicContact CD2-CE 4.33Å; G635-M679 WeakPolarHBondContact O-CG 3.47Å; L636-M679 VanDerWaalsContact C-SD 3.51Å; L636-M679 HydrophobicContact CD2-CE 4.05Å; A637-M679 HydrophobicContact CB-CG 4.49Å; A637-M679 HydrophobicContact CB-SD 3.6Å; A637-M679 PolarHBondContact N-SD 3.27Å; L676-M679 HydrophobicContact CD2-CE 3.73Å; L676-M679 WeakPolarHBondContact O-CB 3.12Å; L676-M679 PolarHBondContact O-N 3.42Å; M679-Q681 PolarHBondContact O-N 3.08Å; M679-Y682 PolarHBondContact O-N 3.35Å; M679-Y682 VanDerWaalsContact O-N 3.13Å; M679-Y682 HydrophobicContact SD-CD2 4.4Å; M679-Q683 VanDerWaalsContact O-CG 3.32Å; M679-Q683 WeakPolarHBondContact O-CG 3.41Å; M679-Q683 PolarHBondContact O-N 3.15Å
680	A	90.5	Very high	84.1	Confident	43 Å²	43	58.2 Å²	58.2	36%	0.355	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-30.9	177.5	0	0	0	0	0	112.9	L678 Q684 M739	L678-A680 VanDerWaalsContact C-N 3.32Å; L678-A680 PolarHBondContact O-N 2.6Å; A680-Q684 PolarHBondContact O-N 3.41Å; A680-M739 HydrophobicContact CB-CE 3.68Å; A680-M739 HydrophobicContact CB-SD 4.3Å; A680-M739 VanDerWaalsContact O-CE 3.24Å; A680-M739 WeakPolarHBondContact O-CE 3.4Å
681	Q	91.1	Very high	85.5	Confident	124 Å²	124	53.6 Å²	53.6	58%	0.579	30%	0.298	S	S	*	.	H	α-helix	trans	-72.2	-42.9	174.2	-59.3	-178.6	-2.2	0	0	111.1	L678 M679 Q683 Q684 A685	L678-Q681 WeakPolarHBondContact O-CB 3.19Å; L678-Q681 PolarHBondContact O-N 3.15Å; M679-Q681 PolarHBondContact O-N 3.08Å; Q681-Q683 VanDerWaalsContact C-N 3.28Å; Q681-Q683 PolarHBondContact O-N 3.49Å; Q681-Q684 PolarHBondContact O-N 3.29Å; Q681-Q684 VanDerWaalsContact O-N 3.12Å; Q681-A685 PolarHBondContact O-N 2.81Å
682	Y	93.4	Very high	87.1	Confident	64 Å²	64	53.2 Å²	53.2	25%	0.251	30%	0.295	S	S	.	.	H	α-helix	trans	-62.8	-34.7	174.2	-60.7	-35	0	0	0	112.2	A637 R639 L678 M679 Q684 A685 D686	A637-Y682 VanDerWaalsContact CB-CB 3.43Å; R639-Y682 HydrophobicContact CG-CG 4.36Å; R639-Y682 VanDerWaalsContact CZ-CE2 3.45Å; R639-Y682 VanDerWaalsContact NH2-CZ 3.27Å; R639-Y682 PolarHBondContact NH2-OH 3.11Å; L678-Y682 HydrophobicContact CB-CD2 4.34Å; L678-Y682 HydrophobicContact CB-CE2 3.79Å; L678-Y682 PolarHBondContact O-N 3.42Å; L678-Y682 VanDerWaalsContact O-N 3.13Å; M679-Y682 PolarHBondContact O-N 3.35Å; M679-Y682 VanDerWaalsContact O-N 3.13Å; M679-Y682 HydrophobicContact SD-CD2 4.4Å; Y682-Q684 VanDerWaalsContact C-N 3.35Å; Y682-Q684 PolarHBondContact O-N 2.9Å; Y682-A685 WeakPolarHBondContact O-CB 3.42Å; Y682-A685 PolarHBondContact O-N 2.82Å; Y682-D686 PolarHBondContact O-N 3.2Å
683	Q	94.8	Very high	89	Confident	38 Å²	38	46.3 Å²	46.3	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-65	-33.2	172.5	-68.8	178.6	-12.5	0	0	113	H632 L636 A637 M679 Q681 L687	H632-Q683 PolarHBondContact CE1-O 2.6Å; H632-Q683 PolarHBondContact O-NE2 3Å; L636-Q683 PolarHBondContact O-NE2 3.3Å; A637-Q683 HydrophobicContact CB-CG 3.99Å; M679-Q683 VanDerWaalsContact O-CG 3.32Å; M679-Q683 WeakPolarHBondContact O-CG 3.41Å; M679-Q683 PolarHBondContact O-N 3.15Å; Q681-Q683 VanDerWaalsContact C-N 3.28Å; Q681-Q683 PolarHBondContact O-N 3.49Å; Q683-L687 PolarHBondContact O-N 3.47Å
684	Q	93.9	Very high	90.6	Very high	29 Å²	29	40.3 Å²	40.3	14%	0.136	23%	0.226	C	C	.	.	H	α-helix	trans	-69.2	-40.1	169.7	-60.7	-46.6	-67.1	0	0	111.8	A680 Q681 Y682 D686 L687 I688 M739 R740	A680-Q684 PolarHBondContact O-N 3.41Å; Q681-Q684 PolarHBondContact O-N 3.29Å; Q681-Q684 VanDerWaalsContact O-N 3.12Å; Y682-Q684 VanDerWaalsContact C-N 3.35Å; Y682-Q684 PolarHBondContact O-N 2.9Å; Q684-D686 VanDerWaalsContact C-N 3.29Å; Q684-D686 PolarHBondContact O-N 2.98Å; Q684-L687 PolarHBondContact O-N 3.1Å; Q684-I688 WeakPolarHBondContact O-CG1 3.48Å; Q684-I688 PolarHBondContact O-N 3.37Å; Q684-I688 VanDerWaalsContact O-N 3.14Å; Q684-M739 HydrophobicContact CG-CE 3.66Å; Q684-R740 PolarHBondContact NE2-O 2.72Å
685	A	93.6	Very high	91.6	Very high	44 Å²	44	36.3 Å²	36.3	36%	0.364	21%	0.205	S	C	.	.	H	α-helix	trans	-63.2	-34.5	176.9	0	0	0	0	0	112.5	Q681 Y682 I688 S689	Q681-A685 PolarHBondContact O-N 2.81Å; Y682-A685 WeakPolarHBondContact O-CB 3.42Å; Y682-A685 PolarHBondContact O-N 2.82Å; A685-I688 PolarHBondContact O-N 3.5Å; A685-S689 VanDerWaalsContact O-CB 3.28Å; A685-S689 WeakPolarHBondContact O-CB 3.31Å; A685-S689 PolarHBondContact O-N 3.04Å; A685-S689 PolarHBondContact O-OG 3.32Å
686	D	96	Very high	92.6	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.011	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-45.1	172	-72.5	-24.6	0	0	0	112.6	L628 H632 A637 C638 R639 Y682 Q684 S689 L690	L628-D686 HydrophobicContact CD1-CB 4.37Å; L628-D686 HydrophobicContact CD2-CB 3.98Å; H632-D686 IonicContact CD2-OD2 2.73Å; H632-D686 IonicContact CE1-OD2 3.14Å; H632-D686 IonicContact NE2-OD2 2.72Å; H632-D686 PolarHBondContact NE2-OD2 2.71Å; A637-D686 WeakPolarHBondContact CA-OD2 3.4Å; C638-D686 WeakPolarHBondContact CB-OD1 3.47Å; C638-D686 PolarHBondContact N-OD1 2.8Å; C638-D686 PolarHBondContact N-OD2 2.78Å; R639-D686 PolarHBondContact N-OD1 2.82Å; Y682-D686 PolarHBondContact O-N 3.2Å; Q684-D686 VanDerWaalsContact C-N 3.29Å; Q684-D686 PolarHBondContact O-N 2.98Å; D686-S689 PolarHBondContact O-N 3.23Å; D686-L690 PolarHBondContact O-N 2.89Å
687	L	95.4	Very high	93.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-44.1	179.5	-68.2	173.8	0	0	0	111.4	Q683 Q684 S689 L690 G691 L732 R740 V742	Q683-L687 PolarHBondContact O-N 3.47Å; Q684-L687 PolarHBondContact O-N 3.1Å; L687-S689 VanDerWaalsContact C-N 3.28Å; L687-S689 PolarHBondContact O-N 3.16Å; L687-L690 PolarHBondContact O-N 2.94Å; L687-G691 PolarHBondContact O-N 3Å; L687-L732 HydrophobicContact CB-CD2 4.07Å; L687-L732 HydrophobicContact CD2-CD2 4.12Å; L687-R740 HydrophobicContact CD1-CB 3.61Å; L687-V742 HydrophobicContact CD2-CG2 3.83Å
688	I	94.6	Very high	93.6	Very high	47 Å²	47	27.4 Å²	27.4	24%	0.241	15%	0.146	C	C	.	.	H	α-helix	trans	-62.8	-38	174.8	-64.6	165.7	0	0	0	110.6	Q684 A685 G691 K692 L732 L733	Q684-I688 WeakPolarHBondContact O-CG1 3.48Å; Q684-I688 PolarHBondContact O-N 3.37Å; Q684-I688 VanDerWaalsContact O-N 3.14Å; A685-I688 PolarHBondContact O-N 3.5Å; I688-G691 PolarHBondContact O-N 3.11Å; I688-K692 WeakPolarHBondContact O-CG 3.48Å; I688-K692 PolarHBondContact O-N 3.45Å; I688-L732 WeakPolarHBondContact CA-O 3.46Å; I688-L733 HydrophobicContact CG2-CD2 4.4Å
689	S	94.9	Very high	93.7	Very high	35 Å²	35	25.4 Å²	25.4	25%	0.245	14%	0.136	C	C	.	.	H	α-helix	trans	-71.2	-37.9	179.5	-56.6	0	0	0	0	111.9	A685 D686 L687 G691 K692 V693	A685-S689 VanDerWaalsContact O-CB 3.28Å; A685-S689 WeakPolarHBondContact O-CB 3.31Å; A685-S689 PolarHBondContact O-N 3.04Å; A685-S689 PolarHBondContact O-OG 3.32Å; D686-S689 PolarHBondContact O-N 3.23Å; L687-S689 VanDerWaalsContact C-N 3.28Å; L687-S689 PolarHBondContact O-N 3.16Å; S689-G691 VanDerWaalsContact C-N 3.33Å; S689-G691 PolarHBondContact O-N 2.75Å; S689-K692 PolarHBondContact O-N 2.69Å; S689-V693 WeakPolarHBondContact O-CG2 3.37Å; S689-V693 PolarHBondContact O-N 3.48Å
690	L	96.2	Very high	93.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-58.3	-45.6	167.8	179	64.2	0	0	0	110.9	L624 L628 M641 D686 L687 K692 V693 V694 L732	L624-L690 HydrophobicContact CB-CD1 3.78Å; L624-L690 HydrophobicContact CD1-CD1 3.82Å; L624-L690 HydrophobicContact CG-CD1 4.46Å; L628-L690 HydrophobicContact CD1-CB 4.32Å; L628-L690 HydrophobicContact CD1-CD2 4.05Å; M641-L690 HydrophobicContact CG-CB 4.33Å; M641-L690 HydrophobicContact SD-CD1 4.45Å; D686-L690 PolarHBondContact O-N 2.89Å; L687-L690 PolarHBondContact O-N 2.94Å; L690-K692 VanDerWaalsContact C-N 3.3Å; L690-K692 PolarHBondContact O-N 2.8Å; L690-V693 PolarHBondContact O-N 3.39Å; L690-V694 HydrophobicContact CD1-CG2 4.15Å; L690-V694 HydrophobicContact CG-CG2 4.39Å; L690-V694 VanDerWaalsContact O-CG2 3.28Å; L690-V694 WeakPolarHBondContact O-CG2 3.18Å; L690-V694 PolarHBondContact O-N 3.35Å; L690-L732 HydrophobicContact CD2-CD1 4.16Å; L690-L732 HydrophobicContact CG-CD1 4.11Å
691	G	95.4	Very high	93.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-56.5	-41.7	175.3	0	0	0	0	0	113	L687 I688 S689 L695	L687-G691 PolarHBondContact O-N 3Å; I688-G691 PolarHBondContact O-N 3.11Å; S689-G691 VanDerWaalsContact C-N 3.33Å; S689-G691 PolarHBondContact O-N 2.75Å; G691-L695 WeakPolarHBondContact O-CB 3.08Å; G691-L695 PolarHBondContact O-N 2.82Å
692	K	94.6	Very high	93.2	Very high	87 Å²	87	20.7 Å²	20.7	38%	0.378	11%	0.108	S	C	.	.	H	α-helix	trans	-66.6	-43.4	175.9	-69.2	172.9	178.7	175.1	0	112.7	I688 S689 L690 L695 A696 I705 L733	I688-K692 WeakPolarHBondContact O-CG 3.48Å; I688-K692 PolarHBondContact O-N 3.45Å; S689-K692 PolarHBondContact O-N 2.69Å; L690-K692 VanDerWaalsContact C-N 3.3Å; L690-K692 PolarHBondContact O-N 2.8Å; K692-L695 PolarHBondContact O-N 3.38Å; K692-A696 WeakPolarHBondContact O-CB 3.46Å; K692-A696 PolarHBondContact O-N 3.23Å; K692-I705 HydrophobicContact CB-CD1 4.44Å; K692-I705 HydrophobicContact CB-CG1 4.41Å; K692-I705 HydrophobicContact CB-CG2 4.05Å; K692-I705 HydrophobicContact CD-CG2 3.85Å; K692-I705 HydrophobicContact CG-CG2 3.9Å; K692-L733 HydrophobicContact CG-CD2 3.82Å
693	V	95.4	Very high	92.7	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-60.6	-46	175.6	169.9	0	0	0	0	110.7	M578 L624 M641 P643 I646 S689 L690 A696 L697	M578-V693 HydrophobicContact SD-CG1 3.85Å; L624-V693 HydrophobicContact CD1-CG1 4.4Å; M641-V693 HydrophobicContact CG-CG2 4.38Å; P643-V693 HydrophobicContact CG-CG2 4.27Å; I646-V693 HydrophobicContact CD1-CG1 3.91Å; I646-V693 HydrophobicContact CD1-CG2 4.22Å; S689-V693 WeakPolarHBondContact O-CG2 3.37Å; S689-V693 PolarHBondContact O-N 3.48Å; L690-V693 PolarHBondContact O-N 3.39Å; V693-A696 PolarHBondContact O-N 2.88Å; V693-L697 HydrophobicContact CG1-CD1 3.98Å; V693-L697 VanDerWaalsContact O-CG 3.31Å; V693-L697 WeakPolarHBondContact O-CG 3.1Å; V693-L697 PolarHBondContact O-N 3.45Å
694	V	96.1	Very high	91.9	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-65.7	-42.1	179.4	176.2	0	0	0	0	111.6	I617 I621 L690 L697 A698 L725 I729	I617-V694 HydrophobicContact CG2-CG1 4.07Å; I621-V694 HydrophobicContact CD1-CG1 3.89Å; I621-V694 HydrophobicContact CD1-CG2 4.18Å; I621-V694 HydrophobicContact CG1-CG1 4.27Å; I621-V694 HydrophobicContact CG1-CG2 3.63Å; L690-V694 HydrophobicContact CD1-CG2 4.15Å; L690-V694 HydrophobicContact CG-CG2 4.39Å; L690-V694 VanDerWaalsContact O-CG2 3.28Å; L690-V694 WeakPolarHBondContact O-CG2 3.18Å; L690-V694 PolarHBondContact O-N 3.35Å; V694-L697 PolarHBondContact O-N 2.94Å; V694-A698 WeakPolarHBondContact O-CB 3.32Å; V694-A698 PolarHBondContact O-N 3.23Å; V694-L725 HydrophobicContact CG1-CD1 3.67Å; V694-I729 HydrophobicContact CB-CG1 4.34Å; V694-I729 HydrophobicContact CG1-CD1 3.94Å; V694-I729 HydrophobicContact CG1-CG1 3.64Å
695	L	94.4	Very high	91.4	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-62.5	-43.7	175	-179.3	60	0	0	0	112	G691 K692 L697 A698 C699 G704 L710 A713 M714 V717 I729 L733	G691-L695 WeakPolarHBondContact O-CB 3.08Å; G691-L695 PolarHBondContact O-N 2.82Å; K692-L695 PolarHBondContact O-N 3.38Å; L695-L697 PolarHBondContact O-N 3.3Å; L695-A698 PolarHBondContact O-N 3.3Å; L695-C699 PolarHBondContact O-N 2.85Å; L695-G704 WeakPolarHBondContact CD2-O 3.48Å; L695-L710 HydrophobicContact CD2-CD1 3.48Å; L695-L710 VanDerWaalsContact CD2-CD1 3.48Å; L695-A713 HydrophobicContact CD1-CB 3.85Å; L695-A713 HydrophobicContact CD2-CB 4.09Å; L695-A713 HydrophobicContact CG-CB 4.19Å; L695-M714 HydrophobicContact CD1-SD 4.04Å; L695-V717 HydrophobicContact CD1-CG2 3.73Å; L695-I729 HydrophobicContact CB-CG2 4.16Å; L695-I729 HydrophobicContact CD1-CG2 4.26Å; L695-L733 HydrophobicContact CB-CD1 4.47Å; L695-L733 HydrophobicContact CD2-CD1 3.81Å
696	A	92.8	Very high	91	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.4	-41.8	177.9	0	0	0	0	0	112.3	F583 K692 V693 C699 N700 S701 L702 I705	F583-A696 HydrophobicContact CE1-CB 3.91Å; F583-A696 WeakPolarHBondContact CE1-O 3.26Å; F583-A696 HydrophobicContact CZ-CB 3.84Å; K692-A696 WeakPolarHBondContact O-CB 3.46Å; K692-A696 PolarHBondContact O-N 3.23Å; V693-A696 PolarHBondContact O-N 2.88Å; A696-C699 PolarHBondContact O-N 3.05Å; A696-N700 VanDerWaalsContact O-CA 3.23Å; A696-N700 WeakPolarHBondContact O-CA 3.33Å; A696-N700 PolarHBondContact O-N 2.97Å; A696-S701 WeakPolarHBondContact CA-O 3.47Å; A696-S701 PolarHBondContact O-N 3.16Å; A696-L702 HydrophobicContact CB-CD2 4.23Å; A696-I705 HydrophobicContact CB-CD1 3.85Å; A696-I705 HydrophobicContact CB-CG1 3.9Å
697	L	93.2	Very high	90.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-62.4	-42.2	173.6	-72	164.3	0	0	0	111.7	M578 F583 L612 Y620 V693 V694 L695 N700	M578-L697 HydrophobicContact CE-CD1 4.14Å; M578-L697 HydrophobicContact CE-CD2 4.49Å; M578-L697 HydrophobicContact CG-CD2 4.27Å; M578-L697 HydrophobicContact SD-CD1 4.04Å; M578-L697 HydrophobicContact SD-CD2 4.09Å; M578-L697 HydrophobicContact SD-CG 4.35Å; F583-L697 HydrophobicContact CE2-CD2 4.13Å; F583-L697 HydrophobicContact CZ-CD2 4.13Å; F583-L697 HydrophobicContact CZ-CG 4.34Å; L612-L697 HydrophobicContact CD1-CB 4.17Å; L612-L697 HydrophobicContact CD1-CD2 3.64Å; Y620-L697 HydrophobicContact CD2-CD1 3.96Å; Y620-L697 HydrophobicContact CD2-CD2 4.34Å; Y620-L697 HydrophobicContact CE2-CD2 4.35Å; V693-L697 HydrophobicContact CG1-CD1 3.98Å; V693-L697 VanDerWaalsContact O-CG 3.31Å; V693-L697 WeakPolarHBondContact O-CG 3.1Å; V693-L697 PolarHBondContact O-N 3.45Å; V694-L697 PolarHBondContact O-N 2.94Å; L695-L697 PolarHBondContact O-N 3.3Å; L697-N700 PolarHBondContact O-N 2.82Å
698	A	92.7	Very high	89.8	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.4	-36.1	178.8	0	0	0	0	0	112.8	I617 V694 L695 N700 V717 Y721 L725 I729	I617-A698 HydrophobicContact CD1-CB 4.23Å; V694-A698 WeakPolarHBondContact O-CB 3.32Å; V694-A698 PolarHBondContact O-N 3.23Å; L695-A698 PolarHBondContact O-N 3.3Å; A698-N700 VanDerWaalsContact C-N 3.34Å; A698-V717 HydrophobicContact CB-CG2 3.85Å; A698-Y721 WeakPolarHBondContact CA-OH 3.48Å; A698-Y721 HydrophobicContact CB-CD2 4.4Å; A698-Y721 HydrophobicContact CB-CE2 3.88Å; A698-Y721 WeakPolarHBondContact O-CE2 3.44Å; A698-Y721 VanDerWaalsContact O-CZ 3.32Å; A698-Y721 PolarHBondContact O-OH 3.12Å; A698-L725 HydrophobicContact CB-CD2 4.49Å; A698-I729 HydrophobicContact CB-CD1 4.46Å
699	C	89.2	Confident	89.4	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-83.2	-8.7	172.9	-64.3	0	0	0	0	114.1	F592 L695 A696 S701	F592-C699 HydrophobicContact CD2-CB 4.05Å; F592-C699 HydrophobicContact CE2-CB 4.39Å; F592-C699 HydrophobicContact CG-CB 4.49Å; L695-C699 PolarHBondContact O-N 2.85Å; A696-C699 PolarHBondContact O-N 3.05Å; C699-S701 PolarHBondContact O-N 2.76Å
700	N	89	Confident	89	Confident	14 Å²	14	39 Å²	39	8%	0.075	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.7	40.4	-163.8	-155.2	19.8	0	0	0	114.1	H582 G610 A696 L697 A698	H582-N700 PolarHBondContact O-OD1 3.49Å; G610-N700 PolarHBondContact O-ND2 3Å; A696-N700 VanDerWaalsContact O-CA 3.23Å; A696-N700 WeakPolarHBondContact O-CA 3.33Å; A696-N700 PolarHBondContact O-N 2.97Å; L697-N700 PolarHBondContact O-N 2.82Å; A698-N700 VanDerWaalsContact C-N 3.34Å
701	S	87.1	Confident	88.6	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.007	21%	0.214	C	C	.	.	S	Bend	trans	-155.4	137.1	-177.3	172.6	0	0	0	0	110.9	D589 A696 C699 A703	D589-S701 VanDerWaalsContact OD1-CB 3.24Å; D589-S701 WeakPolarHBondContact OD1-CB 3.49Å; D589-S701 PolarHBondContact OD1-OG 3.19Å; A696-S701 WeakPolarHBondContact CA-O 3.47Å; A696-S701 PolarHBondContact O-N 3.16Å; C699-S701 PolarHBondContact O-N 2.76Å; S701-A703 VanDerWaalsContact C-N 3.3Å; S701-A703 WeakPolarHBondContact OG-CB 3.29Å; S701-A703 PolarHBondContact OG-N 3Å; S701-A703 VanDerWaalsContact OG-N 3.11Å
702	L	85.1	Confident	88.3	Confident	63 Å²	63	48.5 Å²	48.5	33%	0.33	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-71.7	-22.9	171.8	-67.7	-175.1	0	0	0	112.9	M579 F583 P643 A696 G704 I705	M579-L702 HydrophobicContact CE-CD1 3.86Å; M579-L702 HydrophobicContact SD-CD1 3.67Å; M579-L702 HydrophobicContact SD-CG 4.4Å; F583-L702 HydrophobicContact CD1-CD2 4.19Å; F583-L702 HydrophobicContact CD1-CG 4.1Å; F583-L702 HydrophobicContact CE1-CD2 4.15Å; F583-L702 HydrophobicContact CE1-CG 4.48Å; F583-L702 HydrophobicContact CG-CD2 4.5Å; F583-L702 HydrophobicContact CG-CG 4.44Å; F583-L702 HydrophobicContact CZ-CD2 4.43Å; P643-L702 HydrophobicContact CG-CD2 4.17Å; A696-L702 HydrophobicContact CB-CD2 4.23Å; L702-G704 PolarHBondContact O-N 3.46Å; L702-I705 HydrophobicContact CD2-CD1 3.95Å; L702-I705 WeakPolarHBondContact O-CB 3.44Å; L702-I705 WeakPolarHBondContact O-CG1 3.46Å; L702-I705 PolarHBondContact O-N 3.09Å
703	A	82.6	Confident	88	Confident	17 Å²	17	44.3 Å²	44.3	14%	0.14	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-63.6	-25.3	179.5	0	0	0	0	0	111.9	F592 T593 S701 I705 Q706 N709	F592-A703 HydrophobicContact CD1-CB 3.98Å; F592-A703 HydrophobicContact CE1-CB 3.96Å; T593-A703 HydrophobicContact CG2-CB 4.49Å; S701-A703 VanDerWaalsContact C-N 3.3Å; S701-A703 WeakPolarHBondContact OG-CB 3.29Å; S701-A703 PolarHBondContact OG-N 3Å; S701-A703 VanDerWaalsContact OG-N 3.11Å; A703-I705 PolarHBondContact O-N 3.27Å; A703-Q706 WeakPolarHBondContact O-CB 3.24Å; A703-Q706 PolarHBondContact O-N 3.26Å; A703-Q706 VanDerWaalsContact O-N 3.1Å; A703-Q706 PolarHBondContact O-OE1 3.12Å; A703-N709 VanDerWaalsContact O-CB 3.26Å; A703-N709 WeakPolarHBondContact O-CB 3.33Å
704	G	78.1	Confident	87.8	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-64.1	-15.3	173.4	0	0	0	0	0	115.1	L695 L702 Q706	L695-G704 WeakPolarHBondContact CD2-O 3.48Å; L702-G704 PolarHBondContact O-N 3.46Å; G704-Q706 VanDerWaalsContact C-N 3.35Å
705	I	83.8	Confident	87.5	Confident	56 Å²	56	49.6 Å²	49.6	29%	0.287	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-76.9	-23	174	-56.3	176	0	0	0	111.6	K692 A696 L702 A703	K692-I705 HydrophobicContact CB-CD1 4.44Å; K692-I705 HydrophobicContact CB-CG1 4.41Å; K692-I705 HydrophobicContact CB-CG2 4.05Å; K692-I705 HydrophobicContact CD-CG2 3.85Å; K692-I705 HydrophobicContact CG-CG2 3.9Å; A696-I705 HydrophobicContact CB-CD1 3.85Å; A696-I705 HydrophobicContact CB-CG1 3.9Å; L702-I705 HydrophobicContact CD2-CD1 3.95Å; L702-I705 WeakPolarHBondContact O-CB 3.44Å; L702-I705 WeakPolarHBondContact O-CG1 3.46Å; L702-I705 PolarHBondContact O-N 3.09Å; A703-I705 PolarHBondContact O-N 3.27Å
706	Q	84.1	Confident	87.2	Confident	90 Å²	90	49.5 Å²	49.5	42%	0.421	23%	0.231	S	C	.	.	S	Bend	trans	-69.8	145.7	-173.2	-62.8	169.2	-26.1	0	0	111.7	A703 G704 E708 N709 L710	A703-Q706 WeakPolarHBondContact O-CB 3.24Å; A703-Q706 PolarHBondContact O-N 3.26Å; A703-Q706 VanDerWaalsContact O-N 3.1Å; A703-Q706 PolarHBondContact O-OE1 3.12Å; G704-Q706 VanDerWaalsContact C-N 3.35Å; Q706-E708 VanDerWaalsContact C-N 3.33Å; Q706-E708 HydrophobicContact CB-CG 4.47Å; Q706-E708 PolarHBondContact O-N 2.81Å; Q706-N709 HydrophobicContact CB-CB 4.33Å; Q706-N709 PolarHBondContact O-N 3.49Å; Q706-N709 PolarHBondContact OE1-ND2 3.19Å; Q706-L710 PolarHBondContact O-N 3.28Å
707	R	81.9	Confident	87.2	Confident	230 Å²	230	49.5 Å²	49.5	87%	0.868	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-34.6	-170.2	-170	177.8	177.6	104.1	-1	112.4	N709	R707-N709 VanDerWaalsContact C-N 3.32Å
708	E	85.1	Confident	87.2	Confident	148 Å²	148	52.6 Å²	52.6	69%	0.692	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-31	173.2	60.7	-93.2	-134.6	0	0	113.1	Q706	Q706-E708 VanDerWaalsContact C-N 3.33Å; Q706-E708 HydrophobicContact CB-CG 4.47Å; Q706-E708 PolarHBondContact O-N 2.81Å
709	N	85.6	Confident	87.1	Confident	41 Å²	41	57.2 Å²	57.2	22%	0.219	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-12.1	-173.7	-76.9	-47.9	0	0	0	113.5	F592 A703 Q706 R707 Q711 K712 A713	F592-N709 HydrophobicContact CE1-CB 4.12Å; F592-N709 HydrophobicContact CZ-CB 4.08Å; A703-N709 VanDerWaalsContact O-CB 3.26Å; A703-N709 WeakPolarHBondContact O-CB 3.33Å; Q706-N709 HydrophobicContact CB-CB 4.33Å; Q706-N709 PolarHBondContact O-N 3.49Å; Q706-N709 PolarHBondContact OE1-ND2 3.19Å; R707-N709 VanDerWaalsContact C-N 3.32Å; N709-Q711 VanDerWaalsContact C-N 3.3Å; N709-Q711 PolarHBondContact O-N 2.93Å; N709-K712 WeakPolarHBondContact O-CB 3.39Å; N709-K712 PolarHBondContact O-N 3.15Å; N709-K712 VanDerWaalsContact O-N 3.09Å; N709-A713 WeakPolarHBondContact O-CB 3.36Å; N709-A713 PolarHBondContact O-N 3.34Å
710	L	87.5	Confident	87.1	Confident	63 Å²	63	60.1 Å²	60.1	33%	0.33	29%	0.289	S	S	.	.	H	α-helix	trans	-54.9	-39.7	-175.2	179.6	59	0	0	0	113.4	L695 Q706 A713 M714 L733	L695-L710 HydrophobicContact CD2-CD1 3.48Å; L695-L710 VanDerWaalsContact CD2-CD1 3.48Å; Q706-L710 PolarHBondContact O-N 3.28Å; L710-A713 WeakPolarHBondContact O-CB 3.46Å; L710-A713 PolarHBondContact O-N 2.85Å; L710-M714 HydrophobicContact CD1-CG 4.29Å; L710-M714 WeakPolarHBondContact O-CG 3.2Å; L710-M714 PolarHBondContact O-N 3.39Å; L710-L733 HydrophobicContact CD1-CD1 4.05Å
711	Q	87.6	Confident	87.4	Confident	151 Å²	151	60.6 Å²	60.6	71%	0.706	29%	0.29	S	S	*	.	H	α-helix	trans	-66.2	-45	178	-172.4	64	19.6	0	0	111.7	N709 A713 M714 E715	N709-Q711 VanDerWaalsContact C-N 3.3Å; N709-Q711 PolarHBondContact O-N 2.93Å; Q711-A713 VanDerWaalsContact C-N 3.28Å; Q711-A713 PolarHBondContact O-N 3.49Å; Q711-M714 PolarHBondContact O-N 2.95Å; Q711-E715 PolarHBondContact O-N 2.94Å
712	K	88.1	Confident	87.8	Confident	49 Å²	49	62 Å²	62	21%	0.213	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-36.9	175	-168.6	-168.7	-170.2	-169.7	0	111.5	F592 R595 W597 N709 L716	F592-K712 HydrophobicContact CE2-CD 4.23Å; F592-K712 HydrophobicContact CE2-CG 4.28Å; F592-K712 HydrophobicContact CZ-CB 4.46Å; F592-K712 HydrophobicContact CZ-CD 4.17Å; F592-K712 HydrophobicContact CZ-CG 4.47Å; F592-K712 PolarHBondContact O-NZ 3.34Å; R595-K712 PolarHBondContact O-NZ 3.11Å; R595-K712 VanDerWaalsContact O-NZ 3.13Å; W597-K712 VanDerWaalsContact CD1-CE 3.43Å; N709-K712 WeakPolarHBondContact O-CB 3.39Å; N709-K712 PolarHBondContact O-N 3.15Å; N709-K712 VanDerWaalsContact O-N 3.09Å; K712-L716 PolarHBondContact O-N 3.45Å
713	A	89.3	Confident	88.2	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-47.1	176.3	0	0	0	0	0	111.6	F592 L695 N709 L710 Q711 E715 L716 V717	F592-A713 HydrophobicContact CE2-CB 4.11Å; F592-A713 HydrophobicContact CZ-CB 4.12Å; L695-A713 HydrophobicContact CD1-CB 3.85Å; L695-A713 HydrophobicContact CD2-CB 4.09Å; L695-A713 HydrophobicContact CG-CB 4.19Å; N709-A713 WeakPolarHBondContact O-CB 3.36Å; N709-A713 PolarHBondContact O-N 3.34Å; L710-A713 WeakPolarHBondContact O-CB 3.46Å; L710-A713 PolarHBondContact O-N 2.85Å; Q711-A713 VanDerWaalsContact C-N 3.28Å; Q711-A713 PolarHBondContact O-N 3.49Å; A713-E715 VanDerWaalsContact C-N 3.34Å; A713-E715 PolarHBondContact O-N 3.35Å; A713-L716 PolarHBondContact O-N 3.46Å; A713-V717 WeakPolarHBondContact O-CG2 3.34Å; A713-V717 PolarHBondContact O-N 2.99Å
714	M	91.2	Very high	88.8	Confident	24 Å²	24	64.9 Å²	64.9	12%	0.118	32%	0.319	C	S	.	.	H	α-helix	trans	-68.2	-30.1	176.9	-69	-56.3	-63	0	0	113.5	L695 L710 Q711 T718 K726 I729 L730	L695-M714 HydrophobicContact CD1-SD 4.04Å; L710-M714 HydrophobicContact CD1-CG 4.29Å; L710-M714 WeakPolarHBondContact O-CG 3.2Å; L710-M714 PolarHBondContact O-N 3.39Å; Q711-M714 PolarHBondContact O-N 2.95Å; M714-T718 WeakPolarHBondContact O-CB 3.46Å; M714-T718 PolarHBondContact O-N 3.39Å; M714-T718 PolarHBondContact O-OG1 3.17Å; M714-K726 HydrophobicContact CE-CG 4.08Å; M714-I729 HydrophobicContact CE-CB 4.47Å; M714-I729 HydrophobicContact CE-CG2 4.11Å; M714-I729 HydrophobicContact SD-CB 4.46Å; M714-I729 HydrophobicContact SD-CG2 3.55Å; M714-I729 VanDerWaalsContact SD-CG2 3.55Å; M714-L730 HydrophobicContact CE-CB 4.41Å
715	E	89.7	Confident	89.6	Confident	91 Å²	91	64.9 Å²	64.9	43%	0.425	32%	0.319	S	S	.	.	H	α-helix	trans	-65	-49.8	170.1	-174.9	179.3	-174.1	0	0	111.3	Q711 A713 V717 T718 I719	Q711-E715 PolarHBondContact O-N 2.94Å; A713-E715 VanDerWaalsContact C-N 3.34Å; A713-E715 PolarHBondContact O-N 3.35Å; E715-V717 VanDerWaalsContact C-N 3.3Å; E715-V717 PolarHBondContact O-N 3.42Å; E715-T718 WeakPolarHBondContact O-CB 3.33Å; E715-T718 PolarHBondContact O-N 3.46Å; E715-T718 VanDerWaalsContact O-N 3.08Å; E715-I719 HydrophobicContact CG-CD1 3.93Å; E715-I719 WeakPolarHBondContact O-CG1 3.48Å; E715-I719 PolarHBondContact O-N 3.46Å; E715-I719 VanDerWaalsContact O-N 3.11Å
716	L	88.7	Confident	90.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-55.3	-46.4	174.1	-175.1	164.4	0	0	0	111.1	Y591 F592 W597 L611 K712 A713 T718 I719 N720 Y721	Y591-L716 HydrophobicContact CD1-CD1 4.36Å; Y591-L716 HydrophobicContact CE1-CD1 4.2Å; F592-L716 HydrophobicContact CD2-CD1 3.78Å; F592-L716 HydrophobicContact CE2-CD1 4.42Å; W597-L716 HydrophobicContact CZ2-CB 4.17Å; W597-L716 HydrophobicContact CZ2-CD1 4.31Å; W597-L716 HydrophobicContact CZ2-CG 4.2Å; L611-L716 HydrophobicContact CD1-CD2 4.06Å; L611-L716 HydrophobicContact CD2-CD2 4.19Å; K712-L716 PolarHBondContact O-N 3.45Å; A713-L716 PolarHBondContact O-N 3.46Å; L716-T718 VanDerWaalsContact C-N 3.32Å; L716-T718 PolarHBondContact O-N 3.43Å; L716-I719 PolarHBondContact O-N 3.12Å; L716-N720 PolarHBondContact O-N 2.91Å; L716-N720 VanDerWaalsContact O-N 3.15Å; L716-N720 PolarHBondContact O-ND2 2.99Å; L716-Y721 HydrophobicContact CD2-CE2 4.24Å
717	V	91.5	Very high	90.7	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-57.1	-46	176.4	170.5	0	0	0	0	111.2	L695 A698 A713 E715 I719 N720 Y721 K726 I729	L695-V717 HydrophobicContact CD1-CG2 3.73Å; A698-V717 HydrophobicContact CB-CG2 3.85Å; A713-V717 WeakPolarHBondContact O-CG2 3.34Å; A713-V717 PolarHBondContact O-N 2.99Å; E715-V717 VanDerWaalsContact C-N 3.3Å; E715-V717 PolarHBondContact O-N 3.42Å; V717-I719 PolarHBondContact O-N 3.29Å; V717-N720 PolarHBondContact O-N 3.43Å; V717-Y721 PolarHBondContact O-N 3.17Å; V717-Y721 VanDerWaalsContact O-N 3.15Å; V717-K726 HydrophobicContact CG1-CB 4.01Å; V717-I729 HydrophobicContact CG1-CD1 4.04Å; V717-I729 HydrophobicContact CG2-CD1 4.16Å
718	T	92.9	Very high	91.3	Very high	65 Å²	65	54 Å²	54	40%	0.399	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-30.7	-179.9	-57.1	0	0	0	0	113.2	M714 E715 L716 K726	M714-T718 WeakPolarHBondContact O-CB 3.46Å; M714-T718 PolarHBondContact O-N 3.39Å; M714-T718 PolarHBondContact O-OG1 3.17Å; E715-T718 WeakPolarHBondContact O-CB 3.33Å; E715-T718 PolarHBondContact O-N 3.46Å; E715-T718 VanDerWaalsContact O-N 3.08Å; L716-T718 VanDerWaalsContact C-N 3.32Å; L716-T718 PolarHBondContact O-N 3.43Å; T718-K726 HydrophobicContact CG2-CD 4.28Å; T718-K726 VanDerWaalsContact CG2-NZ 3.29Å; T718-K726 WeakPolarHBondContact OG1-CD 3.48Å; T718-K726 VanDerWaalsContact OG1-CE 3.26Å; T718-K726 WeakPolarHBondContact OG1-CE 3.48Å; T718-K726 PolarHBondContact OG1-NZ 3.44Å
719	I	91.1	Very high	91.8	Very high	97 Å²	97	47 Å²	47	50%	0.497	25%	0.245	S	C	.	.	H	α-helix	trans	-89.6	-26.2	-174.8	-67.1	169.2	0	0	0	112.5	W597 E715 L716 V717	W597-I719 HydrophobicContact CE3-CD1 4.3Å; W597-I719 HydrophobicContact CH2-CD1 4.23Å; W597-I719 HydrophobicContact CZ3-CD1 3.6Å; E715-I719 HydrophobicContact CG-CD1 3.93Å; E715-I719 WeakPolarHBondContact O-CG1 3.48Å; E715-I719 PolarHBondContact O-N 3.46Å; E715-I719 VanDerWaalsContact O-N 3.11Å; L716-I719 PolarHBondContact O-N 3.12Å; V717-I719 PolarHBondContact O-N 3.29Å
720	N	90.3	Very high	92.2	Very high	63 Å²	63	49 Å²	49	34%	0.337	26%	0.256	S	S	.	.	H	α-helix	trans	-115.5	-10.5	-168.2	-62.6	-93.2	0	0	0	114.9	L611 L716 V717	L611-N720 HydrophobicContact CD1-CB 3.7Å; L611-N720 WeakPolarHBondContact CD1-OD1 3.45Å; L716-N720 PolarHBondContact O-N 2.91Å; L716-N720 VanDerWaalsContact O-N 3.15Å; L716-N720 PolarHBondContact O-ND2 2.99Å; V717-N720 PolarHBondContact O-N 3.43Å
721	Y	94.3	Very high	92.4	Very high	24 Å²	24	48.6 Å²	48.6	9%	0.094	25%	0.25	C	S	.	.	S	Bend	trans	-138.1	169	-174.2	-58.4	-85.9	0	0	0	112.5	L611 L612 E614 I617 A698 L716 V717 L725	L611-Y721 HydrophobicContact CD1-CE2 4.45Å; L612-Y721 WeakPolarHBondContact O-CE1 3.32Å; L612-Y721 PolarHBondContact O-OH 2.98Å; E614-Y721 HydrophobicContact CB-CD1 3.91Å; E614-Y721 HydrophobicContact CB-CE1 4.4Å; E614-Y721 HydrophobicContact CG-CD1 3.85Å; E614-Y721 WeakPolarHBondContact OE2-CA 3.26Å; I617-Y721 HydrophobicContact CD1-CD1 4.39Å; I617-Y721 HydrophobicContact CD1-CE1 3.63Å; A698-Y721 WeakPolarHBondContact CA-OH 3.48Å; A698-Y721 HydrophobicContact CB-CD2 4.4Å; A698-Y721 HydrophobicContact CB-CE2 3.88Å; A698-Y721 WeakPolarHBondContact O-CE2 3.44Å; A698-Y721 VanDerWaalsContact O-CZ 3.32Å; A698-Y721 PolarHBondContact O-OH 3.12Å; L716-Y721 HydrophobicContact CD2-CE2 4.24Å; V717-Y721 PolarHBondContact O-N 3.17Å; V717-Y721 VanDerWaalsContact O-N 3.15Å; Y721-L725 HydrophobicContact CD1-CD2 3.87Å; Y721-L725 HydrophobicContact CE1-CD2 4.49Å; Y721-L725 HydrophobicContact CG-CD2 3.92Å
722	S	95	Very high	92.7	Very high	31 Å²	31	41.4 Å²	41.4	22%	0.217	22%	0.216	C	C	.	.			trans	-61.4	155.5	178.6	69.9	0	0	0	0	114.2	E614 D724 L725 K726	E614-S722 VanDerWaalsContact CD-OG 3.29Å; E614-S722 VanDerWaalsContact OE1-CB 3.29Å; E614-S722 WeakPolarHBondContact OE1-CB 3.4Å; E614-S722 PolarHBondContact OE1-OG 3.06Å; E614-S722 WeakPolarHBondContact OE2-CB 3.49Å; E614-S722 PolarHBondContact OE2-N 2.91Å; E614-S722 PolarHBondContact OE2-OG 3.45Å; S722-D724 PolarHBondContact O-N 3.42Å; S722-L725 PolarHBondContact O-N 2.87Å; S722-L725 PolarHBondContact OG-N 3.45Å; S722-K726 PolarHBondContact O-N 3.19Å
723	S	94.4	Very high	92.9	Very high	76 Å²	76	41 Å²	41	53%	0.531	22%	0.216	S	C	.	.	H	α-helix	trans	-53.8	-36.1	166.8	45.5	0	0	0	0	112.4	K726 N727	S723-K726 PolarHBondContact O-N 3.22Å; S723-N727 VanDerWaalsContact O-CB 3.23Å; S723-N727 WeakPolarHBondContact O-CB 3.41Å; S723-N727 PolarHBondContact O-N 3.49Å; S723-N727 PolarHBondContact O-ND2 3.22Å; S723-N727 PolarHBondContact O-OD1 2.99Å
724	D	94.7	Very high	92.8	Very high	63 Å²	63	43.7 Å²	43.7	34%	0.337	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-46.7	-178.7	-55.8	-1.3	0	0	0	110.9	W618 S722 N727 L728 R752	W618-D724 HydrophobicContact CH2-CB 4.13Å; W618-D724 HydrophobicContact CZ2-CB 3.72Å; S722-D724 PolarHBondContact O-N 3.42Å; D724-N727 PolarHBondContact O-N 3.45Å; D724-L728 WeakPolarHBondContact O-CB 3.4Å; D724-L728 PolarHBondContact O-N 3Å; D724-R752 IonicContact OD2-CZ 3.67Å; D724-R752 IonicContact OD2-NH2 3.77Å; D724-R752 PolarHBondContact OD2-NH2 2.97Å
725	L	95.3	Very high	92.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.3	-43	-179.7	-176.8	59.7	0	0	0	110.7	E614 I617 W618 I621 V694 A698 Y721 S722 N727 L728 I729	E614-L725 HydrophobicContact CG-CD2 4.01Å; I617-L725 HydrophobicContact CD1-CD2 4.19Å; I617-L725 HydrophobicContact CG2-CD1 4.06Å; I617-L725 HydrophobicContact CG2-CD2 4.2Å; W618-L725 HydrophobicContact CH2-CB 4.38Å; W618-L725 HydrophobicContact CH2-CD1 4.32Å; W618-L725 HydrophobicContact CZ2-CB 3.8Å; W618-L725 HydrophobicContact CZ2-CD1 4.27Å; I621-L725 HydrophobicContact CD1-CD1 3.67Å; V694-L725 HydrophobicContact CG1-CD1 3.67Å; A698-L725 HydrophobicContact CB-CD2 4.49Å; Y721-L725 HydrophobicContact CD1-CD2 3.87Å; Y721-L725 HydrophobicContact CE1-CD2 4.49Å; Y721-L725 HydrophobicContact CG-CD2 3.92Å; S722-L725 PolarHBondContact O-N 2.87Å; S722-L725 PolarHBondContact OG-N 3.45Å; L725-N727 VanDerWaalsContact C-N 3.34Å; L725-N727 PolarHBondContact O-N 3.45Å; L725-L728 PolarHBondContact O-N 3.15Å; L725-I729 HydrophobicContact CD1-CD1 4.15Å; L725-I729 HydrophobicContact CD1-CG1 4.39Å; L725-I729 HydrophobicContact CG-CD1 3.94Å; L725-I729 VanDerWaalsContact O-CG1 3.28Å; L725-I729 WeakPolarHBondContact O-CG1 3.3Å; L725-I729 PolarHBondContact O-N 2.96Å
726	K	95.1	Very high	91.5	Very high	66 Å²	66	48.9 Å²	48.9	29%	0.287	26%	0.261	S	S	.	.	H	α-helix	trans	-56.4	-47.4	173.2	177.6	179.5	176.6	165.1	0	111.9	M714 V717 T718 S722 S723 I729 L730	M714-K726 HydrophobicContact CE-CG 4.08Å; V717-K726 HydrophobicContact CG1-CB 4.01Å; T718-K726 HydrophobicContact CG2-CD 4.28Å; T718-K726 VanDerWaalsContact CG2-NZ 3.29Å; T718-K726 WeakPolarHBondContact OG1-CD 3.48Å; T718-K726 VanDerWaalsContact OG1-CE 3.26Å; T718-K726 WeakPolarHBondContact OG1-CE 3.48Å; T718-K726 PolarHBondContact OG1-NZ 3.44Å; S722-K726 PolarHBondContact O-N 3.19Å; S723-K726 PolarHBondContact O-N 3.22Å; K726-I729 PolarHBondContact O-N 2.88Å; K726-L730 WeakPolarHBondContact O-CB 3.31Å; K726-L730 PolarHBondContact O-N 2.68Å
727	N	94.9	Very high	90.8	Very high	82 Å²	82	57.6 Å²	57.6	44%	0.439	31%	0.308	S	S	.	.	H	α-helix	trans	-67.3	-39.3	-177.2	-71.1	-15.7	0	0	0	111.6	S723 D724 L725 L730 Y731	S723-N727 VanDerWaalsContact O-CB 3.23Å; S723-N727 WeakPolarHBondContact O-CB 3.41Å; S723-N727 PolarHBondContact O-N 3.49Å; S723-N727 PolarHBondContact O-ND2 3.22Å; S723-N727 PolarHBondContact O-OD1 2.99Å; D724-N727 PolarHBondContact O-N 3.45Å; L725-N727 VanDerWaalsContact C-N 3.34Å; L725-N727 PolarHBondContact O-N 3.45Å; N727-L730 PolarHBondContact O-N 2.77Å; N727-Y731 VanDerWaalsContact O-CB 3.28Å; N727-Y731 WeakPolarHBondContact O-CB 3.46Å; N727-Y731 PolarHBondContact O-N 3.07Å
728	L	95.3	Very high	90.4	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-64.3	-46.9	173.8	177.7	63.7	0	0	0	112	W618 I621 D724 L725 L730 Y731 L732 I745 M748 I749	W618-L728 HydrophobicContact CH2-CB 4.48Å; W618-L728 HydrophobicContact CH2-CD2 4.07Å; W618-L728 HydrophobicContact CZ3-CD2 3.67Å; I621-L728 HydrophobicContact CD1-CD2 3.9Å; I621-L728 HydrophobicContact CG1-CD2 4.39Å; I621-L728 HydrophobicContact CG2-CD2 3.79Å; D724-L728 WeakPolarHBondContact O-CB 3.4Å; D724-L728 PolarHBondContact O-N 3Å; L725-L728 PolarHBondContact O-N 3.15Å; L728-L730 VanDerWaalsContact C-N 3.32Å; L728-L730 PolarHBondContact O-N 3.3Å; L728-Y731 PolarHBondContact O-N 3.15Å; L728-L732 HydrophobicContact CD1-CD1 3.89Å; L728-L732 HydrophobicContact CD1-CG 4.07Å; L728-L732 HydrophobicContact CG-CD1 3.97Å; L728-L732 HydrophobicContact CG-CG 4.49Å; L728-L732 WeakPolarHBondContact O-CG 3.38Å; L728-L732 PolarHBondContact O-N 3.11Å; L728-I745 HydrophobicContact CD1-CB 3.87Å; L728-I745 HydrophobicContact CD1-CD1 4.33Å; L728-I745 HydrophobicContact CD1-CG2 3.6Å; L728-M748 HydrophobicContact CB-SD 4.05Å; L728-M748 HydrophobicContact CD1-SD 4Å; L728-I749 HydrophobicContact CD2-CG2 4.12Å
729	I	94.9	Very high	90	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.7	-45.6	177.6	-68.3	164.7	0	0	0	110.2	V694 L695 A698 M714 V717 L725 K726 L732 L733	V694-I729 HydrophobicContact CB-CG1 4.34Å; V694-I729 HydrophobicContact CG1-CD1 3.94Å; V694-I729 HydrophobicContact CG1-CG1 3.64Å; L695-I729 HydrophobicContact CB-CG2 4.16Å; L695-I729 HydrophobicContact CD1-CG2 4.26Å; A698-I729 HydrophobicContact CB-CD1 4.46Å; M714-I729 HydrophobicContact CE-CB 4.47Å; M714-I729 HydrophobicContact CE-CG2 4.11Å; M714-I729 HydrophobicContact SD-CB 4.46Å; M714-I729 HydrophobicContact SD-CG2 3.55Å; M714-I729 VanDerWaalsContact SD-CG2 3.55Å; V717-I729 HydrophobicContact CG1-CD1 4.04Å; V717-I729 HydrophobicContact CG2-CD1 4.16Å; L725-I729 HydrophobicContact CD1-CD1 4.15Å; L725-I729 HydrophobicContact CD1-CG1 4.39Å; L725-I729 HydrophobicContact CG-CD1 3.94Å; L725-I729 VanDerWaalsContact O-CG1 3.28Å; L725-I729 WeakPolarHBondContact O-CG1 3.3Å; L725-I729 PolarHBondContact O-N 2.96Å; K726-I729 PolarHBondContact O-N 2.88Å; I729-L732 PolarHBondContact O-N 3.49Å; I729-L733 HydrophobicContact CG2-CD1 3.62Å; I729-L733 HydrophobicContact CG2-CG 4.28Å; I729-L733 WeakPolarHBondContact O-CB 3.3Å; I729-L733 WeakPolarHBondContact O-CG 3.41Å; I729-L733 PolarHBondContact O-N 2.81Å
730	L	93.6	Very high	90	Very high	83 Å²	83	64.1 Å²	64.1	44%	0.435	33%	0.325	S	S	.	.	H	α-helix	trans	-60.6	-46.6	176.9	-173.4	66.4	0	0	0	111.5	M714 K726 N727 L728 L732 L733 T734	M714-L730 HydrophobicContact CE-CB 4.41Å; K726-L730 WeakPolarHBondContact O-CB 3.31Å; K726-L730 PolarHBondContact O-N 2.68Å; N727-L730 PolarHBondContact O-N 2.77Å; L728-L730 VanDerWaalsContact C-N 3.32Å; L728-L730 PolarHBondContact O-N 3.3Å; L730-L732 VanDerWaalsContact C-N 3.31Å; L730-L732 PolarHBondContact O-N 3.31Å; L730-L733 PolarHBondContact O-N 3.47Å; L730-T734 WeakPolarHBondContact CD1-OG1 3.35Å; L730-T734 VanDerWaalsContact O-CB 3.24Å; L730-T734 WeakPolarHBondContact O-CB 3.36Å; L730-T734 PolarHBondContact O-N 2.91Å; L730-T734 PolarHBondContact O-OG1 2.88Å
731	Y	93.5	Very high	90	Very high	54 Å²	54	63.1 Å²	63.1	21%	0.212	32%	0.323	C	S	.	.	H	α-helix	trans	-61	-36.6	178.7	179.5	-91.4	0	0	0	113.6	N727 L728 R740 D744 I745 M748	N727-Y731 VanDerWaalsContact O-CB 3.28Å; N727-Y731 WeakPolarHBondContact O-CB 3.46Å; N727-Y731 PolarHBondContact O-N 3.07Å; L728-Y731 PolarHBondContact O-N 3.15Å; Y731-R740 HydrophobicContact CE1-CG 4.36Å; Y731-R740 PolarHBondContact O-NH1 3.42Å; Y731-R740 WeakPolarHBondContact OH-CG 3.38Å; Y731-D744 HydrophobicContact CE1-CB 4.48Å; Y731-D744 WeakPolarHBondContact OH-CB 3.41Å; Y731-I745 HydrophobicContact CD1-CG2 3.57Å; Y731-I745 HydrophobicContact CE1-CG2 3.57Å; Y731-M748 HydrophobicContact CD2-CE 4.29Å; Y731-M748 HydrophobicContact CG-CE 4.12Å
732	L	93.1	Very high	90	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-77.8	-31.2	177.9	-68.6	173.6	0	0	0	113.2	L687 I688 L690 L728 I729 L730 I745	L687-L732 HydrophobicContact CB-CD2 4.07Å; L687-L732 HydrophobicContact CD2-CD2 4.12Å; I688-L732 WeakPolarHBondContact CA-O 3.46Å; L690-L732 HydrophobicContact CD2-CD1 4.16Å; L690-L732 HydrophobicContact CG-CD1 4.11Å; L728-L732 HydrophobicContact CD1-CD1 3.89Å; L728-L732 HydrophobicContact CD1-CG 4.07Å; L728-L732 HydrophobicContact CG-CD1 3.97Å; L728-L732 HydrophobicContact CG-CG 4.49Å; L728-L732 WeakPolarHBondContact O-CG 3.38Å; L728-L732 PolarHBondContact O-N 3.11Å; I729-L732 PolarHBondContact O-N 3.49Å; L730-L732 VanDerWaalsContact C-N 3.31Å; L730-L732 PolarHBondContact O-N 3.31Å; L732-I745 HydrophobicContact CD2-CG2 4.13Å
733	L	91.8	Very high	89.9	Confident	40 Å²	40	64 Å²	64	21%	0.209	33%	0.327	C	S	.	.	H	α-helix	trans	-96.6	-32	-175.2	-67.5	-177.9	0	0	0	114.9	I688 K692 L695 L710 I729 L730	I688-L733 HydrophobicContact CG2-CD2 4.4Å; K692-L733 HydrophobicContact CG-CD2 3.82Å; L695-L733 HydrophobicContact CB-CD1 4.47Å; L695-L733 HydrophobicContact CD2-CD1 3.81Å; L710-L733 HydrophobicContact CD1-CD1 4.05Å; I729-L733 HydrophobicContact CG2-CD1 3.62Å; I729-L733 HydrophobicContact CG2-CG 4.28Å; I729-L733 WeakPolarHBondContact O-CB 3.3Å; I729-L733 WeakPolarHBondContact O-CG 3.41Å; I729-L733 PolarHBondContact O-N 2.81Å; L730-L733 PolarHBondContact O-N 3.47Å
734	T	88.1	Confident	89.8	Confident	58 Å²	58	62.7 Å²	62.7	36%	0.356	31%	0.314	S	S	.	.	S	Bend	trans	-68.2	130.5	174.2	-66.9	0	0	0	0	109.4	L730 R740	L730-T734 WeakPolarHBondContact CD1-OG1 3.35Å; L730-T734 VanDerWaalsContact O-CB 3.24Å; L730-T734 WeakPolarHBondContact O-CB 3.36Å; L730-T734 PolarHBondContact O-N 2.91Å; L730-T734 PolarHBondContact O-OG1 2.88Å; T734-R740 PolarHBondContact O-NH1 2.89Å
735	D	77	Confident	89.7	Confident	133 Å²	133	59.7 Å²	59.7	71%	0.711	30%	0.298	S	S	*	.			trans	-72	145.7	175.3	-155.5	7	0	0	0	111.3	R740	D735-R740 IonicContact OD1-NH2 3.76Å
736	Q	75.6	Confident	89.4	Confident	91 Å²	91	63 Å²	63	43%	0.425	31%	0.314	S	S	.	.			trans	-130.8	133.3	-169.9	-70.9	-67.3	-23.7	0	0	110.4	R738	Q736-R738 PolarHBondContact O-N 3.41Å
737	N	74.7	Confident	89.2	Confident	183 Å²	183	65.5 Å²	65.5	98%	0.979	34%	0.337	S	S	*	.	S	Bend	trans	-71.2	10.5	-177.8	-156.1	31.5	0	0	0	114.1
738	R	83.9	Confident	89	Confident	178 Å²	178	64.7 Å²	64.7	67%	0.672	33%	0.332	S	S	*	.	S	Bend	trans	-134.9	134.5	174.3	175.8	-179	175.4	-112.3	-5.4	107.9	Q736 R740 D744	Q736-R738 PolarHBondContact O-N 3.41Å; R738-R740 PolarHBondContact O-N 3.19Å; R738-D744 IonicContact NH1-OD2 3.93Å
739	M	83.3	Confident	88.9	Confident	104 Å²	104	64.7 Å²	64.7	51%	0.512	33%	0.331	S	S	.	.			trans	-60.8	128.4	173.8	-55.8	-162.4	80.9	0	0	110.7	A680 Q684	A680-M739 HydrophobicContact CB-CE 3.68Å; A680-M739 HydrophobicContact CB-SD 4.3Å; A680-M739 VanDerWaalsContact O-CE 3.24Å; A680-M739 WeakPolarHBondContact O-CE 3.4Å; Q684-M739 HydrophobicContact CG-CE 3.66Å
740	R	90.8	Very high	88.8	Confident	16 Å²	16	65.8 Å²	65.8	6%	0.06	34%	0.343	C	S	.	.			trans	-88.9	152.8	-179.5	-63.5	170.9	-75.3	-130	-16.1	111.7	Q684 L687 Y731 T734 D735 R738 D744	Q684-R740 PolarHBondContact NE2-O 2.72Å; L687-R740 HydrophobicContact CD1-CB 3.61Å; Y731-R740 HydrophobicContact CE1-CG 4.36Å; Y731-R740 PolarHBondContact O-NH1 3.42Å; Y731-R740 WeakPolarHBondContact OH-CG 3.38Å; T734-R740 PolarHBondContact O-NH1 2.89Å; D735-R740 IonicContact OD1-NH2 3.76Å; R738-R740 PolarHBondContact O-N 3.19Å; R740-D744 WeakPolarHBondContact CA-OD2 3.47Å
741	S	91.8	Very high	88.7	Confident	43 Å²	43	65.3 Å²	65.3	30%	0.301	35%	0.351	S	S	.	.			trans	-108.2	154.4	167.6	-170.2	0	0	0	0	111.1	N743 D744	S741-N743 PolarHBondContact O-N 3.33Å; S741-N743 PolarHBondContact OG-N 3.08Å; S741-N743 PolarHBondContact OG-ND2 3.15Å; S741-N743 VanDerWaalsContact OG-ND2 3.15Å; S741-D744 PolarHBondContact N-OD2 3.46Å; S741-D744 WeakPolarHBondContact O-CB 3.32Å; S741-D744 PolarHBondContact O-N 3.27Å
742	V	92.8	Very high	88.8	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.024	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-58.9	-24.2	165.7	-178.3	0	0	0	0	111.4	S625 L628 R629 H632 L687 D744 I745	S625-V742 WeakPolarHBondContact O-CG1 3.4Å; L628-V742 HydrophobicContact CB-CG1 4.28Å; L628-V742 HydrophobicContact CB-CG2 3.74Å; R629-V742 HydrophobicContact CB-CB 4.42Å; R629-V742 HydrophobicContact CB-CG1 3.87Å; H632-V742 VanDerWaalsContact ND1-CG2 3.28Å; H632-V742 WeakPolarHBondContact ND1-CG2 3.3Å; L687-V742 HydrophobicContact CD2-CG2 3.83Å; V742-D744 VanDerWaalsContact C-N 3.29Å; V742-D744 PolarHBondContact O-N 3.02Å; V742-I745 WeakPolarHBondContact O-CG1 3.49Å
743	N	93	Very high	88.8	Confident	70 Å²	70	69.5 Å²	69.5	37%	0.374	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-71.4	-21.9	174.4	-57.7	-67.1	0	0	0	112.8	R629 S741 I745 M746	R629-N743 PolarHBondContact NE-OD1 3.42Å; R629-N743 VanDerWaalsContact NE-OD1 3.08Å; S741-N743 PolarHBondContact O-N 3.33Å; S741-N743 PolarHBondContact OG-N 3.08Å; S741-N743 PolarHBondContact OG-ND2 3.15Å; S741-N743 VanDerWaalsContact OG-ND2 3.15Å; N743-I745 VanDerWaalsContact C-N 3.29Å; N743-I745 PolarHBondContact O-N 3.05Å; N743-M746 VanDerWaalsContact O-CB 3.24Å; N743-M746 WeakPolarHBondContact O-CB 3.37Å; N743-M746 VanDerWaalsContact O-CG 3.31Å; N743-M746 WeakPolarHBondContact O-CG 3.47Å; N743-M746 PolarHBondContact O-N 3.5Å; N743-M746 VanDerWaalsContact O-N 3.15Å
744	D	92.2	Very high	88.9	Confident	48 Å²	48	75.8 Å²	75.8	26%	0.257	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-71.7	-22.5	-177	-62.3	-27.6	0	0	0	112.8	Y731 R738 R740 S741 V742 P747	Y731-D744 HydrophobicContact CE1-CB 4.48Å; Y731-D744 WeakPolarHBondContact OH-CB 3.41Å; R738-D744 IonicContact NH1-OD2 3.93Å; R740-D744 WeakPolarHBondContact CA-OD2 3.47Å; S741-D744 PolarHBondContact N-OD2 3.46Å; S741-D744 WeakPolarHBondContact O-CB 3.32Å; S741-D744 PolarHBondContact O-N 3.27Å; V742-D744 VanDerWaalsContact C-N 3.29Å; V742-D744 PolarHBondContact O-N 3.02Å; D744-P747 WeakPolarHBondContact O-CD 3.47Å
745	I	92.1	Very high	89.1	Confident	0 Å²	0	77 Å²	77	0%	0	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-83.8	-7.7	173.5	60.4	166.6	0	0	0	113.5	L728 Y731 L732 V742 N743 P747 M748 I749	L728-I745 HydrophobicContact CD1-CB 3.87Å; L728-I745 HydrophobicContact CD1-CD1 4.33Å; L728-I745 HydrophobicContact CD1-CG2 3.6Å; Y731-I745 HydrophobicContact CD1-CG2 3.57Å; Y731-I745 HydrophobicContact CE1-CG2 3.57Å; L732-I745 HydrophobicContact CD2-CG2 4.13Å; V742-I745 WeakPolarHBondContact O-CG1 3.49Å; N743-I745 VanDerWaalsContact C-N 3.29Å; N743-I745 PolarHBondContact O-N 3.05Å; I745-P747 VanDerWaalsContact C-CD 3.41Å; I745-P747 VanDerWaalsContact C-N 3.34Å; I745-M748 WeakPolarHBondContact O-CB 2.93Å; I745-M748 PolarHBondContact O-N 3.21Å; I745-I749 HydrophobicContact CD1-CD1 4.06Å; I745-I749 HydrophobicContact CG1-CD1 4.2Å; I745-I749 PolarHBondContact O-N 3.38Å
746	M	89.6	Confident	89.8	Confident	68 Å²	68	73 Å²	73	34%	0.335	38%	0.375	S	S	.	.	H	α-helix	trans	-54.9	-37	-178.6	-72.2	-63.3	-58.4	0	0	114.7	N743 M748 I749 G750 F753	N743-M746 VanDerWaalsContact O-CB 3.24Å; N743-M746 WeakPolarHBondContact O-CB 3.37Å; N743-M746 VanDerWaalsContact O-CG 3.31Å; N743-M746 WeakPolarHBondContact O-CG 3.47Å; N743-M746 PolarHBondContact O-N 3.5Å; N743-M746 VanDerWaalsContact O-N 3.15Å; M746-M748 PolarHBondContact O-N 3.42Å; M746-I749 PolarHBondContact O-N 3.48Å; M746-I749 HydrophobicContact SD-CD1 4.17Å; M746-I749 HydrophobicContact SD-CG1 4.19Å; M746-G750 WeakPolarHBondContact O-CA 3.32Å; M746-G750 PolarHBondContact O-N 3.03Å; M746-F753 HydrophobicContact CE-CD2 4.19Å; M746-F753 HydrophobicContact CE-CE2 3.88Å; M746-F753 HydrophobicContact SD-CE2 3.9Å; M746-F753 HydrophobicContact SD-CZ 4.47Å
747	P	91.4	Very high	90.6	Very high	120 Å²	120	73.2 Å²	73.2	78%	0.779	38%	0.379	S	S	*	.	H	α-helix	trans	-60.9	-30.2	175	-25.1	36.3	0	0	0	113.9	D744 I745	D744-P747 WeakPolarHBondContact O-CD 3.47Å; I745-P747 VanDerWaalsContact C-CD 3.41Å; I745-P747 VanDerWaalsContact C-N 3.34Å
748	M	90.4	Very high	91.5	Very high	65 Å²	65	68.4 Å²	68.4	32%	0.32	35%	0.353	S	S	.	.	H	α-helix	trans	-81.8	-28.2	179.8	-55.7	-179.5	-172.6	0	0	112.6	L728 Y731 I745 M746	L728-M748 HydrophobicContact CB-SD 4.05Å; L728-M748 HydrophobicContact CD1-SD 4Å; Y731-M748 HydrophobicContact CD2-CE 4.29Å; Y731-M748 HydrophobicContact CG-CE 4.12Å; I745-M748 WeakPolarHBondContact O-CB 2.93Å; I745-M748 PolarHBondContact O-N 3.21Å; M746-M748 PolarHBondContact O-N 3.42Å
749	I	93.8	Very high	91.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-113	-12.1	-171.8	70.9	173.9	0	0	0	114.4	W618 I621 S625 L728 I745 M746 A751 R752 F753	W618-I749 HydrophobicContact CE3-CG2 4.49Å; W618-I749 HydrophobicContact CZ3-CG2 3.88Å; I621-I749 HydrophobicContact CG2-CG2 3.89Å; S625-I749 VanDerWaalsContact OG-CD1 3.24Å; S625-I749 WeakPolarHBondContact OG-CD1 3.39Å; L728-I749 HydrophobicContact CD2-CG2 4.12Å; I745-I749 HydrophobicContact CD1-CD1 4.06Å; I745-I749 HydrophobicContact CG1-CD1 4.2Å; I745-I749 PolarHBondContact O-N 3.38Å; M746-I749 PolarHBondContact O-N 3.48Å; M746-I749 HydrophobicContact SD-CD1 4.17Å; M746-I749 HydrophobicContact SD-CG1 4.19Å; I749-A751 PolarHBondContact O-N 3.43Å; I749-R752 WeakPolarHBondContact O-CA 3.48Å; I749-R752 WeakPolarHBondContact O-CB 3.26Å; I749-R752 PolarHBondContact O-N 3.09Å; I749-F753 HydrophobicContact CD1-CE2 3.71Å; I749-F753 HydrophobicContact CD1-CZ 4.48Å; I749-F753 HydrophobicContact CG1-CD2 4.36Å; I749-F753 HydrophobicContact CG1-CE2 3.9Å; I749-F753 PolarHBondContact O-N 3.17Å
750	G	92.1	Very high	92	Very high	24 Å²	24	59.8 Å²	59.8	25%	0.247	34%	0.336	C	S	.	.	H	α-helix	trans	-57.2	-45.1	-171.1	0	0	0	0	0	113.7	M746 R752 F753	M746-G750 WeakPolarHBondContact O-CA 3.32Å; M746-G750 PolarHBondContact O-N 3.03Å; G750-R752 PolarHBondContact O-N 2.98Å; G750-F753 WeakPolarHBondContact O-CB 3.43Å; G750-F753 PolarHBondContact O-N 3.38Å
751	A	92.7	Very high	92	Very high	73 Å²	73	64.1 Å²	64.1	60%	0.603	36%	0.357	S	S	*	.	H	α-helix	trans	-63.7	-29.2	175.8	0	0	0	0	0	113	I749 F753 Y754	I749-A751 PolarHBondContact O-N 3.43Å; A751-F753 VanDerWaalsContact C-N 3.33Å; A751-Y754 PolarHBondContact O-N 2.88Å
752	R	94.1	Very high	91.9	Very high	80 Å²	80	66.6 Å²	66.6	30%	0.302	37%	0.365	S	S	.	.	H	α-helix	trans	-75.4	-20.3	-179.9	-46.3	-64	-179	163.6	0.2	112.3	W618 V622 D724 I749 G750 Y754 T755 Q756	W618-R752 HydrophobicContact CD2-CG 4.17Å; W618-R752 HydrophobicContact CE3-CG 4.17Å; W618-R752 HydrophobicContact CG-CG 4.39Å; V622-R752 HydrophobicContact CG2-CB 3.97Å; D724-R752 IonicContact OD2-CZ 3.67Å; D724-R752 IonicContact OD2-NH2 3.77Å; D724-R752 PolarHBondContact OD2-NH2 2.97Å; I749-R752 WeakPolarHBondContact O-CA 3.48Å; I749-R752 WeakPolarHBondContact O-CB 3.26Å; I749-R752 PolarHBondContact O-N 3.09Å; G750-R752 PolarHBondContact O-N 2.98Å; R752-Y754 VanDerWaalsContact C-N 3.33Å; R752-T755 PolarHBondContact O-N 2.97Å; R752-Q756 PolarHBondContact O-N 3.26Å
753	F	94.2	Very high	91.7	Very high	62 Å²	62	71.2 Å²	71.2	27%	0.272	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-38.4	172	-88.9	-90.7	0	0	0	112	V622 M746 I749 G750 A751 T755 Q756 L757	V622-F753 HydrophobicContact CG1-CD1 3.58Å; V622-F753 HydrophobicContact CG1-CD2 4.19Å; V622-F753 HydrophobicContact CG1-CE1 3.6Å; V622-F753 HydrophobicContact CG1-CE2 4.22Å; V622-F753 HydrophobicContact CG1-CG 3.89Å; V622-F753 HydrophobicContact CG1-CZ 3.92Å; V622-F753 HydrophobicContact CG2-CD2 4.45Å; M746-F753 HydrophobicContact CE-CD2 4.19Å; M746-F753 HydrophobicContact CE-CE2 3.88Å; M746-F753 HydrophobicContact SD-CE2 3.9Å; M746-F753 HydrophobicContact SD-CZ 4.47Å; I749-F753 HydrophobicContact CD1-CE2 3.71Å; I749-F753 HydrophobicContact CD1-CZ 4.48Å; I749-F753 HydrophobicContact CG1-CD2 4.36Å; I749-F753 HydrophobicContact CG1-CE2 3.9Å; I749-F753 PolarHBondContact O-N 3.17Å; G750-F753 WeakPolarHBondContact O-CB 3.43Å; G750-F753 PolarHBondContact O-N 3.38Å; A751-F753 VanDerWaalsContact C-N 3.33Å; F753-T755 VanDerWaalsContact C-N 3.35Å; F753-T755 PolarHBondContact O-N 3.11Å; F753-Q756 PolarHBondContact O-N 3.4Å; F753-Q756 VanDerWaalsContact O-N 3.12Å; F753-L757 WeakPolarHBondContact O-CB 3.49Å; F753-L757 PolarHBondContact O-N 3.44Å
754	Y	94.4	Very high	91.5	Very high	172 Å²	172	71.4 Å²	71.4	68%	0.675	38%	0.383	S	S	*	.	H	α-helix	trans	-61	-43.8	177.8	-60.9	-62.1	0	0	0	111.6	A751 R752 Q756 L757 D758	A751-Y754 PolarHBondContact O-N 2.88Å; R752-Y754 VanDerWaalsContact C-N 3.33Å; Y754-Q756 VanDerWaalsContact C-N 3.26Å; Y754-Q756 PolarHBondContact O-N 3.44Å; Y754-L757 PolarHBondContact O-N 3.28Å; Y754-D758 VanDerWaalsContact O-CB 3.23Å; Y754-D758 WeakPolarHBondContact O-CB 3.25Å; Y754-D758 PolarHBondContact O-N 3.49Å
755	T	92.3	Very high	91.4	Very high	83 Å²	83	73.6 Å²	73.6	51%	0.509	40%	0.395	S	S	.	.	H	α-helix	trans	-63.3	-29.7	175.6	-43.4	0	0	0	0	113	R752 F753 A759	R752-T755 PolarHBondContact O-N 2.97Å; F753-T755 VanDerWaalsContact C-N 3.35Å; F753-T755 PolarHBondContact O-N 3.11Å; T755-A759 WeakPolarHBondContact O-CB 3.38Å; T755-A759 PolarHBondContact O-N 3.06Å; T755-A759 VanDerWaalsContact O-N 3.16Å
756	Q	90.5	Very high	91.1	Very high	48 Å²	48	77.9 Å²	77.9	22%	0.224	42%	0.421	C	S	.	.	H	α-helix	trans	-82.1	-30.8	175.1	-70.4	-59.5	-79.3	0	0	113.4	A619 V622 R752 F753 Y754 A760	A619-Q756 VanDerWaalsContact CB-OE1 3.29Å; V622-Q756 HydrophobicContact CB-CG 4.01Å; V622-Q756 HydrophobicContact CG1-CB 4.03Å; V622-Q756 HydrophobicContact CG1-CG 3.87Å; V622-Q756 HydrophobicContact CG2-CG 4.28Å; R752-Q756 PolarHBondContact O-N 3.26Å; F753-Q756 PolarHBondContact O-N 3.4Å; F753-Q756 VanDerWaalsContact O-N 3.12Å; Y754-Q756 VanDerWaalsContact C-N 3.26Å; Y754-Q756 PolarHBondContact O-N 3.44Å; Q756-A760 VanDerWaalsContact O-CB 3.29Å; Q756-A760 WeakPolarHBondContact O-CB 3.28Å; Q756-A760 PolarHBondContact O-N 2.86Å
757	L	92.5	Very high	91.1	Very high	97 Å²	97	78.1 Å²	78.1	51%	0.508	42%	0.423	S	S	.	.	H	α-helix	trans	-67.5	-50.3	172.5	179.2	61.3	0	0	0	110.4	F753 Y754 A759 A760 Q761	F753-L757 WeakPolarHBondContact O-CB 3.49Å; F753-L757 PolarHBondContact O-N 3.44Å; Y754-L757 PolarHBondContact O-N 3.28Å; L757-A759 PolarHBondContact O-N 3.21Å; L757-A760 CarbonylContact O-C 3.59Å; L757-A760 WeakPolarHBondContact O-CA 3.38Å; L757-A760 WeakPolarHBondContact O-CB 3.49Å; L757-A760 PolarHBondContact O-N 3.18Å; L757-Q761 HydrophobicContact CD1-CG 4.46Å; L757-Q761 WeakPolarHBondContact O-CG 3.33Å; L757-Q761 PolarHBondContact O-N 3.37Å
758	D	92.9	Very high	91	Very high	82 Å²	82	77.8 Å²	77.8	44%	0.439	41%	0.411	S	S	.	.	H	α-helix	trans	-56.1	-49.4	175	177.5	57.3	0	0	0	111.8	Y754 A760 Q761 M762	Y754-D758 VanDerWaalsContact O-CB 3.23Å; Y754-D758 WeakPolarHBondContact O-CB 3.25Å; Y754-D758 PolarHBondContact O-N 3.49Å; D758-A760 PolarHBondContact O-N 3.46Å; D758-Q761 PolarHBondContact O-N 3.02Å; D758-Q761 VanDerWaalsContact O-N 3.16Å; D758-M762 PolarHBondContact O-N 2.87Å; D758-M762 WeakPolarHBondContact OD2-CE 3.45Å
759	A	89.2	Confident	90.9	Very high	45 Å²	45	80 Å²	80	37%	0.372	42%	0.42	S	S	.	.	H	α-helix	trans	-65.3	-22.9	174.8	0	0	0	0	0	114.3	T755 L757 R763	T755-A759 WeakPolarHBondContact O-CB 3.38Å; T755-A759 PolarHBondContact O-N 3.06Å; T755-A759 VanDerWaalsContact O-N 3.16Å; L757-A759 PolarHBondContact O-N 3.21Å; A759-R763 WeakPolarHBondContact O-CB 3.37Å; A759-R763 PolarHBondContact O-N 3.25Å
760	A	88.4	Confident	90.5	Very high	55 Å²	55	80.4 Å²	80.4	46%	0.455	42%	0.422	S	S	.	.	H	α-helix	trans	-81.5	-35.8	172.6	0	0	0	0	0	112	Q756 L757 D758 R763 N764	Q756-A760 VanDerWaalsContact O-CB 3.29Å; Q756-A760 WeakPolarHBondContact O-CB 3.28Å; Q756-A760 PolarHBondContact O-N 2.86Å; L757-A760 CarbonylContact O-C 3.59Å; L757-A760 WeakPolarHBondContact O-CA 3.38Å; L757-A760 WeakPolarHBondContact O-CB 3.49Å; L757-A760 PolarHBondContact O-N 3.18Å; D758-A760 PolarHBondContact O-N 3.46Å; A760-R763 PolarHBondContact O-N 2.84Å; A760-N764 PolarHBondContact O-N 2.84Å
761	Q	92.3	Very high	90.4	Very high	107 Å²	107	84.1 Å²	84.1	50%	0.5	44%	0.436	S	S	.	.	H	α-helix	trans	-68.1	-53.8	175.5	-71.6	175.1	-62.3	0	0	110.9	L757 D758 R763 N764 D765	L757-Q761 HydrophobicContact CD1-CG 4.46Å; L757-Q761 WeakPolarHBondContact O-CG 3.33Å; L757-Q761 PolarHBondContact O-N 3.37Å; D758-Q761 PolarHBondContact O-N 3.02Å; D758-Q761 VanDerWaalsContact O-N 3.16Å; Q761-R763 PolarHBondContact O-N 3.1Å; Q761-R763 VanDerWaalsContact O-N 3.08Å; Q761-N764 WeakPolarHBondContact O-CA 3.45Å; Q761-N764 VanDerWaalsContact O-CB 3.25Å; Q761-N764 WeakPolarHBondContact O-CB 3.48Å; Q761-N764 PolarHBondContact O-N 3.46Å; Q761-D765 PolarHBondContact O-N 3.38Å
762	M	90.2	Very high	90.2	Very high	95 Å²	95	82.4 Å²	82.4	47%	0.468	42%	0.422	S	S	.	.	H	α-helix	trans	-55.3	-32.8	174	-73	-174.3	-75.5	0	0	113	D758 V766	D758-M762 PolarHBondContact O-N 2.87Å; D758-M762 WeakPolarHBondContact OD2-CE 3.45Å; M762-V766 WeakPolarHBondContact O-CG2 3.34Å; M762-V766 PolarHBondContact O-N 2.76Å
763	R	86.6	Confident	89.9	Confident	102 Å²	102	80.1 Å²	80.1	39%	0.385	41%	0.414	S	S	.	.	H	α-helix	trans	-71.8	-35.3	173.7	-179	175.1	-178.2	174.1	5.7	112.4	A759 A760 Q761 I767	A759-R763 WeakPolarHBondContact O-CB 3.37Å; A759-R763 PolarHBondContact O-N 3.25Å; A760-R763 PolarHBondContact O-N 2.84Å; Q761-R763 PolarHBondContact O-N 3.1Å; Q761-R763 VanDerWaalsContact O-N 3.08Å; R763-I767 HydrophobicContact CG-CD1 4.01Å; R763-I767 WeakPolarHBondContact O-CD1 3.5Å; R763-I767 VanDerWaalsContact O-CG1 3.29Å; R763-I767 WeakPolarHBondContact O-CG1 3.46Å; R763-I767 PolarHBondContact O-N 2.72Å
764	N	88.9	Confident	89.7	Confident	74 Å²	74	80.6 Å²	80.6	40%	0.396	42%	0.417	S	S	.	.	H	α-helix	trans	-64.9	-47.6	174.9	-170.8	77.1	0	0	0	110.4	A760 Q761 V766 I767 E768	A760-N764 PolarHBondContact O-N 2.84Å; Q761-N764 WeakPolarHBondContact O-CA 3.45Å; Q761-N764 VanDerWaalsContact O-CB 3.25Å; Q761-N764 WeakPolarHBondContact O-CB 3.48Å; Q761-N764 PolarHBondContact O-N 3.46Å; N764-V766 VanDerWaalsContact C-N 3.31Å; N764-V766 PolarHBondContact O-N 3.44Å; N764-I767 CarbonylContact O-C 3.58Å; N764-I767 WeakPolarHBondContact O-CA 2.91Å; N764-I767 WeakPolarHBondContact O-CB 3.4Å; N764-I767 PolarHBondContact O-N 2.73Å; N764-E768 VanDerWaalsContact ND2-CD 3.29Å; N764-E768 PolarHBondContact ND2-OE1 2.96Å; N764-E768 PolarHBondContact O-N 3.5Å
765	D	89.9	Confident	89.6	Confident	93 Å²	93	76.7 Å²	76.7	50%	0.497	41%	0.411	S	S	.	.	H	α-helix	trans	-56.7	-43.1	179.3	-50.3	-23.2	0	0	0	111.9	Q761 I767 E768 E769	Q761-D765 PolarHBondContact O-N 3.38Å; D765-I767 VanDerWaalsContact C-N 3.33Å; D765-I767 PolarHBondContact O-N 3.07Å; D765-E768 PolarHBondContact O-N 2.78Å; D765-E769 WeakPolarHBondContact O-CB 3.41Å; D765-E769 PolarHBondContact O-N 3.37Å
766	V	87.8	Confident	89.5	Confident	91 Å²	91	76.9 Å²	76.9	55%	0.552	41%	0.406	S	S	*	.	H	α-helix	trans	-64	-35.5	174.7	169.6	0	0	0	0	112.5	M762 N764 D770	M762-V766 WeakPolarHBondContact O-CG2 3.34Å; M762-V766 PolarHBondContact O-N 2.76Å; N764-V766 VanDerWaalsContact C-N 3.31Å; N764-V766 PolarHBondContact O-N 3.44Å; V766-D770 PolarHBondContact O-N 2.98Å; V766-D770 VanDerWaalsContact O-N 3.15Å
767	I	87.9	Confident	89.6	Confident	73 Å²	73	75.8 Å²	75.8	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-75	-36.6	177.4	-70.2	167.9	0	0	0	110.9	R763 N764 D765 L771	R763-I767 HydrophobicContact CG-CD1 4.01Å; R763-I767 WeakPolarHBondContact O-CD1 3.5Å; R763-I767 VanDerWaalsContact O-CG1 3.29Å; R763-I767 WeakPolarHBondContact O-CG1 3.46Å; R763-I767 PolarHBondContact O-N 2.72Å; N764-I767 CarbonylContact O-C 3.58Å; N764-I767 WeakPolarHBondContact O-CA 2.91Å; N764-I767 WeakPolarHBondContact O-CB 3.4Å; N764-I767 PolarHBondContact O-N 2.73Å; D765-I767 VanDerWaalsContact C-N 3.33Å; D765-I767 PolarHBondContact O-N 3.07Å; I767-L771 WeakPolarHBondContact O-CB 3.46Å; I767-L771 PolarHBondContact O-N 2.74Å
768	E	89.1	Confident	89.6	Confident	113 Å²	113	72.2 Å²	72.2	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-68	-39	175.6	-72.5	-173.9	-172.4	0	0	111.9	N764 D765 L771 A772	N764-E768 VanDerWaalsContact ND2-CD 3.29Å; N764-E768 PolarHBondContact ND2-OE1 2.96Å; N764-E768 PolarHBondContact O-N 3.5Å; D765-E768 PolarHBondContact O-N 2.78Å; E768-L771 PolarHBondContact O-N 3.2Å; E768-A772 WeakPolarHBondContact O-CB 3.45Å; E768-A772 PolarHBondContact O-N 3.06Å
769	E	88.6	Confident	89.7	Confident	111 Å²	111	71.3 Å²	71.3	52%	0.519	38%	0.378	S	S	.	.	H	α-helix	trans	-65.7	-44.6	174	171	56.8	-159.7	0	0	112.4	D765 L771 A772 K773	D765-E769 WeakPolarHBondContact O-CB 3.41Å; D765-E769 PolarHBondContact O-N 3.37Å; E769-L771 VanDerWaalsContact C-N 3.35Å; E769-A772 PolarHBondContact O-N 2.96Å; E769-K773 WeakPolarHBondContact O-CG 3.37Å; E769-K773 PolarHBondContact O-N 3Å; E769-K773 VanDerWaalsContact O-N 3.15Å; E769-K773 WeakPolarHBondContact OE1-CE 3.48Å; E769-K773 IonicContact OE1-NZ 3.66Å; E769-K773 PolarHBondContact OE1-NZ 2.69Å
770	D	87	Confident	90	Very high	8 Å²	8	69.6 Å²	69.6	4%	0.043	36%	0.363	C	S	.	.	H	α-helix	trans	-68.9	-32.1	174	-91.1	9.1	0	0	0	112.4	M445 A446 L449 V766 K773 E774	M445-D770 HydrophobicContact CG-CB 4.26Å; M445-D770 WeakPolarHBondContact CG-OD2 3.28Å; A446-D770 WeakPolarHBondContact CB-OD2 3.31Å; A446-D770 PolarHBondContact N-OD2 3.04Å; L449-D770 HydrophobicContact CD2-CB 4.23Å; V766-D770 PolarHBondContact O-N 2.98Å; V766-D770 VanDerWaalsContact O-N 3.15Å; D770-K773 PolarHBondContact O-N 2.93Å; D770-K773 IonicContact OD1-NZ 3.41Å; D770-K773 PolarHBondContact OD1-NZ 3.18Å; D770-E774 PolarHBondContact O-N 3.4Å
771	L	89.6	Confident	90.4	Very high	103 Å²	103	74.1 Å²	74.1	54%	0.539	37%	0.373	S	S	.	.	H	α-helix	trans	-67.5	-38.7	171.2	178.5	61.2	0	0	0	111.7	I767 E768 E769 K773 E774 V775	I767-L771 WeakPolarHBondContact O-CB 3.46Å; I767-L771 PolarHBondContact O-N 2.74Å; E768-L771 PolarHBondContact O-N 3.2Å; E769-L771 VanDerWaalsContact C-N 3.35Å; L771-K773 VanDerWaalsContact C-N 3.31Å; L771-K773 PolarHBondContact O-N 3.18Å; L771-E774 PolarHBondContact O-N 3.29Å; L771-V775 HydrophobicContact CD1-CG2 4.38Å; L771-V775 HydrophobicContact CG-CG2 4.49Å; L771-V775 WeakPolarHBondContact O-CG2 3.27Å; L771-V775 PolarHBondContact O-N 3.18Å
772	A	88	Confident	90.5	Very high	37 Å²	37	76.1 Å²	76.1	31%	0.306	38%	0.376	S	S	.	.	H	α-helix	trans	-62.3	-38.6	176.9	0	0	0	0	0	111.6	E768 E769 V775 Q776	E768-A772 WeakPolarHBondContact O-CB 3.45Å; E768-A772 PolarHBondContact O-N 3.06Å; E769-A772 PolarHBondContact O-N 2.96Å; A772-V775 PolarHBondContact O-N 2.91Å; A772-Q776 WeakPolarHBondContact O-CG 3.33Å; A772-Q776 PolarHBondContact O-N 3.19Å
773	K	87.9	Confident	90.8	Very high	32 Å²	32	72 Å²	72	14%	0.139	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-48.2	171.1	-66.2	164.2	-154	162.3	0	111.3	E769 D770 L771 V775 Q776 N777	E769-K773 WeakPolarHBondContact O-CG 3.37Å; E769-K773 PolarHBondContact O-N 3Å; E769-K773 VanDerWaalsContact O-N 3.15Å; E769-K773 WeakPolarHBondContact OE1-CE 3.48Å; E769-K773 IonicContact OE1-NZ 3.66Å; E769-K773 PolarHBondContact OE1-NZ 2.69Å; D770-K773 PolarHBondContact O-N 2.93Å; D770-K773 IonicContact OD1-NZ 3.41Å; D770-K773 PolarHBondContact OD1-NZ 3.18Å; L771-K773 VanDerWaalsContact C-N 3.31Å; L771-K773 PolarHBondContact O-N 3.18Å; K773-V775 VanDerWaalsContact C-N 3.35Å; K773-V775 PolarHBondContact O-N 3.39Å; K773-Q776 CarbonylContact O-C 3.55Å; K773-Q776 WeakPolarHBondContact O-CA 3.46Å; K773-Q776 WeakPolarHBondContact O-CB 3.41Å; K773-Q776 PolarHBondContact O-N 2.93Å; K773-Q776 VanDerWaalsContact O-N 3.12Å; K773-N777 WeakPolarHBondContact O-CB 3.49Å; K773-N777 VanDerWaalsContact O-CG 3.23Å; K773-N777 PolarHBondContact O-N 2.84Å; K773-N777 PolarHBondContact O-ND2 3.47Å
774	E	90.3	Very high	91.2	Very high	72 Å²	72	69.9 Å²	69.9	34%	0.336	35%	0.352	S	S	.	.	H	α-helix	trans	-68.6	-30.5	179.8	-65.5	-49.7	119.1	0	0	113.6	M445 D770 L771 N777 G778	M445-E774 HydrophobicContact CB-CG 4.37Å; M445-E774 HydrophobicContact CE-CG 3.97Å; M445-E774 PolarHBondContact N-OE1 3.1Å; D770-E774 PolarHBondContact O-N 3.4Å; L771-E774 PolarHBondContact O-N 3.29Å; E774-N777 PolarHBondContact O-N 3.21Å; E774-N777 PolarHBondContact OE1-ND2 2.89Å; E774-G778 PolarHBondContact O-N 2.92Å
775	V	92	Very high	91.5	Very high	90 Å²	90	68.6 Å²	68.6	55%	0.545	35%	0.351	S	S	.	.	H	α-helix	trans	-64.8	-41.4	169.3	169.7	0	0	0	0	111.2	L771 A772 K773 R779	L771-V775 HydrophobicContact CD1-CG2 4.38Å; L771-V775 HydrophobicContact CG-CG2 4.49Å; L771-V775 WeakPolarHBondContact O-CG2 3.27Å; L771-V775 PolarHBondContact O-N 3.18Å; A772-V775 PolarHBondContact O-N 2.91Å; K773-V775 VanDerWaalsContact C-N 3.35Å; K773-V775 PolarHBondContact O-N 3.39Å; V775-R779 WeakPolarHBondContact O-CB 3.18Å; V775-R779 PolarHBondContact O-N 2.63Å; V775-R779 VanDerWaalsContact O-N 3.1Å
776	Q	90.1	Very high	91.7	Very high	87 Å²	87	67.5 Å²	67.5	41%	0.407	34%	0.342	S	S	.	.	H	α-helix	trans	-64.7	-48.1	172.7	-70.5	175.2	51.7	0	0	111.4	A772 K773 G778 R779 L780	A772-Q776 WeakPolarHBondContact O-CG 3.33Å; A772-Q776 PolarHBondContact O-N 3.19Å; K773-Q776 CarbonylContact O-C 3.55Å; K773-Q776 WeakPolarHBondContact O-CA 3.46Å; K773-Q776 WeakPolarHBondContact O-CB 3.41Å; K773-Q776 PolarHBondContact O-N 2.93Å; K773-Q776 VanDerWaalsContact O-N 3.12Å; Q776-G778 VanDerWaalsContact C-N 3.33Å; Q776-G778 PolarHBondContact O-N 3.31Å; Q776-R779 CarbonylContact O-C 3.58Å; Q776-R779 WeakPolarHBondContact O-CA 3.41Å; Q776-R779 WeakPolarHBondContact O-CB 3.38Å; Q776-R779 PolarHBondContact O-N 2.76Å; Q776-L780 VanDerWaalsContact O-CG 3.27Å; Q776-L780 WeakPolarHBondContact O-CG 3.24Å; Q776-L780 PolarHBondContact O-N 2.71Å
777	N	91.7	Very high	92	Very high	25 Å²	25	63.4 Å²	63.4	13%	0.134	32%	0.317	C	S	.	.	H	α-helix	trans	-59.7	-41.5	178.7	-68.7	-31.3	0	0	0	111.6	F443 F444 K773 E774 R779 L780 F781	F443-N777 PolarHBondContact O-ND2 3.44Å; F443-N777 PolarHBondContact O-OD1 3.29Å; F444-N777 WeakPolarHBondContact CD1-ND2 3.36Å; K773-N777 WeakPolarHBondContact O-CB 3.49Å; K773-N777 VanDerWaalsContact O-CG 3.23Å; K773-N777 PolarHBondContact O-N 2.84Å; K773-N777 PolarHBondContact O-ND2 3.47Å; E774-N777 PolarHBondContact O-N 3.21Å; E774-N777 PolarHBondContact OE1-ND2 2.89Å; N777-R779 PolarHBondContact O-N 3.36Å; N777-L780 PolarHBondContact O-N 3.5Å; N777-F781 WeakPolarHBondContact O-CB 2.87Å; N777-F781 PolarHBondContact O-N 2.99Å
778	G	93.7	Very high	92.2	Very high	21 Å²	21	62.6 Å²	62.6	22%	0.216	33%	0.327	C	S	.	.	H	α-helix	trans	-64.2	-34.8	172.7	0	0	0	0	0	113.8	E774 Q776 R782	E774-G778 PolarHBondContact O-N 2.92Å; Q776-G778 VanDerWaalsContact C-N 3.33Å; Q776-G778 PolarHBondContact O-N 3.31Å; G778-R782 WeakPolarHBondContact O-CG 3.41Å; G778-R782 VanDerWaalsContact O-CZ 3.24Å; G778-R782 PolarHBondContact O-N 3.04Å; G778-R782 PolarHBondContact O-NH1 3.42Å; G778-R782 VanDerWaalsContact O-NH1 3.12Å
779	R	94.9	Very high	92.3	Very high	63 Å²	63	60 Å²	60	24%	0.238	32%	0.319	C	S	.	.	H	α-helix	trans	-68.6	-46.1	173.2	164.7	174.3	159.5	-98.4	-0.6	111.5	V775 Q776 N777 R782 L783 N840 D843	V775-R779 WeakPolarHBondContact O-CB 3.18Å; V775-R779 PolarHBondContact O-N 2.63Å; V775-R779 VanDerWaalsContact O-N 3.1Å; Q776-R779 CarbonylContact O-C 3.58Å; Q776-R779 WeakPolarHBondContact O-CA 3.41Å; Q776-R779 WeakPolarHBondContact O-CB 3.38Å; Q776-R779 PolarHBondContact O-N 2.76Å; N777-R779 PolarHBondContact O-N 3.36Å; R779-R782 PolarHBondContact O-N 2.78Å; R779-L783 HydrophobicContact CG-CD1 4.18Å; R779-L783 WeakPolarHBondContact O-CD1 3.36Å; R779-L783 WeakPolarHBondContact O-CG 3.27Å; R779-L783 PolarHBondContact O-N 3.47Å; R779-N840 PolarHBondContact NH1-OD1 3.27Å; R779-D843 IonicContact CZ-OD2 2.76Å; R779-D843 IonicContact NE-OD1 2.77Å; R779-D843 IonicContact NE-OD2 2.88Å; R779-D843 PolarHBondContact NE-OD2 3.19Å; R779-D843 IonicContact NH2-OD2 3.27Å; R779-D843 PolarHBondContact NH2-OD2 2.9Å
780	L	95	Very high	92.4	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.052	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-43.3	175.5	-64.8	169	0	0	0	111.7	Q776 N777 R782 L783 L784 I836 L839	Q776-L780 VanDerWaalsContact O-CG 3.27Å; Q776-L780 WeakPolarHBondContact O-CG 3.24Å; Q776-L780 PolarHBondContact O-N 2.71Å; N777-L780 PolarHBondContact O-N 3.5Å; L780-R782 PolarHBondContact O-N 3.3Å; L780-L783 HydrophobicContact CD2-CD1 4.48Å; L780-L783 WeakPolarHBondContact O-CB 3.45Å; L780-L783 PolarHBondContact O-N 2.87Å; L780-L784 WeakPolarHBondContact O-CG 3.48Å; L780-L784 PolarHBondContact O-N 2.9Å; L780-I836 HydrophobicContact CD1-CG1 4.21Å; L780-I836 HydrophobicContact CD1-CG2 4.05Å; L780-L839 HydrophobicContact CD2-CB 3.42Å; L780-L839 VanDerWaalsContact CD2-CB 3.42Å; L780-L839 HydrophobicContact CD2-CD1 4.15Å; L780-L839 HydrophobicContact CD2-CG 4.44Å
781	F	96	Very high	92.5	Very high	149 Å²	149	55.4 Å²	55.4	65%	0.654	30%	0.298	S	S	*	.	H	α-helix	trans	-59.2	-45	174	176.1	-101	0	0	0	112.4	N777 L783 L784 A785	N777-F781 WeakPolarHBondContact O-CB 2.87Å; N777-F781 PolarHBondContact O-N 2.99Å; F781-L783 VanDerWaalsContact C-N 3.31Å; F781-L783 PolarHBondContact O-N 3.03Å; F781-L784 PolarHBondContact O-N 3.46Å; F781-A785 WeakPolarHBondContact O-CB 3.5Å; F781-A785 PolarHBondContact O-N 3.16Å
782	R	95.8	Very high	92.2	Very high	149 Å²	149	54.2 Å²	54.2	56%	0.562	29%	0.29	S	S	*	.	H	α-helix	trans	-62.2	-36.9	176.2	-73.1	-176.8	-62	-91.7	6.2	112.4	G778 R779 L780 K786	G778-R782 WeakPolarHBondContact O-CG 3.41Å; G778-R782 VanDerWaalsContact O-CZ 3.24Å; G778-R782 PolarHBondContact O-N 3.04Å; G778-R782 PolarHBondContact O-NH1 3.42Å; G778-R782 VanDerWaalsContact O-NH1 3.12Å; R779-R782 PolarHBondContact O-N 2.78Å; L780-R782 PolarHBondContact O-N 3.3Å; R782-K786 WeakPolarHBondContact O-CG 3.46Å; R782-K786 PolarHBondContact O-N 3.07Å; R782-K786 VanDerWaalsContact O-N 3.11Å
783	L	95.5	Very high	92	Very high	8 Å²	8	56 Å²	56	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-44.4	175	-70.1	157.7	0	0	0	111.7	R779 L780 F781 K786 L787 D843 F872	R779-L783 HydrophobicContact CG-CD1 4.18Å; R779-L783 WeakPolarHBondContact O-CD1 3.36Å; R779-L783 WeakPolarHBondContact O-CG 3.27Å; R779-L783 PolarHBondContact O-N 3.47Å; L780-L783 HydrophobicContact CD2-CD1 4.48Å; L780-L783 WeakPolarHBondContact O-CB 3.45Å; L780-L783 PolarHBondContact O-N 2.87Å; F781-L783 VanDerWaalsContact C-N 3.31Å; F781-L783 PolarHBondContact O-N 3.03Å; L783-K786 PolarHBondContact O-N 3.32Å; L783-L787 WeakPolarHBondContact O-CB 3.34Å; L783-L787 PolarHBondContact O-N 3.37Å; L783-D843 HydrophobicContact CD1-CB 3.49Å; L783-D843 VanDerWaalsContact CD1-CB 3.49Å; L783-D843 HydrophobicContact CD2-CB 3.98Å; L783-D843 HydrophobicContact CG-CB 4.36Å; L783-F872 HydrophobicContact CD2-CE1 3.67Å; L783-F872 HydrophobicContact CD2-CZ 3.85Å
784	L	95.4	Very high	91.6	Very high	58 Å²	58	59.9 Å²	59.9	30%	0.304	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-39.4	177.1	-70.2	-177.3	0	0	0	112.8	L780 F781 L787 G788 L818 F819 L839	L780-L784 WeakPolarHBondContact O-CG 3.48Å; L780-L784 PolarHBondContact O-N 2.9Å; F781-L784 PolarHBondContact O-N 3.46Å; L784-L787 HydrophobicContact CD2-CD2 4.44Å; L784-L787 PolarHBondContact O-N 3.4Å; L784-G788 PolarHBondContact O-N 2.91Å; L784-L818 HydrophobicContact CD2-CD2 4.21Å; L784-F819 HydrophobicContact CD1-CZ 4.5Å; L784-F819 HydrophobicContact CD2-CE2 4.27Å; L784-F819 HydrophobicContact CD2-CZ 3.63Å; L784-L839 HydrophobicContact CD1-CD1 4.09Å; L784-L839 HydrophobicContact CD2-CD1 3.76Å; L784-L839 HydrophobicContact CD2-CD2 3.79Å; L784-L839 HydrophobicContact CD2-CG 4.4Å; L784-L839 HydrophobicContact CG-CD1 3.91Å; L784-L839 HydrophobicContact CG-CD2 4.46Å
785	A	95.5	Very high	91	Very high	47 Å²	47	62.9 Å²	62.9	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-45.2	174.1	0	0	0	0	0	111.8	F781 G788 T789	F781-A785 WeakPolarHBondContact O-CB 3.5Å; F781-A785 PolarHBondContact O-N 3.16Å; A785-G788 PolarHBondContact O-N 3.12Å; A785-T789 PolarHBondContact O-N 2.97Å; A785-T789 PolarHBondContact O-OG1 2.76Å
786	K	94.5	Very high	90.5	Very high	71 Å²	71	59.4 Å²	59.4	31%	0.309	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-47.8	172.6	-73.4	-178.1	174.9	-172.5	0	111.9	R782 L783 G788 T789 I790 F872 F876	R782-K786 WeakPolarHBondContact O-CG 3.46Å; R782-K786 PolarHBondContact O-N 3.07Å; R782-K786 VanDerWaalsContact O-N 3.11Å; L783-K786 PolarHBondContact O-N 3.32Å; K786-G788 VanDerWaalsContact C-N 3.33Å; K786-G788 PolarHBondContact O-N 3.34Å; K786-T789 WeakPolarHBondContact O-CA 3.49Å; K786-T789 WeakPolarHBondContact O-CB 3.2Å; K786-T789 PolarHBondContact O-N 2.95Å; K786-I790 WeakPolarHBondContact O-CG1 3.5Å; K786-I790 PolarHBondContact O-N 2.88Å; K786-F872 HydrophobicContact CB-CE2 3.76Å; K786-F872 HydrophobicContact CB-CZ 3.51Å; K786-F872 HydrophobicContact CD-CE1 3.98Å; K786-F872 HydrophobicContact CD-CZ 3.69Å; K786-F872 HydrophobicContact CG-CZ 4.26Å; K786-F876 HydrophobicContact CB-CD2 4.08Å; K786-F876 HydrophobicContact CB-CE2 4.09Å; K786-F876 HydrophobicContact CD-CD1 3.93Å; K786-F876 HydrophobicContact CD-CE1 3.96Å; K786-F876 HydrophobicContact CD-CG 4.22Å; K786-F876 HydrophobicContact CD-CZ 4.3Å; K786-F876 HydrophobicContact CG-CD1 4.15Å; K786-F876 HydrophobicContact CG-CD2 4.02Å; K786-F876 HydrophobicContact CG-CE1 3.86Å; K786-F876 HydrophobicContact CG-CE2 3.75Å; K786-F876 HydrophobicContact CG-CG 4.23Å; K786-F876 HydrophobicContact CG-CZ 3.68Å
787	L	93.4	Very high	90	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-62.8	-39	-178.6	-173.7	59.8	0	0	0	111.7	L783 L784 T789 I790 N791 L811 L818 F872	L783-L787 WeakPolarHBondContact O-CB 3.34Å; L783-L787 PolarHBondContact O-N 3.37Å; L784-L787 HydrophobicContact CD2-CD2 4.44Å; L784-L787 PolarHBondContact O-N 3.4Å; L787-T789 VanDerWaalsContact C-N 3.31Å; L787-T789 PolarHBondContact O-N 2.68Å; L787-I790 PolarHBondContact O-N 3.22Å; L787-N791 VanDerWaalsContact CD1-ND2 3.27Å; L787-N791 WeakPolarHBondContact CD1-ND2 3.23Å; L787-N791 WeakPolarHBondContact CG-ND2 3.46Å; L787-N791 WeakPolarHBondContact O-CB 3.33Å; L787-N791 PolarHBondContact O-N 3.16Å; L787-N791 PolarHBondContact O-ND2 3.43Å; L787-L811 HydrophobicContact CD1-CB 4.43Å; L787-L818 HydrophobicContact CD2-CD2 4.3Å; L787-F872 HydrophobicContact CB-CE2 4.1Å; L787-F872 HydrophobicContact CD1-CD2 4.44Å; L787-F872 HydrophobicContact CD1-CE2 4.46Å
788	G	91.8	Very high	89.5	Confident	56 Å²	56	69 Å²	69	58%	0.577	35%	0.349	S	S	*	.	H	α-helix	trans	-72.2	-16.9	171.6	0	0	0	0	0	114.9	L784 A785 K786	L784-G788 PolarHBondContact O-N 2.91Å; A785-G788 PolarHBondContact O-N 3.12Å; K786-G788 VanDerWaalsContact C-N 3.33Å; K786-G788 PolarHBondContact O-N 3.34Å
789	T	91.3	Very high	89.1	Confident	60 Å²	60	70.4 Å²	70.4	37%	0.368	35%	0.352	S	S	.	.	H	α-helix	trans	-81.7	-18.7	173.5	-55.4	0	0	0	0	112.2	A785 K786 L787 R793 F876 L879	A785-T789 PolarHBondContact O-N 2.97Å; A785-T789 PolarHBondContact O-OG1 2.76Å; K786-T789 WeakPolarHBondContact O-CA 3.49Å; K786-T789 WeakPolarHBondContact O-CB 3.2Å; K786-T789 PolarHBondContact O-N 2.95Å; L787-T789 VanDerWaalsContact C-N 3.31Å; L787-T789 PolarHBondContact O-N 2.68Å; T789-R793 PolarHBondContact O-NE 3.04Å; T789-R793 PolarHBondContact O-NH2 3.43Å; T789-F876 HydrophobicContact CG2-CE2 4.3Å; T789-L879 HydrophobicContact CG2-CD1 4.18Å; T789-L879 WeakPolarHBondContact O-CD1 3.46Å
790	I	90.8	Very high	88.5	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-96.9	-52	179.3	-64.6	167.5	0	0	0	111.3	K786 L787 W802 L811 F872 T875 F876 L879	K786-I790 WeakPolarHBondContact O-CG1 3.5Å; K786-I790 PolarHBondContact O-N 2.88Å; L787-I790 PolarHBondContact O-N 3.22Å; I790-W802 HydrophobicContact CG2-CH2 4.34Å; I790-W802 HydrophobicContact CG2-CZ3 4.31Å; I790-L811 HydrophobicContact CD1-CD1 4.26Å; I790-L811 HydrophobicContact CG2-CD1 4.06Å; I790-F872 HydrophobicContact CD1-CD2 4.02Å; I790-F872 HydrophobicContact CD1-CE2 4.34Å; I790-T875 HydrophobicContact CB-CG2 4.46Å; I790-T875 HydrophobicContact CD1-CG2 4.08Å; I790-T875 HydrophobicContact CG1-CG2 4.05Å; I790-T875 HydrophobicContact CG2-CG2 3.6Å; I790-F876 HydrophobicContact CD1-CB 4.22Å; I790-F876 HydrophobicContact CD1-CD2 4.41Å; I790-L879 HydrophobicContact CG1-CD1 3.84Å
791	N	88.6	Confident	88	Confident	21 Å²	21	74.9 Å²	74.9	11%	0.112	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	138.5	-167.5	-73.8	-24.3	0	0	0	113.8	L787 R793 R815	L787-N791 VanDerWaalsContact CD1-ND2 3.27Å; L787-N791 WeakPolarHBondContact CD1-ND2 3.23Å; L787-N791 WeakPolarHBondContact CG-ND2 3.46Å; L787-N791 WeakPolarHBondContact O-CB 3.33Å; L787-N791 PolarHBondContact O-N 3.16Å; L787-N791 PolarHBondContact O-ND2 3.43Å; N791-R793 PolarHBondContact O-N 2.94Å; N791-R815 WeakPolarHBondContact ND2-CB 3.44Å
792	E	83.3	Confident	87.5	Confident	78 Å²	78	68.2 Å²	68.2	36%	0.364	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	30.2	178.9	-42.4	-83.7	-173.8	0	0	113	P794 K812 R815 R855	E792-P794 WeakPolarHBondContact O-CD 3.29Å; E792-K812 VanDerWaalsContact CD-CE 3.47Å; E792-K812 VanDerWaalsContact OE1-CE 3.23Å; E792-K812 WeakPolarHBondContact OE1-CE 3.47Å; E792-K812 IonicContact OE1-NZ 2.64Å; E792-K812 VanDerWaalsContact OE2-CE 3.26Å; E792-K812 WeakPolarHBondContact OE2-CE 3.44Å; E792-K812 IonicContact OE2-NZ 3.6Å; E792-K812 PolarHBondContact OE2-NZ 3.13Å; E792-R815 IonicContact OE1-CZ 3.8Å; E792-R815 VanDerWaalsContact OE1-CZ 3.28Å; E792-R815 IonicContact OE1-NH1 3.73Å; E792-R815 PolarHBondContact OE1-NH1 2.85Å; E792-R815 IonicContact OE1-NH2 2.96Å; E792-R815 PolarHBondContact OE1-NH2 3.04Å; E792-R815 VanDerWaalsContact OE1-NH2 3.11Å; E792-R855 IonicContact OE1-CZ 3.28Å; E792-R855 IonicContact OE1-NH1 3.62Å; E792-R855 IonicContact OE1-NH2 2.91Å; E792-R855 PolarHBondContact OE1-NH2 3.45Å
793	R	83.8	Confident	86.9	Confident	74 Å²	74	61.5 Å²	61.5	28%	0.279	34%	0.335	S	S	.	.			trans	-62	119.6	173.4	171.8	173	-70.6	-106.7	-0.2	109.6	T789 N791 E795 W802	T789-R793 PolarHBondContact O-NE 3.04Å; T789-R793 PolarHBondContact O-NH2 3.43Å; N791-R793 PolarHBondContact O-N 2.94Å; R793-E795 VanDerWaalsContact C-N 3.34Å; R793-E795 WeakPolarHBondContact CD-O 3.36Å; R793-E795 VanDerWaalsContact CG-O 3.28Å; R793-E795 WeakPolarHBondContact CG-O 3.43Å; R793-E795 PolarHBondContact O-N 2.92Å; R793-W802 HydrophobicContact CB-CE3 4.28Å; R793-W802 HydrophobicContact CB-CZ3 4.28Å; R793-W802 HydrophobicContact CG-CE3 4.46Å
794	P	79.9	Confident	86.2	Confident	114 Å²	114	64.7 Å²	64.7	74%	0.74	35%	0.35	S	S	*	.	S	Bend	trans	-64.6	-31.9	-171.7	-25.8	35.4	0	0	0	115.4	E792	E792-P794 WeakPolarHBondContact O-CD 3.29Å
795	E	78.9	Confident	85.7	Confident	135 Å²	135	65 Å²	65	63%	0.631	35%	0.354	S	S	*	.			trans	-154.6	151.1	173.6	59.7	175.8	173.4	0	0	111.2	R793 D799	R793-E795 VanDerWaalsContact C-N 3.34Å; R793-E795 WeakPolarHBondContact CD-O 3.36Å; R793-E795 VanDerWaalsContact CG-O 3.28Å; R793-E795 WeakPolarHBondContact CG-O 3.43Å; R793-E795 PolarHBondContact O-N 2.92Å; E795-D799 WeakPolarHBondContact CA-O 3.28Å
796	F	81.2	Confident	85.3	Confident	17 Å²	17	65.4 Å²	65.4	8%	0.075	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-145.2	131.8	166.8	-175.5	-109.5	0	0	0	109.7	K798 D799 W802 E878 L879 A882	F796-K798 PolarHBondContact O-N 3.29Å; F796-D799 PolarHBondContact N-O 3.45Å; F796-D799 WeakPolarHBondContact O-CB 3.34Å; F796-D799 PolarHBondContact O-N 3.02Å; F796-W802 HydrophobicContact CB-CB 4.02Å; F796-W802 HydrophobicContact CB-CD2 3.85Å; F796-W802 HydrophobicContact CB-CE3 4.28Å; F796-W802 HydrophobicContact CB-CG 3.73Å; F796-W802 AromaticContact CD1-CD1 3.57Å; F796-W802 HydrophobicContact CD1-CD2 4.11Å; F796-W802 AromaticContact CD1-CE2 3.69Å; F796-W802 HydrophobicContact CD1-CG 4.03Å; F796-W802 HydrophobicContact CD1-CZ2 4.32Å; F796-W802 AromaticContact CD1-NE1 3.33Å; F796-W802 VanDerWaalsContact CD1-NE1 3.33Å; F796-W802 AromaticContact CE1-NE1 3.84Å; F796-W802 HydrophobicContact CG-CD2 4.19Å; F796-W802 HydrophobicContact CG-CG 4.28Å; F796-E878 HydrophobicContact CE1-CG 3.91Å; F796-E878 WeakPolarHBondContact CE1-OE1 3.31Å; F796-E878 HydrophobicContact CZ-CG 4.17Å; F796-L879 HydrophobicContact CD2-CD2 3.61Å; F796-L879 HydrophobicContact CE2-CD2 3.42Å; F796-L879 VanDerWaalsContact CE2-CD2 3.42Å; F796-L879 HydrophobicContact CG-CD2 4.27Å; F796-L879 HydrophobicContact CZ-CD2 3.91Å; F796-A882 HydrophobicContact CE2-CB 3.62Å; F796-A882 HydrophobicContact CZ-CB 3.47Å; F796-A882 VanDerWaalsContact CZ-CB 3.47Å
797	Q	80.1	Confident	85	Confident	117 Å²	117	64.5 Å²	64.5	55%	0.547	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	29.3	-177.9	-65.9	-175.3	-27	0	0	115	D799	Q797-D799 VanDerWaalsContact C-N 3.32Å
798	K	81.1	Confident	84.9	Confident	195 Å²	195	66.4 Å²	66.4	85%	0.848	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	9.1	-173.8	-46.6	168.5	-175.2	169.4	0	115.8	F796 P800	F796-K798 PolarHBondContact O-N 3.29Å; K798-P800 WeakPolarHBondContact O-CD 3.5Å
799	D	83.8	Confident	84.8	Confident	52 Å²	52	67.3 Å²	67.3	28%	0.278	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-90.6	114.3	165.8	178.1	16.2	0	0	0	110.3	E795 F796 Q797 T801 W802	E795-D799 WeakPolarHBondContact CA-O 3.28Å; F796-D799 PolarHBondContact N-O 3.45Å; F796-D799 WeakPolarHBondContact O-CB 3.34Å; F796-D799 PolarHBondContact O-N 3.02Å; Q797-D799 VanDerWaalsContact C-N 3.32Å; D799-T801 VanDerWaalsContact C-N 3.28Å; D799-T801 WeakPolarHBondContact OD1-CA 3.45Å; D799-T801 WeakPolarHBondContact OD1-CB 3.44Å; D799-T801 PolarHBondContact OD1-N 3.04Å; D799-T801 PolarHBondContact OD1-OG1 2.77Å; D799-W802 HydrophobicContact CB-CB 4.32Å; D799-W802 VanDerWaalsContact OD2-CA 3.27Å; D799-W802 WeakPolarHBondContact OD2-CA 3.31Å; D799-W802 PolarHBondContact OD2-N 3.4Å; D799-W802 VanDerWaalsContact OD2-N 3.14Å
800	P	82.4	Confident	84.9	Confident	94 Å²	94	66 Å²	66	61%	0.61	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.4	174.1	35.4	-35.8	0	0	0	113.4	K798	K798-P800 WeakPolarHBondContact O-CD 3.5Å
801	T	85.2	Confident	85	Confident	72 Å²	72	66 Å²	66	44%	0.442	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	5.8	179.5	64.6	0	0	0	0	113.4	D799 S803 E804	D799-T801 VanDerWaalsContact C-N 3.28Å; D799-T801 WeakPolarHBondContact OD1-CA 3.45Å; D799-T801 WeakPolarHBondContact OD1-CB 3.44Å; D799-T801 PolarHBondContact OD1-N 3.04Å; D799-T801 PolarHBondContact OD1-OG1 2.77Å; T801-S803 VanDerWaalsContact C-N 3.28Å; T801-S803 PolarHBondContact O-N 3.36Å; T801-E804 WeakPolarHBondContact O-CA 3.48Å; T801-E804 WeakPolarHBondContact O-CB 3.48Å; T801-E804 PolarHBondContact O-N 2.7Å
802	W	85.5	Confident	85.2	Confident	10 Å²	10	65.3 Å²	65.3	4%	0.038	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-56.4	-36.1	-174.3	-179.5	88.2	0	0	0	113.9	I790 R793 F796 D799 E804 T805 R808 T875 E878 L879	I790-W802 HydrophobicContact CG2-CH2 4.34Å; I790-W802 HydrophobicContact CG2-CZ3 4.31Å; R793-W802 HydrophobicContact CB-CE3 4.28Å; R793-W802 HydrophobicContact CB-CZ3 4.28Å; R793-W802 HydrophobicContact CG-CE3 4.46Å; F796-W802 HydrophobicContact CB-CB 4.02Å; F796-W802 HydrophobicContact CB-CD2 3.85Å; F796-W802 HydrophobicContact CB-CE3 4.28Å; F796-W802 HydrophobicContact CB-CG 3.73Å; F796-W802 AromaticContact CD1-CD1 3.57Å; F796-W802 HydrophobicContact CD1-CD2 4.11Å; F796-W802 AromaticContact CD1-CE2 3.69Å; F796-W802 HydrophobicContact CD1-CG 4.03Å; F796-W802 HydrophobicContact CD1-CZ2 4.32Å; F796-W802 AromaticContact CD1-NE1 3.33Å; F796-W802 VanDerWaalsContact CD1-NE1 3.33Å; F796-W802 AromaticContact CE1-NE1 3.84Å; F796-W802 HydrophobicContact CG-CD2 4.19Å; F796-W802 HydrophobicContact CG-CG 4.28Å; D799-W802 HydrophobicContact CB-CB 4.32Å; D799-W802 VanDerWaalsContact OD2-CA 3.27Å; D799-W802 WeakPolarHBondContact OD2-CA 3.31Å; D799-W802 PolarHBondContact OD2-N 3.4Å; D799-W802 VanDerWaalsContact OD2-N 3.14Å; W802-E804 VanDerWaalsContact C-N 3.26Å; W802-E804 PolarHBondContact O-N 2.64Å; W802-T805 PolarHBondContact O-OG1 2.59Å; W802-R808 HydrophobicContact CD2-CG 4.41Å; W802-R808 HydrophobicContact CE3-CG 4.39Å; W802-R808 HydrophobicContact CH2-CG 4.25Å; W802-R808 HydrophobicContact CZ2-CG 4.28Å; W802-R808 HydrophobicContact CZ3-CG 4.3Å; W802-R808 WeakPolarHBondContact O-CB 3.32Å; W802-R808 WeakPolarHBondContact O-CD 3.36Å; W802-R808 WeakPolarHBondContact O-CG 3.4Å; W802-T875 HydrophobicContact CH2-CG2 3.43Å; W802-T875 VanDerWaalsContact CH2-CG2 3.43Å; W802-T875 HydrophobicContact CZ2-CG2 3.71Å; W802-T875 HydrophobicContact CZ3-CG2 4.4Å; W802-E878 PolarHBondContact NE1-OE1 3.47Å; W802-L879 HydrophobicContact CH2-CD1 3.89Å; W802-L879 HydrophobicContact CH2-CD2 3.59Å; W802-L879 HydrophobicContact CH2-CG 3.77Å; W802-L879 HydrophobicContact CZ2-CD2 3.85Å; W802-L879 HydrophobicContact CZ2-CG 4.17Å; W802-L879 HydrophobicContact CZ3-CD2 4.26Å
803	S	82.1	Confident	85.7	Confident	8 Å²	8	61.8 Å²	61.8	6%	0.056	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-74.7	-12.1	176.2	60.8	0	0	0	0	114.6	T801	T801-S803 VanDerWaalsContact C-N 3.28Å; T801-S803 PolarHBondContact O-N 3.36Å
804	E	82.7	Confident	86.3	Confident	75 Å²	75	58.3 Å²	58.3	35%	0.35	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-100.5	-1.3	-172.1	-50.5	-50.4	106.5	0	0	113.5	T801 W802 Y809 K812	T801-E804 WeakPolarHBondContact O-CA 3.48Å; T801-E804 WeakPolarHBondContact O-CB 3.48Å; T801-E804 PolarHBondContact O-N 2.7Å; W802-E804 VanDerWaalsContact C-N 3.26Å; W802-E804 PolarHBondContact O-N 2.64Å; E804-Y809 WeakPolarHBondContact O-CD2 3.43Å; E804-K812 IonicContact OE1-NZ 2.75Å; E804-K812 PolarHBondContact OE1-NZ 3.47Å; E804-K812 IonicContact OE2-NZ 2.77Å; E804-K812 PolarHBondContact OE2-NZ 3.13Å
805	T	84.3	Confident	86.9	Confident	64 Å²	64	54.8 Å²	54.8	39%	0.393	28%	0.284	S	S	.	.	S	Bend	trans	-118.7	150.3	-170.5	60.6	0	0	0	0	113.1	W802 D807 R808 Y809	W802-T805 PolarHBondContact O-OG1 2.59Å; T805-D807 PolarHBondContact O-N 2.88Å; T805-R808 WeakPolarHBondContact O-CB 3.45Å; T805-R808 WeakPolarHBondContact O-CD 3.44Å; T805-R808 PolarHBondContact O-N 3.11Å; T805-Y809 PolarHBondContact O-N 3.3Å
806	G	86.8	Confident	87.6	Confident	56 Å²	56	49.4 Å²	49.4	58%	0.577	26%	0.259	S	S	*	.	H	α-helix	trans	48	-132.9	170.9	0	0	0	0	0	115.2	R808 Y809 L810	G806-R808 PolarHBondContact O-N 2.98Å; G806-R808 VanDerWaalsContact O-N 3.16Å; G806-Y809 WeakPolarHBondContact O-CB 3.44Å; G806-Y809 PolarHBondContact O-N 3.19Å; G806-Y809 VanDerWaalsContact O-N 3.08Å; G806-L810 PolarHBondContact O-N 2.96Å
807	D	87.9	Confident	88.2	Confident	51 Å²	51	50.6 Å²	50.6	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-52	-33.5	177.2	-73.1	23	0	0	0	113	T805 L810 L811 C871	T805-D807 PolarHBondContact O-N 2.88Å; D807-L810 PolarHBondContact O-N 3.34Å; D807-L811 WeakPolarHBondContact O-CG 3.26Å; D807-L811 PolarHBondContact O-N 3.31Å; D807-C871 HydrophobicContact CB-CB 3.81Å; D807-C871 WeakPolarHBondContact OD2-CA 3.47Å
808	R	90.7	Very high	88.8	Confident	44 Å²	44	45.1 Å²	45.1	17%	0.166	24%	0.24	C	C	.	.	H	α-helix	trans	-69.6	-38.4	179.5	-56.9	90.5	-133	-144.3	-5.1	111.8	W802 T805 G806 L810 L811 K812 T875 E878	W802-R808 HydrophobicContact CD2-CG 4.41Å; W802-R808 HydrophobicContact CE3-CG 4.39Å; W802-R808 HydrophobicContact CH2-CG 4.25Å; W802-R808 HydrophobicContact CZ2-CG 4.28Å; W802-R808 HydrophobicContact CZ3-CG 4.3Å; W802-R808 WeakPolarHBondContact O-CB 3.32Å; W802-R808 WeakPolarHBondContact O-CD 3.36Å; W802-R808 WeakPolarHBondContact O-CG 3.4Å; T805-R808 WeakPolarHBondContact O-CB 3.45Å; T805-R808 WeakPolarHBondContact O-CD 3.44Å; T805-R808 PolarHBondContact O-N 3.11Å; G806-R808 PolarHBondContact O-N 2.98Å; G806-R808 VanDerWaalsContact O-N 3.16Å; R808-L810 VanDerWaalsContact C-N 3.31Å; R808-L810 PolarHBondContact O-N 3.43Å; R808-L811 PolarHBondContact O-N 3.39Å; R808-L811 VanDerWaalsContact O-N 3.16Å; R808-K812 PolarHBondContact O-N 3.5Å; R808-T875 HydrophobicContact CG-CG2 3.7Å; R808-T875 PolarHBondContact NE-OG1 2.91Å; R808-E878 IonicContact CZ-OE2 2.77Å; R808-E878 IonicContact NH1-OE1 2.67Å; R808-E878 IonicContact NH1-OE2 2.69Å; R808-E878 PolarHBondContact NH1-OE2 2.85Å; R808-E878 IonicContact NH2-OE2 2.64Å; R808-E878 PolarHBondContact NH2-OE2 3.04Å
809	Y	90.6	Very high	89.5	Confident	75 Å²	75	39.9 Å²	39.9	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-62.3	-38.3	174.7	-170.5	-106.7	0	0	0	112	E804 T805 G806 L811 K812 L813	E804-Y809 WeakPolarHBondContact O-CD2 3.43Å; T805-Y809 PolarHBondContact O-N 3.3Å; G806-Y809 WeakPolarHBondContact O-CB 3.44Å; G806-Y809 PolarHBondContact O-N 3.19Å; G806-Y809 VanDerWaalsContact O-N 3.08Å; Y809-L811 PolarHBondContact O-N 2.99Å; Y809-K812 WeakPolarHBondContact O-CB 3.38Å; Y809-K812 PolarHBondContact O-N 3.2Å; Y809-L813 HydrophobicContact CD1-CD1 4.15Å; Y809-L813 HydrophobicContact CD1-CG 4.32Å; Y809-L813 HydrophobicContact CE1-CD1 3.61Å; Y809-L813 HydrophobicContact CE1-CD2 4.35Å; Y809-L813 HydrophobicContact CE1-CG 3.97Å; Y809-L813 WeakPolarHBondContact O-CG 3.44Å; Y809-L813 PolarHBondContact O-N 2.92Å
810	L	92.6	Very high	90	Very high	33 Å²	33	42.6 Å²	42.6	17%	0.173	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-40.3	173.6	-68.9	176.9	0	0	0	112.2	G806 D807 R808 L813 F814 L861 V863 L868	G806-L810 PolarHBondContact O-N 2.96Å; D807-L810 PolarHBondContact O-N 3.34Å; R808-L810 VanDerWaalsContact C-N 3.31Å; R808-L810 PolarHBondContact O-N 3.43Å; L810-L813 PolarHBondContact O-N 2.95Å; L810-F814 WeakPolarHBondContact O-CB 3.44Å; L810-F814 PolarHBondContact O-N 2.82Å; L810-L861 HydrophobicContact CD2-CD1 3.71Å; L810-V863 HydrophobicContact CD2-CG1 4.12Å; L810-L868 HydrophobicContact CB-CD2 4.08Å
811	L	93.9	Very high	90.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69	-33.5	175.8	-60.3	171.3	0	0	0	112.4	L787 I790 D807 R808 Y809 F814 R815 C871 F872 T875	L787-L811 HydrophobicContact CD1-CB 4.43Å; I790-L811 HydrophobicContact CD1-CD1 4.26Å; I790-L811 HydrophobicContact CG2-CD1 4.06Å; D807-L811 WeakPolarHBondContact O-CG 3.26Å; D807-L811 PolarHBondContact O-N 3.31Å; R808-L811 PolarHBondContact O-N 3.39Å; R808-L811 VanDerWaalsContact O-N 3.16Å; Y809-L811 PolarHBondContact O-N 2.99Å; L811-F814 PolarHBondContact O-N 2.82Å; L811-R815 WeakPolarHBondContact O-CB 3.27Å; L811-R815 PolarHBondContact O-N 3.31Å; L811-C871 HydrophobicContact CD2-CB 4.25Å; L811-C871 HydrophobicContact CG-CB 4.33Å; L811-F872 HydrophobicContact CD1-CB 4.38Å; L811-F872 HydrophobicContact CD2-CB 3.76Å; L811-F872 HydrophobicContact CD2-CD2 4.46Å; L811-T875 HydrophobicContact CD1-CG2 4.45Å
812	K	92.8	Very high	90.7	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.035	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-45.7	173	-173.2	170.7	-171.7	159.7	0	111.8	E792 E804 R808 Y809 R815 D816	E792-K812 VanDerWaalsContact CD-CE 3.47Å; E792-K812 VanDerWaalsContact OE1-CE 3.23Å; E792-K812 WeakPolarHBondContact OE1-CE 3.47Å; E792-K812 IonicContact OE1-NZ 2.64Å; E792-K812 VanDerWaalsContact OE2-CE 3.26Å; E792-K812 WeakPolarHBondContact OE2-CE 3.44Å; E792-K812 IonicContact OE2-NZ 3.6Å; E792-K812 PolarHBondContact OE2-NZ 3.13Å; E804-K812 IonicContact OE1-NZ 2.75Å; E804-K812 PolarHBondContact OE1-NZ 3.47Å; E804-K812 IonicContact OE2-NZ 2.77Å; E804-K812 PolarHBondContact OE2-NZ 3.13Å; R808-K812 PolarHBondContact O-N 3.5Å; Y809-K812 WeakPolarHBondContact O-CB 3.38Å; Y809-K812 PolarHBondContact O-N 3.2Å; K812-R815 WeakPolarHBondContact O-CB 3.18Å; K812-R815 PolarHBondContact O-N 3.49Å; K812-D816 PolarHBondContact O-N 2.68Å; K812-D816 VanDerWaalsContact O-N 3.16Å
813	L	93.6	Very high	91	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-69.2	-35.3	174	-62	-171.5	0	0	0	112.4	Y809 L810 R815 D816 H817 L852 L861	Y809-L813 HydrophobicContact CD1-CD1 4.15Å; Y809-L813 HydrophobicContact CD1-CG 4.32Å; Y809-L813 HydrophobicContact CE1-CD1 3.61Å; Y809-L813 HydrophobicContact CE1-CD2 4.35Å; Y809-L813 HydrophobicContact CE1-CG 3.97Å; Y809-L813 WeakPolarHBondContact O-CG 3.44Å; Y809-L813 PolarHBondContact O-N 2.92Å; L810-L813 PolarHBondContact O-N 2.95Å; L813-R815 VanDerWaalsContact C-N 3.33Å; L813-R815 PolarHBondContact O-N 3.32Å; L813-D816 PolarHBondContact O-N 3.38Å; L813-H817 PolarHBondContact O-N 3.45Å; L813-L852 HydrophobicContact CB-CB 4.01Å; L813-L852 HydrophobicContact CB-CD1 4.17Å; L813-L852 HydrophobicContact CD1-CB 4.32Å; L813-L861 HydrophobicContact CD1-CD1 4.14Å
814	F	95.4	Very high	91.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-39	173.1	177.3	-105.4	0	0	0	112	L810 L811 D816 H817 L818 C838 L842 I850 L852 Y865 L868	L810-F814 WeakPolarHBondContact O-CB 3.44Å; L810-F814 PolarHBondContact O-N 2.82Å; L811-F814 PolarHBondContact O-N 2.82Å; F814-D816 VanDerWaalsContact C-N 3.32Å; F814-D816 PolarHBondContact O-N 3.17Å; F814-H817 CarbonylContact O-C 3.59Å; F814-H817 WeakPolarHBondContact O-CB 3.27Å; F814-H817 PolarHBondContact O-N 2.99Å; F814-L818 HydrophobicContact CE1-CD2 4.34Å; F814-L818 HydrophobicContact CZ-CD1 4.39Å; F814-L818 WeakPolarHBondContact O-CB 3.46Å; F814-L818 PolarHBondContact O-N 3.14Å; F814-C838 HydrophobicContact CE2-CB 4.44Å; F814-C838 HydrophobicContact CZ-CB 4.24Å; F814-L842 HydrophobicContact CD1-CD2 4.38Å; F814-L842 HydrophobicContact CE1-CD2 3.71Å; F814-L842 HydrophobicContact CZ-CB 4.32Å; F814-L842 HydrophobicContact CZ-CD2 4.24Å; F814-I850 HydrophobicContact CD2-CD1 3.79Å; F814-I850 HydrophobicContact CE2-CD1 3.99Å; F814-L852 HydrophobicContact CB-CD1 4.27Å; F814-Y865 HydrophobicContact CE2-CD1 4.37Å; F814-Y865 AromaticContact CE2-CE1 3.76Å; F814-Y865 HydrophobicContact CE2-CE1 3.76Å; F814-Y865 HydrophobicContact CZ-CE1 4.2Å; F814-L868 HydrophobicContact CB-CD1 4.36Å; F814-L868 HydrophobicContact CB-CD2 4.19Å; F814-L868 HydrophobicContact CD2-CD1 3.7Å; F814-L868 HydrophobicContact CE2-CD1 4.31Å; F814-L868 HydrophobicContact CG-CD1 4.14Å
815	R	94.5	Very high	91.9	Very high	40 Å²	40	54.2 Å²	54.2	15%	0.151	29%	0.294	C	S	.	.	H	α-helix	trans	-60.3	-42.3	172.3	-173.8	-150.7	73.6	177.5	2.2	111.8	N791 E792 L811 K812 L813 L818 F819 H820	N791-R815 WeakPolarHBondContact ND2-CB 3.44Å; E792-R815 IonicContact OE1-CZ 3.8Å; E792-R815 VanDerWaalsContact OE1-CZ 3.28Å; E792-R815 IonicContact OE1-NH1 3.73Å; E792-R815 PolarHBondContact OE1-NH1 2.85Å; E792-R815 IonicContact OE1-NH2 2.96Å; E792-R815 PolarHBondContact OE1-NH2 3.04Å; E792-R815 VanDerWaalsContact OE1-NH2 3.11Å; L811-R815 WeakPolarHBondContact O-CB 3.27Å; L811-R815 PolarHBondContact O-N 3.31Å; K812-R815 WeakPolarHBondContact O-CB 3.18Å; K812-R815 PolarHBondContact O-N 3.49Å; L813-R815 VanDerWaalsContact C-N 3.33Å; L813-R815 PolarHBondContact O-N 3.32Å; R815-L818 WeakPolarHBondContact O-CB 3.49Å; R815-L818 PolarHBondContact O-N 3.02Å; R815-L818 VanDerWaalsContact O-N 3.13Å; R815-F819 HydrophobicContact CG-CD2 3.86Å; R815-F819 HydrophobicContact CG-CE2 4.33Å; R815-F819 PolarHBondContact O-N 3.3Å; R815-H820 PolarHBondContact NH2-CE1 3.49Å
816	D	93.3	Very high	92.1	Very high	23 Å²	23	53.7 Å²	53.7	12%	0.123	30%	0.301	C	S	.	.	H	α-helix	trans	-67.3	-39	177.8	-66.9	-20.3	0	0	0	110.8	K812 L813 F814 L818 H820 R855	K812-D816 PolarHBondContact O-N 2.68Å; K812-D816 VanDerWaalsContact O-N 3.16Å; L813-D816 PolarHBondContact O-N 3.38Å; F814-D816 VanDerWaalsContact C-N 3.32Å; F814-D816 PolarHBondContact O-N 3.17Å; D816-L818 VanDerWaalsContact C-N 3.27Å; D816-L818 PolarHBondContact O-N 3.4Å; D816-H820 HydrophobicContact CB-CB 4.46Å; D816-H820 CarbonylContact O-C 3.45Å; D816-H820 WeakPolarHBondContact O-CA 3.28Å; D816-H820 WeakPolarHBondContact O-CB 3.38Å; D816-H820 PolarHBondContact O-N 3.18Å; D816-H820 IonicContact OD1-CE1 3.44Å; D816-H820 PolarHBondContact OD1-CE1 3.47Å; D816-H820 IonicContact OD1-CG 3.91Å; D816-H820 IonicContact OD1-ND1 2.75Å; D816-H820 PolarHBondContact OD1-ND1 2.99Å; D816-R855 IonicContact OD1-NH2 3.74Å; D816-R855 IonicContact OD2-CZ 2.75Å; D816-R855 VanDerWaalsContact OD2-CZ 3.28Å; D816-R855 IonicContact OD2-NE 2.68Å; D816-R855 PolarHBondContact OD2-NE 3.28Å; D816-R855 IonicContact OD2-NH2 2.69Å; D816-R855 PolarHBondContact OD2-NH2 3.48Å
817	H	93.2	Very high	92.4	Very high	41 Å²	41	53.4 Å²	53.4	19%	0.19	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-26.6	168.7	-179.6	96.9	0	0	0	113.8	L813 F814 Q821 H834 L852	L813-H817 PolarHBondContact O-N 3.45Å; F814-H817 CarbonylContact O-C 3.59Å; F814-H817 WeakPolarHBondContact O-CB 3.27Å; F814-H817 PolarHBondContact O-N 2.99Å; H817-Q821 WeakPolarHBondContact O-CG 3.37Å; H817-Q821 PolarHBondContact O-NE2 3.08Å; H817-H834 AromaticContact NE2-CE1 3.69Å; H817-H834 PolarHBondContact O-NE2 3.39Å; H817-L852 HydrophobicContact CB-CD2 3.56Å
818	L	93.6	Very high	92.6	Very high	3 Å²	3	56 Å²	56	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-83.6	-42.8	-178.9	-169.9	67.9	0	0	0	112.7	L784 L787 F814 R815 D816 I835 C838 L839	L784-L818 HydrophobicContact CD2-CD2 4.21Å; L787-L818 HydrophobicContact CD2-CD2 4.3Å; F814-L818 HydrophobicContact CE1-CD2 4.34Å; F814-L818 HydrophobicContact CZ-CD1 4.39Å; F814-L818 WeakPolarHBondContact O-CB 3.46Å; F814-L818 PolarHBondContact O-N 3.14Å; R815-L818 WeakPolarHBondContact O-CB 3.49Å; R815-L818 PolarHBondContact O-N 3.02Å; R815-L818 VanDerWaalsContact O-N 3.13Å; D816-L818 VanDerWaalsContact C-N 3.27Å; D816-L818 PolarHBondContact O-N 3.4Å; L818-I835 HydrophobicContact CD1-CB 4.33Å; L818-I835 HydrophobicContact CD1-CG1 4.41Å; L818-I835 HydrophobicContact CD1-CG2 4.21Å; L818-I835 HydrophobicContact CG-CG1 4.48Å; L818-I835 HydrophobicContact CG-CG2 4.38Å; L818-I835 WeakPolarHBondContact O-CG1 3.46Å; L818-C838 HydrophobicContact CD1-CB 3.57Å; L818-L839 HydrophobicContact CD1-CG 4.21Å; L818-L839 HydrophobicContact CD2-CD1 4.44Å; L818-L839 HydrophobicContact CD2-CD2 3.79Å; L818-L839 HydrophobicContact CD2-CG 4.05Å
819	F	94.6	Very high	92.7	Very high	85 Å²	85	59.1 Å²	59.1	37%	0.373	33%	0.325	S	S	.	.	H	α-helix	trans	-119.8	-18.6	-168.5	-62.6	-52.2	0	0	0	115.6	L784 R815 I835	L784-F819 HydrophobicContact CD1-CZ 4.5Å; L784-F819 HydrophobicContact CD2-CE2 4.27Å; L784-F819 HydrophobicContact CD2-CZ 3.63Å; R815-F819 HydrophobicContact CG-CD2 3.86Å; R815-F819 HydrophobicContact CG-CE2 4.33Å; R815-F819 PolarHBondContact O-N 3.3Å; F819-I835 HydrophobicContact CD1-CD1 3.94Å; F819-I835 HydrophobicContact CD1-CG1 4.24Å; F819-I835 HydrophobicContact CE1-CD1 4.1Å; F819-I835 HydrophobicContact CE1-CG1 4.32Å; F819-I835 HydrophobicContact CE1-CG2 4.02Å
820	H	93.9	Very high	92.7	Very high	109 Å²	109	62.9 Å²	62.9	51%	0.505	35%	0.349	S	S	.	.			trans	-113.1	32.1	-173.1	-56.1	142.9	0	0	0	112.1	R815 D816	R815-H820 PolarHBondContact NH2-CE1 3.49Å; D816-H820 HydrophobicContact CB-CB 4.46Å; D816-H820 CarbonylContact O-C 3.45Å; D816-H820 WeakPolarHBondContact O-CA 3.28Å; D816-H820 WeakPolarHBondContact O-CB 3.38Å; D816-H820 PolarHBondContact O-N 3.18Å; D816-H820 IonicContact OD1-CE1 3.44Å; D816-H820 PolarHBondContact OD1-CE1 3.47Å; D816-H820 IonicContact OD1-CG 3.91Å; D816-H820 IonicContact OD1-ND1 2.75Å; D816-H820 PolarHBondContact OD1-ND1 2.99Å
821	Q	91.2	Very high	92.5	Very high	51 Å²	51	63.9 Å²	63.9	24%	0.238	35%	0.354	C	S	.	.			trans	-64.8	148.4	172.6	-70.8	-69.2	-11.9	0	0	111.6	H817 W829	H817-Q821 WeakPolarHBondContact O-CG 3.37Å; H817-Q821 PolarHBondContact O-NE2 3.08Å; Q821-W829 HydrophobicContact CB-CB 4.2Å; Q821-W829 HydrophobicContact CB-CE3 3.74Å; Q821-W829 HydrophobicContact CG-CE3 4.12Å; Q821-W829 HydrophobicContact CG-CZ3 4.48Å; Q821-W829 PolarHBondContact O-N 3.16Å
822	V	92.1	Very high	92.3	Very high	88 Å²	88	67.3 Å²	67.3	53%	0.533	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-133.6	152.1	178.1	-66.5	0	0	0	0	110.5
823	T	92.1	Very high	92.1	Very high	55 Å²	55	69.1 Å²	69.1	34%	0.337	39%	0.386	S	S	.	.			trans	-76.5	166.5	170	58	0	0	0	0	111.3	A825 G826 A827 W829	T823-A825 PolarHBondContact O-N 3.22Å; T823-G826 PolarHBondContact O-N 3.43Å; T823-A827 PolarHBondContact N-O 2.89Å; T823-A827 PolarHBondContact OG1-N 3.16Å; T823-A827 PolarHBondContact OG1-O 3.37Å; T823-W829 HydrophobicContact CG2-CB 4.09Å; T823-W829 HydrophobicContact CG2-CG 4.4Å
824	E	90.3	Very high	92.1	Very high	216 Å²	216	70.6 Å²	70.6	100%	1.009	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-24.7	173.6	-61	177.8	170.3	0	0	113.4	G826	E824-G826 VanDerWaalsContact C-N 3.31Å
825	A	91.9	Very high	92	Very high	93 Å²	93	71.8 Å²	71.8	77%	0.769	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	8.2	175.9	0	0	0	0	0	113.9	T823 A827	T823-A825 PolarHBondContact O-N 3.22Å; A825-A827 PolarHBondContact O-N 3.05Å
826	G	89.6	Confident	91.9	Very high	53 Å²	53	70.6 Å²	70.6	55%	0.546	40%	0.395	S	S	.	.	S	Bend	trans	73	-1.2	-177.3	0	0	0	0	0	115.2	T823 E824	T823-G826 PolarHBondContact O-N 3.43Å; E824-G826 VanDerWaalsContact C-N 3.31Å
827	A	92.6	Very high	91.9	Very high	50 Å²	50	71.9 Å²	71.9	41%	0.413	41%	0.406	S	S	.	.			trans	-75.9	137.8	177	0	0	0	0	0	110.8	T823 A825 W829	T823-A827 PolarHBondContact N-O 2.89Å; T823-A827 PolarHBondContact OG1-N 3.16Å; T823-A827 PolarHBondContact OG1-O 3.37Å; A825-A827 PolarHBondContact O-N 3.05Å; A827-W829 PolarHBondContact O-N 3.23Å
828	P	93.4	Very high	92.1	Very high	106 Å²	106	70.1 Å²	70.1	69%	0.688	40%	0.398	S	S	*	.	B	Isolated β-bridge	trans	-54.9	134.9	179.9	-27.3	35	0	0	0	113.4
829	W	92	Very high	92.2	Very high	108 Å²	108	70.1 Å²	70.1	41%	0.409	40%	0.398	S	S	.	.			trans	-107.4	109.3	177.7	-173.3	71.3	0	0	0	110.2	Q821 T823 A827 D831 H834	Q821-W829 HydrophobicContact CB-CB 4.2Å; Q821-W829 HydrophobicContact CB-CE3 3.74Å; Q821-W829 HydrophobicContact CG-CE3 4.12Å; Q821-W829 HydrophobicContact CG-CZ3 4.48Å; Q821-W829 PolarHBondContact O-N 3.16Å; T823-W829 HydrophobicContact CG2-CB 4.09Å; T823-W829 HydrophobicContact CG2-CG 4.4Å; A827-W829 PolarHBondContact O-N 3.23Å; W829-D831 HydrophobicContact CD2-CB 4.24Å; W829-D831 HydrophobicContact CE3-CB 4.31Å; W829-D831 HydrophobicContact CH2-CB 3.64Å; W829-D831 HydrophobicContact CZ2-CB 3.48Å; W829-D831 VanDerWaalsContact CZ2-CB 3.48Å; W829-D831 HydrophobicContact CZ3-CB 4.05Å; W829-H834 HydrophobicContact CH2-CB 3.68Å; W829-H834 HydrophobicContact CZ3-CB 3.57Å; W829-H834 AromaticContact CZ3-CD2 3.96Å; W829-H834 AromaticContact CZ3-CG 3.6Å
830	I	90.1	Very high	92.2	Very high	155 Å²	155	67.9 Å²	67.9	80%	0.795	39%	0.39	S	S	*	.			trans	-111	97.3	-179.5	-55.3	176.1	0	0	0	108.1
831	D	88.4	Confident	92.3	Very high	53 Å²	53	65.2 Å²	65.2	28%	0.283	38%	0.377	S	S	.	.			trans	-120.1	123.1	170.9	175.3	30.3	0	0	0	110.6	W829 S833 H834 I835	W829-D831 HydrophobicContact CD2-CB 4.24Å; W829-D831 HydrophobicContact CE3-CB 4.31Å; W829-D831 HydrophobicContact CH2-CB 3.64Å; W829-D831 HydrophobicContact CZ2-CB 3.48Å; W829-D831 VanDerWaalsContact CZ2-CB 3.48Å; W829-D831 HydrophobicContact CZ3-CB 4.05Å; D831-S833 VanDerWaalsContact C-N 3.32Å; D831-S833 WeakPolarHBondContact OD1-CB 3.44Å; D831-S833 PolarHBondContact OD1-N 3.35Å; D831-S833 WeakPolarHBondContact OD2-CB 3.42Å; D831-H834 HydrophobicContact CB-CB 4.22Å; D831-H834 PolarHBondContact OD2-N 3.22Å; D831-I835 WeakPolarHBondContact O-CG1 3.42Å; D831-I835 PolarHBondContact O-N 2.88Å
832	L	89.1	Confident	92.6	Very high	72 Å²	72	62.9 Å²	62.9	38%	0.377	37%	0.366	S	S	.	.	H	α-helix	trans	-72.6	-27.4	176.6	-174.8	63.4	0	0	0	112	F443 F444 I835 I836	F443-L832 HydrophobicContact CD2-CD2 4.29Å; F443-L832 HydrophobicContact CD2-CG 4.45Å; F444-L832 HydrophobicContact CE2-CD2 3.54Å; F444-L832 HydrophobicContact CZ-CD2 3.78Å; L832-I835 HydrophobicContact CD1-CB 4.46Å; L832-I835 PolarHBondContact O-N 3.33Å; L832-I836 HydrophobicContact CD1-CD1 3.97Å; L832-I836 HydrophobicContact CD1-CG1 4.03Å; L832-I836 HydrophobicContact CD2-CD1 4.1Å; L832-I836 HydrophobicContact CG-CD1 3.69Å; L832-I836 HydrophobicContact CG-CG1 4.13Å; L832-I836 WeakPolarHBondContact O-CB 3.4Å; L832-I836 WeakPolarHBondContact O-CG1 3.38Å; L832-I836 PolarHBondContact O-N 3.16Å
833	S	89.9	Confident	92.7	Very high	47 Å²	47	61 Å²	61	33%	0.329	35%	0.353	S	S	.	.	H	α-helix	trans	-64.4	-45.6	177	-174.2	0	0	0	0	111	D831 S837	D831-S833 VanDerWaalsContact C-N 3.32Å; D831-S833 WeakPolarHBondContact OD1-CB 3.44Å; D831-S833 PolarHBondContact OD1-N 3.35Å; D831-S833 WeakPolarHBondContact OD2-CB 3.42Å; S833-S837 WeakPolarHBondContact O-CB 3.27Å; S833-S837 PolarHBondContact O-N 3.42Å
834	H	92.6	Very high	92.9	Very high	34 Å²	34	61.5 Å²	61.5	16%	0.157	36%	0.363	C	S	.	.	H	α-helix	trans	-53.3	-52.5	168.4	177.3	68.4	0	0	0	112.9	H817 W829 D831 I836 S837 C838	H817-H834 AromaticContact NE2-CE1 3.69Å; H817-H834 PolarHBondContact O-NE2 3.39Å; W829-H834 HydrophobicContact CH2-CB 3.68Å; W829-H834 HydrophobicContact CZ3-CB 3.57Å; W829-H834 AromaticContact CZ3-CD2 3.96Å; W829-H834 AromaticContact CZ3-CG 3.6Å; D831-H834 HydrophobicContact CB-CB 4.22Å; D831-H834 PolarHBondContact OD2-N 3.22Å; H834-I836 PolarHBondContact O-N 3.48Å; H834-S837 PolarHBondContact O-N 2.9Å; H834-C838 PolarHBondContact CE1-SG 2.9Å; H834-C838 WeakPolarHBondContact O-CB 3.36Å; H834-C838 PolarHBondContact O-N 3.12Å; H834-C838 PolarHBondContact O-SG 3.45Å
835	I	93.9	Very high	93.1	Very high	25 Å²	25	52 Å²	52	13%	0.128	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-49.4	-178	-67.5	164.9	0	0	0	111.1	L818 F819 D831 L832 C838 L839	L818-I835 HydrophobicContact CD1-CB 4.33Å; L818-I835 HydrophobicContact CD1-CG1 4.41Å; L818-I835 HydrophobicContact CD1-CG2 4.21Å; L818-I835 HydrophobicContact CG-CG1 4.48Å; L818-I835 HydrophobicContact CG-CG2 4.38Å; L818-I835 WeakPolarHBondContact O-CG1 3.46Å; F819-I835 HydrophobicContact CD1-CD1 3.94Å; F819-I835 HydrophobicContact CD1-CG1 4.24Å; F819-I835 HydrophobicContact CE1-CD1 4.1Å; F819-I835 HydrophobicContact CE1-CG1 4.32Å; F819-I835 HydrophobicContact CE1-CG2 4.02Å; D831-I835 WeakPolarHBondContact O-CG1 3.42Å; D831-I835 PolarHBondContact O-N 2.88Å; L832-I835 HydrophobicContact CD1-CB 4.46Å; L832-I835 PolarHBondContact O-N 3.33Å; I835-C838 PolarHBondContact O-N 3.42Å; I835-L839 HydrophobicContact CG2-CD1 3.81Å; I835-L839 WeakPolarHBondContact O-CB 3.4Å; I835-L839 VanDerWaalsContact O-CG 3.28Å; I835-L839 WeakPolarHBondContact O-CG 3.38Å; I835-L839 PolarHBondContact O-N 3.49Å
836	I	93.3	Very high	93.3	Very high	15 Å²	15	49.8 Å²	49.8	8%	0.077	30%	0.3	C	S	.	.	H	α-helix	trans	-67.2	-38.6	-179	-70.1	179.3	0	0	0	111.2	F443 L780 L832 H834 N840	F443-I836 HydrophobicContact CB-CD1 3.59Å; F443-I836 HydrophobicContact CD1-CD1 3.74Å; F443-I836 HydrophobicContact CD1-CG2 4.01Å; F443-I836 HydrophobicContact CD2-CD1 3.88Å; F443-I836 HydrophobicContact CE1-CB 4.46Å; F443-I836 HydrophobicContact CE1-CD1 4.37Å; F443-I836 HydrophobicContact CE1-CG2 4.09Å; F443-I836 HydrophobicContact CE2-CD1 4.47Å; F443-I836 HydrophobicContact CG-CD1 3.46Å; F443-I836 VanDerWaalsContact CG-CD1 3.46Å; L780-I836 HydrophobicContact CD1-CG1 4.21Å; L780-I836 HydrophobicContact CD1-CG2 4.05Å; L832-I836 HydrophobicContact CD1-CD1 3.97Å; L832-I836 HydrophobicContact CD1-CG1 4.03Å; L832-I836 HydrophobicContact CD2-CD1 4.1Å; L832-I836 HydrophobicContact CG-CD1 3.69Å; L832-I836 HydrophobicContact CG-CG1 4.13Å; L832-I836 WeakPolarHBondContact O-CB 3.4Å; L832-I836 WeakPolarHBondContact O-CG1 3.38Å; L832-I836 PolarHBondContact O-N 3.16Å; H834-I836 PolarHBondContact O-N 3.48Å; I836-N840 WeakPolarHBondContact CG2-ND2 3.41Å; I836-N840 VanDerWaalsContact O-CB 3.32Å; I836-N840 WeakPolarHBondContact O-CB 3.47Å; I836-N840 PolarHBondContact O-N 3.31Å; I836-N840 PolarHBondContact O-ND2 3.28Å
837	S	93.2	Very high	93.6	Very high	50 Å²	50	52.2 Å²	52.2	35%	0.35	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-51	175.7	-175.3	0	0	0	0	111.5	S833 H834 L839 N840 K841	S833-S837 WeakPolarHBondContact O-CB 3.27Å; S833-S837 PolarHBondContact O-N 3.42Å; H834-S837 PolarHBondContact O-N 2.9Å; S837-L839 PolarHBondContact O-N 3.37Å; S837-N840 PolarHBondContact O-N 2.99Å; S837-K841 VanDerWaalsContact O-CG 3.31Å; S837-K841 WeakPolarHBondContact O-CG 3.37Å; S837-K841 PolarHBondContact O-N 2.82Å
838	C	95.7	Very high	93.8	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.027	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-40.7	-178.9	-65.7	0	0	0	0	112.6	F814 L818 H834 I835 K841 L842 Y865	F814-C838 HydrophobicContact CE2-CB 4.44Å; F814-C838 HydrophobicContact CZ-CB 4.24Å; L818-C838 HydrophobicContact CD1-CB 3.57Å; H834-C838 PolarHBondContact CE1-SG 2.9Å; H834-C838 WeakPolarHBondContact O-CB 3.36Å; H834-C838 PolarHBondContact O-N 3.12Å; H834-C838 PolarHBondContact O-SG 3.45Å; I835-C838 PolarHBondContact O-N 3.42Å; C838-K841 PolarHBondContact O-N 3.37Å; C838-L842 WeakPolarHBondContact O-CB 3.4Å; C838-L842 PolarHBondContact O-N 3.09Å; C838-Y865 HydrophobicContact CB-CE1 4.31Å; C838-Y865 VanDerWaalsContact O-CE1 3.29Å; C838-Y865 WeakPolarHBondContact O-CE1 3.44Å; C838-Y865 PolarHBondContact SG-OH 2.99Å; C838-Y865 VanDerWaalsContact SG-OH 3.34Å
839	L	96.3	Very high	93.9	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-67.9	-38.8	176.1	-71.5	169.2	0	0	0	112.6	L780 L784 L818 I835 S837 L842 D843	L780-L839 HydrophobicContact CD2-CB 3.42Å; L780-L839 VanDerWaalsContact CD2-CB 3.42Å; L780-L839 HydrophobicContact CD2-CD1 4.15Å; L780-L839 HydrophobicContact CD2-CG 4.44Å; L784-L839 HydrophobicContact CD1-CD1 4.09Å; L784-L839 HydrophobicContact CD2-CD1 3.76Å; L784-L839 HydrophobicContact CD2-CD2 3.79Å; L784-L839 HydrophobicContact CD2-CG 4.4Å; L784-L839 HydrophobicContact CG-CD1 3.91Å; L784-L839 HydrophobicContact CG-CD2 4.46Å; L818-L839 HydrophobicContact CD1-CG 4.21Å; L818-L839 HydrophobicContact CD2-CD1 4.44Å; L818-L839 HydrophobicContact CD2-CD2 3.79Å; L818-L839 HydrophobicContact CD2-CG 4.05Å; I835-L839 HydrophobicContact CG2-CD1 3.81Å; I835-L839 WeakPolarHBondContact O-CB 3.4Å; I835-L839 VanDerWaalsContact O-CG 3.28Å; I835-L839 WeakPolarHBondContact O-CG 3.38Å; I835-L839 PolarHBondContact O-N 3.49Å; S837-L839 PolarHBondContact O-N 3.37Å; L839-L842 PolarHBondContact O-N 3.35Å; L839-D843 PolarHBondContact O-N 3.34Å; L839-D843 VanDerWaalsContact O-N 3.07Å
840	N	94.9	Very high	94.1	Very high	39 Å²	39	51.1 Å²	51.1	21%	0.209	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-41.6	173.8	-88.3	-61.7	0	0	0	111.8	R779 I836 S837 A844	R779-N840 PolarHBondContact NH1-OD1 3.27Å; I836-N840 WeakPolarHBondContact CG2-ND2 3.41Å; I836-N840 VanDerWaalsContact O-CB 3.32Å; I836-N840 WeakPolarHBondContact O-CB 3.47Å; I836-N840 PolarHBondContact O-N 3.31Å; I836-N840 PolarHBondContact O-ND2 3.28Å; S837-N840 PolarHBondContact O-N 2.99Å; N840-A844 VanDerWaalsContact O-CB 3.24Å; N840-A844 WeakPolarHBondContact O-CB 3.39Å; N840-A844 PolarHBondContact O-N 3.31Å
841	K	96.4	Very high	94.3	Very high	53 Å²	53	46.8 Å²	46.8	23%	0.23	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-40.2	176.2	-69.8	174.1	-176.2	-167.4	0	112.6	S837 C838 G845 V846 E848 Y865	S837-K841 VanDerWaalsContact O-CG 3.31Å; S837-K841 WeakPolarHBondContact O-CG 3.37Å; S837-K841 PolarHBondContact O-N 2.82Å; C838-K841 PolarHBondContact O-N 3.37Å; K841-G845 PolarHBondContact O-N 2.88Å; K841-V846 HydrophobicContact CB-CG2 4.18Å; K841-V846 HydrophobicContact CG-CG2 4.3Å; K841-V846 PolarHBondContact O-N 2.98Å; K841-E848 WeakPolarHBondContact CD-OE2 3.45Å; K841-E848 WeakPolarHBondContact CE-OE2 3.32Å; K841-E848 IonicContact NZ-OE1 3.11Å; K841-E848 PolarHBondContact NZ-OE1 2.77Å; K841-E848 IonicContact NZ-OE2 3.28Å; K841-E848 PolarHBondContact NZ-OE2 2.69Å; K841-Y865 HydrophobicContact CB-CD1 3.71Å; K841-Y865 HydrophobicContact CB-CD2 3.8Å; K841-Y865 HydrophobicContact CB-CE1 3.69Å; K841-Y865 HydrophobicContact CB-CE2 3.8Å; K841-Y865 HydrophobicContact CB-CG 3.74Å; K841-Y865 HydrophobicContact CD-CD2 4.28Å; K841-Y865 HydrophobicContact CD-CE2 3.62Å; K841-Y865 HydrophobicContact CG-CE2 4.33Å; K841-Y865 WeakPolarHBondContact O-CB 3.26Å
842	L	96.3	Very high	94.6	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-59.5	-53.5	174.8	177.5	66.5	0	0	0	111.5	F814 C838 L839 G845 Y865 L868 K869	F814-L842 HydrophobicContact CD1-CD2 4.38Å; F814-L842 HydrophobicContact CE1-CD2 3.71Å; F814-L842 HydrophobicContact CZ-CB 4.32Å; F814-L842 HydrophobicContact CZ-CD2 4.24Å; C838-L842 WeakPolarHBondContact O-CB 3.4Å; C838-L842 PolarHBondContact O-N 3.09Å; L839-L842 PolarHBondContact O-N 3.35Å; L842-G845 PolarHBondContact O-N 2.89Å; L842-Y865 HydrophobicContact CB-CD1 4.03Å; L842-L868 HydrophobicContact CD1-CB 3.64Å; L842-K869 HydrophobicContact CD1-CB 4.36Å; L842-K869 WeakPolarHBondContact O-CB 3.48Å
843	D	95.3	Very high	94.7	Very high	47 Å²	47	45.6 Å²	45.6	25%	0.251	26%	0.262	S	S	.	.	H	α-helix	trans	-70.9	-33	-176.3	176.4	99.7	0	0	0	112.9	R779 L783 L839 G845 K869	R779-D843 IonicContact CZ-OD2 2.76Å; R779-D843 IonicContact NE-OD1 2.77Å; R779-D843 IonicContact NE-OD2 2.88Å; R779-D843 PolarHBondContact NE-OD2 3.19Å; R779-D843 IonicContact NH2-OD2 3.27Å; R779-D843 PolarHBondContact NH2-OD2 2.9Å; L783-D843 HydrophobicContact CD1-CB 3.49Å; L783-D843 VanDerWaalsContact CD1-CB 3.49Å; L783-D843 HydrophobicContact CD2-CB 3.98Å; L783-D843 HydrophobicContact CG-CB 4.36Å; L839-D843 PolarHBondContact O-N 3.34Å; L839-D843 VanDerWaalsContact O-N 3.07Å; D843-G845 PolarHBondContact O-N 3.32Å; D843-K869 WeakPolarHBondContact O-CE 3.49Å; D843-K869 PolarHBondContact O-NZ 2.86Å
844	A	95.5	Very high	94.7	Very high	67 Å²	67	43.6 Å²	43.6	55%	0.554	25%	0.248	S	C	*	.	H	α-helix	trans	-66.8	-26	168.4	0	0	0	0	0	112.8	N840 V846	N840-A844 VanDerWaalsContact O-CB 3.24Å; N840-A844 WeakPolarHBondContact O-CB 3.39Å; N840-A844 PolarHBondContact O-N 3.31Å; A844-V846 HydrophobicContact CB-CG2 3.86Å
845	G	95.2	Very high	94.5	Very high	16 Å²	16	48.6 Å²	48.6	17%	0.165	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	43.5	-177.2	0	0	0	0	0	112.7	K841 L842 D843 S866	K841-G845 PolarHBondContact O-N 2.88Å; L842-G845 PolarHBondContact O-N 2.89Å; D843-G845 PolarHBondContact O-N 3.32Å; G845-S866 WeakPolarHBondContact O-CB 3.26Å
846	V	96.4	Very high	94.2	Very high	47 Å²	47	51.2 Å²	51.2	29%	0.285	28%	0.28	S	S	.	.			trans	-65.7	140.7	-173.6	-172.4	0	0	0	0	111.1	K841 A844 E848 Y865 S866	K841-V846 HydrophobicContact CB-CG2 4.18Å; K841-V846 HydrophobicContact CG-CG2 4.3Å; K841-V846 PolarHBondContact O-N 2.98Å; A844-V846 HydrophobicContact CB-CG2 3.86Å; V846-E848 HydrophobicContact CB-CB 4.38Å; V846-E848 HydrophobicContact CG1-CB 3.8Å; V846-E848 PolarHBondContact O-N 2.89Å; V846-Y865 WeakPolarHBondContact O-CB 3.23Å; V846-Y865 PolarHBondContact O-N 3.26Å; V846-S866 PolarHBondContact O-N 3.46Å; V846-S866 VanDerWaalsContact O-N 3.13Å
847	P	95.8	Very high	93.8	Very high	104 Å²	104	58.5 Å²	58.5	68%	0.675	31%	0.314	S	S	*	.			trans	-71.2	12.7	173.7	30.4	-37.2	0	0	0	114.4
848	E	96.2	Very high	93.7	Very high	72 Å²	72	64 Å²	64	34%	0.336	33%	0.331	S	S	.	.			trans	-68.1	135.3	173	-179.2	-174	133.5	0	0	109.7	K841 V846 T864 Y865	K841-E848 WeakPolarHBondContact CD-OE2 3.45Å; K841-E848 WeakPolarHBondContact CE-OE2 3.32Å; K841-E848 IonicContact NZ-OE1 3.11Å; K841-E848 PolarHBondContact NZ-OE1 2.77Å; K841-E848 IonicContact NZ-OE2 3.28Å; K841-E848 PolarHBondContact NZ-OE2 2.69Å; V846-E848 HydrophobicContact CB-CB 4.38Å; V846-E848 HydrophobicContact CG1-CB 3.8Å; V846-E848 PolarHBondContact O-N 2.89Å; E848-T864 VanDerWaalsContact O-CA 3.26Å; E848-T864 WeakPolarHBondContact O-CA 3.38Å; E848-Y865 HydrophobicContact CB-CD2 4.09Å; E848-Y865 HydrophobicContact CB-CE2 4.42Å; E848-Y865 HydrophobicContact CG-CD2 4.46Å; E848-Y865 HydrophobicContact CG-CE2 4.32Å; E848-Y865 PolarHBondContact O-N 3.42Å; E848-Y865 VanDerWaalsContact O-N 3.11Å
849	K	96.1	Very high	93.4	Very high	153 Å²	153	66.6 Å²	66.6	67%	0.665	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.2	179.8	-68.6	178.4	179.5	-177.7	0	111.3	V862 V863 T864	K849-V862 HydrophobicContact CB-CG1 4.02Å; K849-V862 HydrophobicContact CD-CG1 4.12Å; K849-V862 HydrophobicContact CG-CG1 4.4Å; K849-V863 CarbonylContact C-O 3.56Å; K849-V863 WeakPolarHBondContact CA-O 3.36Å; K849-T864 HydrophobicContact CG-CG2 3.8Å
850	I	96.1	Very high	93.2	Very high	15 Å²	15	70.6 Å²	70.6	8%	0.077	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152.9	170.1	62.9	174	0	0	0	111.1	F814 L852 V862 V863 Y865 L868	F814-I850 HydrophobicContact CD2-CD1 3.79Å; F814-I850 HydrophobicContact CE2-CD1 3.99Å; I850-L852 HydrophobicContact CD1-CD2 3.88Å; I850-L852 HydrophobicContact CD1-CG 4.46Å; I850-L852 HydrophobicContact CG1-CD2 4.32Å; I850-L852 HydrophobicContact CG1-CG 4.47Å; I850-V862 WeakPolarHBondContact O-CA 3.45Å; I850-V863 HydrophobicContact CG1-CG2 4.18Å; I850-V863 PolarHBondContact N-O 3.11Å; I850-V863 PolarHBondContact O-N 2.67Å; I850-Y865 HydrophobicContact CD1-CE1 4.24Å; I850-Y865 HydrophobicContact CG2-CD2 4.3Å; I850-Y865 HydrophobicContact CG2-CE2 3.44Å; I850-Y865 VanDerWaalsContact CG2-CE2 3.44Å; I850-L868 HydrophobicContact CD1-CD1 3.77Å; I850-L868 HydrophobicContact CG1-CD1 4.28Å
851	S	94.7	Very high	93.1	Very high	65 Å²	65	72 Å²	72	46%	0.455	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.1	173.9	-61	0	0	0	0	109.9
852	L	94.4	Very high	93	Very high	1 Å²	1	73.8 Å²	73.8	1%	0.005	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.1	172.9	-60.4	-177	0	0	0	108.7	L813 F814 H817 I850 V860 L861 V863 L868	L813-L852 HydrophobicContact CB-CB 4.01Å; L813-L852 HydrophobicContact CB-CD1 4.17Å; L813-L852 HydrophobicContact CD1-CB 4.32Å; F814-L852 HydrophobicContact CB-CD1 4.27Å; H817-L852 HydrophobicContact CB-CD2 3.56Å; I850-L852 HydrophobicContact CD1-CD2 3.88Å; I850-L852 HydrophobicContact CD1-CG 4.46Å; I850-L852 HydrophobicContact CG1-CD2 4.32Å; I850-L852 HydrophobicContact CG1-CG 4.47Å; L852-V860 WeakPolarHBondContact O-CA 3.37Å; L852-L861 PolarHBondContact N-O 2.64Å; L852-L861 PolarHBondContact O-N 2.86Å; L852-V863 HydrophobicContact CD1-CG2 3.67Å; L852-V863 HydrophobicContact CG-CG2 4.05Å; L852-L868 HydrophobicContact CD1-CD1 4.45Å; L852-L868 HydrophobicContact CD1-CD2 4.14Å
853	I	91.3	Very high	93	Very high	98 Å²	98	74.5 Å²	74.5	50%	0.503	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136.9	-176.5	-50.7	-179.3	0	0	0	108.6	S859 V860	I853-S859 WeakPolarHBondContact CA-O 3.48Å; I853-V860 HydrophobicContact CG1-CG1 4.46Å; I853-V860 HydrophobicContact CG1-CG2 4.28Å; I853-V860 HydrophobicContact CG2-CG2 4.48Å
854	S	90.3	Very high	93.1	Very high	5 Å²	5	73.1 Å²	73.1	4%	0.035	39%	0.394	C	S	.	.			trans	-67.2	150.6	174.1	59.7	0	0	0	0	111.4	D856 E857 S859	S854-D856 VanDerWaalsContact CB-OD1 3.28Å; S854-D856 WeakPolarHBondContact CB-OD1 3.32Å; S854-D856 PolarHBondContact O-N 3.14Å; S854-D856 PolarHBondContact OG-OD1 3.16Å; S854-E857 WeakPolarHBondContact O-CA 3.14Å; S854-E857 PolarHBondContact O-N 3.03Å; S854-S859 PolarHBondContact N-O 2.92Å; S854-S859 WeakPolarHBondContact OG-CB 3.34Å; S854-S859 PolarHBondContact OG-N 2.79Å; S854-S859 PolarHBondContact OG-O 3.39Å
855	R	86.5	Confident	93.2	Very high	140 Å²	140	70 Å²	70	53%	0.528	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.1	-178.8	-66	-172.5	-174.3	163.7	6.2	115.1	E792 D816	E792-R855 IonicContact OE1-CZ 3.28Å; E792-R855 IonicContact OE1-NH1 3.62Å; E792-R855 IonicContact OE1-NH2 2.91Å; E792-R855 PolarHBondContact OE1-NH2 3.45Å; D816-R855 IonicContact OD1-NH2 3.74Å; D816-R855 IonicContact OD2-CZ 2.75Å; D816-R855 VanDerWaalsContact OD2-CZ 3.28Å; D816-R855 IonicContact OD2-NE 2.68Å; D816-R855 PolarHBondContact OD2-NE 3.28Å; D816-R855 IonicContact OD2-NH2 2.69Å; D816-R855 PolarHBondContact OD2-NH2 3.48Å
856	D	88.3	Confident	93.3	Very high	79 Å²	79	71.4 Å²	71.4	42%	0.422	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	6.3	173.9	77	-33	0	0	0	113	S854 K858	S854-D856 VanDerWaalsContact CB-OD1 3.28Å; S854-D856 WeakPolarHBondContact CB-OD1 3.32Å; S854-D856 PolarHBondContact O-N 3.14Å; S854-D856 PolarHBondContact OG-OD1 3.16Å; D856-K858 WeakPolarHBondContact O-CG 3.39Å; D856-K858 PolarHBondContact O-N 2.65Å; D856-K858 PolarHBondContact OD1-N 2.76Å; D856-K858 WeakPolarHBondContact OD2-CD 3.49Å; D856-K858 VanDerWaalsContact OD2-CG 3.31Å; D856-K858 WeakPolarHBondContact OD2-CG 3.22Å; D856-K858 IonicContact OD2-NZ 2.64Å; D856-K858 PolarHBondContact OD2-NZ 3.33Å
857	E	85.9	Confident	93.3	Very high	169 Å²	169	71.4 Å²	71.4	79%	0.79	37%	0.373	S	S	*	.	S	Bend	trans	60.3	5	178.7	-58.8	-179.2	173.9	0	0	115.9	S854	S854-E857 WeakPolarHBondContact O-CA 3.14Å; S854-E857 PolarHBondContact O-N 3.03Å
858	K	89.8	Confident	93.3	Very high	164 Å²	164	66.5 Å²	66.5	71%	0.713	34%	0.342	S	S	*	.	S	Bend	trans	-83.5	-20.7	-177.1	-57	-166	-159.8	79.5	0	114.6	D856	D856-K858 WeakPolarHBondContact O-CG 3.39Å; D856-K858 PolarHBondContact O-N 2.65Å; D856-K858 PolarHBondContact OD1-N 2.76Å; D856-K858 WeakPolarHBondContact OD2-CD 3.49Å; D856-K858 VanDerWaalsContact OD2-CG 3.31Å; D856-K858 WeakPolarHBondContact OD2-CG 3.22Å; D856-K858 IonicContact OD2-NZ 2.64Å; D856-K858 PolarHBondContact OD2-NZ 3.33Å
859	S	89.3	Confident	93.3	Very high	60 Å²	60	65.6 Å²	65.6	42%	0.42	34%	0.337	S	S	.	.			trans	-126.1	135.3	-174.2	-54.6	0	0	0	0	111.6	I853 S854	I853-S859 WeakPolarHBondContact CA-O 3.48Å; S854-S859 PolarHBondContact N-O 2.92Å; S854-S859 WeakPolarHBondContact OG-CB 3.34Å; S854-S859 PolarHBondContact OG-N 2.79Å; S854-S859 PolarHBondContact OG-O 3.39Å
860	V	92.8	Very high	93.3	Very high	86 Å²	86	64.4 Å²	64.4	52%	0.521	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.3	172.5	-174	0	0	0	0	108.8	L852 I853	L852-V860 WeakPolarHBondContact O-CA 3.37Å; I853-V860 HydrophobicContact CG1-CG1 4.46Å; I853-V860 HydrophobicContact CG1-CG2 4.28Å; I853-V860 HydrophobicContact CG2-CG2 4.48Å
861	L	92.8	Very high	93.3	Very high	68 Å²	68	63.8 Å²	63.8	36%	0.356	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121	179.1	-59.6	178.2	0	0	0	109	L810 L813 L852	L810-L861 HydrophobicContact CD2-CD1 3.71Å; L813-L861 HydrophobicContact CD1-CD1 4.14Å; L852-L861 PolarHBondContact N-O 2.64Å; L852-L861 PolarHBondContact O-N 2.86Å
862	V	95.1	Very high	93.4	Very high	92 Å²	92	61 Å²	61	56%	0.558	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.3	177.4	-178	0	0	0	0	109	K849 I850	K849-V862 HydrophobicContact CB-CG1 4.02Å; K849-V862 HydrophobicContact CD-CG1 4.12Å; K849-V862 HydrophobicContact CG-CG1 4.4Å; I850-V862 WeakPolarHBondContact O-CA 3.45Å
863	V	95.6	Very high	93.4	Very high	17 Å²	17	64.7 Å²	64.7	10%	0.103	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	154.4	-173.9	-65.3	0	0	0	0	111.1	L810 K849 I850 L852 L868	L810-V863 HydrophobicContact CD2-CG1 4.12Å; K849-V863 CarbonylContact C-O 3.56Å; K849-V863 WeakPolarHBondContact CA-O 3.36Å; I850-V863 HydrophobicContact CG1-CG2 4.18Å; I850-V863 PolarHBondContact N-O 3.11Å; I850-V863 PolarHBondContact O-N 2.67Å; L852-V863 HydrophobicContact CD1-CG2 3.67Å; L852-V863 HydrophobicContact CG-CG2 4.05Å; V863-L868 HydrophobicContact CG2-CD1 3.79Å; V863-L868 HydrophobicContact CG2-CD2 4.11Å; V863-L868 HydrophobicContact CG2-CG 3.85Å
864	T	96.9	Very high	93.6	Very high	17 Å²	17	63.6 Å²	63.6	10%	0.104	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	157.2	171.3	67.3	0	0	0	0	111.9	E848 K849 S866 D867 L868	E848-T864 VanDerWaalsContact O-CA 3.26Å; E848-T864 WeakPolarHBondContact O-CA 3.38Å; K849-T864 HydrophobicContact CG-CG2 3.8Å; T864-S866 VanDerWaalsContact CB-OG 3.31Å; T864-S866 WeakPolarHBondContact CB-OG 3.47Å; T864-S866 PolarHBondContact O-N 2.75Å; T864-S866 PolarHBondContact OG1-N 2.95Å; T864-S866 PolarHBondContact OG1-OG 2.87Å; T864-D867 WeakPolarHBondContact CB-OD2 3.48Å; T864-D867 PolarHBondContact N-OD2 3.48Å; T864-D867 PolarHBondContact O-N 2.89Å; T864-D867 VanDerWaalsContact O-N 3.13Å; T864-D867 PolarHBondContact OG1-N 3.21Å; T864-D867 PolarHBondContact OG1-OD2 2.96Å; T864-L868 PolarHBondContact O-N 3.45Å
865	Y	97.4	Very high	93.8	Very high	3 Å²	3	63.3 Å²	63.3	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-29.8	168.2	-72.1	-87.5	0	0	0	112.1	F814 C838 K841 L842 V846 E848 I850 L868 K869	F814-Y865 HydrophobicContact CE2-CD1 4.37Å; F814-Y865 AromaticContact CE2-CE1 3.76Å; F814-Y865 HydrophobicContact CE2-CE1 3.76Å; F814-Y865 HydrophobicContact CZ-CE1 4.2Å; C838-Y865 HydrophobicContact CB-CE1 4.31Å; C838-Y865 VanDerWaalsContact O-CE1 3.29Å; C838-Y865 WeakPolarHBondContact O-CE1 3.44Å; C838-Y865 PolarHBondContact SG-OH 2.99Å; C838-Y865 VanDerWaalsContact SG-OH 3.34Å; K841-Y865 HydrophobicContact CB-CD1 3.71Å; K841-Y865 HydrophobicContact CB-CD2 3.8Å; K841-Y865 HydrophobicContact CB-CE1 3.69Å; K841-Y865 HydrophobicContact CB-CE2 3.8Å; K841-Y865 HydrophobicContact CB-CG 3.74Å; K841-Y865 HydrophobicContact CD-CD2 4.28Å; K841-Y865 HydrophobicContact CD-CE2 3.62Å; K841-Y865 HydrophobicContact CG-CE2 4.33Å; K841-Y865 WeakPolarHBondContact O-CB 3.26Å; L842-Y865 HydrophobicContact CB-CD1 4.03Å; V846-Y865 WeakPolarHBondContact O-CB 3.23Å; V846-Y865 PolarHBondContact O-N 3.26Å; E848-Y865 HydrophobicContact CB-CD2 4.09Å; E848-Y865 HydrophobicContact CB-CE2 4.42Å; E848-Y865 HydrophobicContact CG-CD2 4.46Å; E848-Y865 HydrophobicContact CG-CE2 4.32Å; E848-Y865 PolarHBondContact O-N 3.42Å; E848-Y865 VanDerWaalsContact O-N 3.11Å; I850-Y865 HydrophobicContact CD1-CE1 4.24Å; I850-Y865 HydrophobicContact CG2-CD2 4.3Å; I850-Y865 HydrophobicContact CG2-CE2 3.44Å; I850-Y865 VanDerWaalsContact CG2-CE2 3.44Å; Y865-L868 PolarHBondContact O-N 3.16Å; Y865-K869 WeakPolarHBondContact O-CB 3.42Å; Y865-K869 PolarHBondContact O-N 3.38Å
866	S	97.1	Very high	94.1	Very high	44 Å²	44	58.7 Å²	58.7	31%	0.308	30%	0.299	S	S	.	.	H	α-helix	trans	-59.7	-41.8	168.6	27.3	0	0	0	0	113.6	G845 V846 T864 R870	G845-S866 WeakPolarHBondContact O-CB 3.26Å; V846-S866 PolarHBondContact O-N 3.46Å; V846-S866 VanDerWaalsContact O-N 3.13Å; T864-S866 VanDerWaalsContact CB-OG 3.31Å; T864-S866 WeakPolarHBondContact CB-OG 3.47Å; T864-S866 PolarHBondContact O-N 2.75Å; T864-S866 PolarHBondContact OG1-N 2.95Å; T864-S866 PolarHBondContact OG1-OG 2.87Å; S866-R870 PolarHBondContact O-N 3.29Å; S866-R870 VanDerWaalsContact O-N 3.16Å
867	D	96.2	Very high	94.4	Very high	48 Å²	48	60.9 Å²	60.9	26%	0.257	31%	0.306	S	S	.	.	H	α-helix	trans	-67.8	-44.6	176	-67.5	-60.4	0	0	0	111.3	T864 K869 R870 C871	T864-D867 WeakPolarHBondContact CB-OD2 3.48Å; T864-D867 PolarHBondContact N-OD2 3.48Å; T864-D867 PolarHBondContact O-N 2.89Å; T864-D867 VanDerWaalsContact O-N 3.13Å; T864-D867 PolarHBondContact OG1-N 3.21Å; T864-D867 PolarHBondContact OG1-OD2 2.96Å; D867-K869 VanDerWaalsContact C-N 3.31Å; D867-K869 PolarHBondContact O-N 3.47Å; D867-R870 WeakPolarHBondContact O-CB 3.36Å; D867-R870 PolarHBondContact O-N 2.84Å; D867-R870 IonicContact OD1-CZ 2.82Å; D867-R870 VanDerWaalsContact OD1-CZ 3.27Å; D867-R870 IonicContact OD1-NH1 3.59Å; D867-R870 PolarHBondContact OD1-NH1 2.81Å; D867-R870 IonicContact OD1-NH2 3.32Å; D867-R870 PolarHBondContact OD1-NH2 2.9Å; D867-C871 PolarHBondContact O-N 3.39Å; D867-C871 PolarHBondContact O-SG 3.05Å
868	L	96.5	Very high	94.6	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-37.7	176.9	-71.9	170	0	0	0	112.2	L810 F814 L842 I850 L852 V863 T864 Y865 C871 F872	L810-L868 HydrophobicContact CB-CD2 4.08Å; F814-L868 HydrophobicContact CB-CD1 4.36Å; F814-L868 HydrophobicContact CB-CD2 4.19Å; F814-L868 HydrophobicContact CD2-CD1 3.7Å; F814-L868 HydrophobicContact CE2-CD1 4.31Å; F814-L868 HydrophobicContact CG-CD1 4.14Å; L842-L868 HydrophobicContact CD1-CB 3.64Å; I850-L868 HydrophobicContact CD1-CD1 3.77Å; I850-L868 HydrophobicContact CG1-CD1 4.28Å; L852-L868 HydrophobicContact CD1-CD1 4.45Å; L852-L868 HydrophobicContact CD1-CD2 4.14Å; V863-L868 HydrophobicContact CG2-CD1 3.79Å; V863-L868 HydrophobicContact CG2-CD2 4.11Å; V863-L868 HydrophobicContact CG2-CG 3.85Å; T864-L868 PolarHBondContact O-N 3.45Å; Y865-L868 PolarHBondContact O-N 3.16Å; L868-C871 PolarHBondContact O-N 3.19Å; L868-F872 VanDerWaalsContact O-CB 3.23Å; L868-F872 WeakPolarHBondContact O-CB 3.43Å; L868-F872 PolarHBondContact O-N 3.02Å
869	K	96.9	Very high	94.7	Very high	53 Å²	53	47.8 Å²	47.8	23%	0.23	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-45.9	173.8	-175.2	175.2	176.6	170.7	0	111.4	L842 D843 Y865 D867 C871 F872 E873	L842-K869 HydrophobicContact CD1-CB 4.36Å; L842-K869 WeakPolarHBondContact O-CB 3.48Å; D843-K869 WeakPolarHBondContact O-CE 3.49Å; D843-K869 PolarHBondContact O-NZ 2.86Å; Y865-K869 WeakPolarHBondContact O-CB 3.42Å; Y865-K869 PolarHBondContact O-N 3.38Å; D867-K869 VanDerWaalsContact C-N 3.31Å; D867-K869 PolarHBondContact O-N 3.47Å; K869-C871 PolarHBondContact O-N 3.13Å; K869-F872 WeakPolarHBondContact O-CB 3.5Å; K869-F872 PolarHBondContact O-N 2.95Å; K869-E873 VanDerWaalsContact CE-CD 3.45Å; K869-E873 WeakPolarHBondContact CE-OE1 3.42Å; K869-E873 HydrophobicContact CG-CG 4.3Å; K869-E873 IonicContact NZ-OE1 2.68Å; K869-E873 WeakPolarHBondContact O-CB 3.04Å; K869-E873 WeakPolarHBondContact O-CG 3.34Å; K869-E873 PolarHBondContact O-N 3.1Å
870	R	96.5	Very high	94.8	Very high	128 Å²	128	48.3 Å²	48.3	48%	0.483	25%	0.246	S	C	.	.	H	α-helix	trans	-58.8	-47.2	174.6	-176.5	-178.8	66.1	-116.6	-8.7	111.5	S866 D867 F872 E873 N874	S866-R870 PolarHBondContact O-N 3.29Å; S866-R870 VanDerWaalsContact O-N 3.16Å; D867-R870 WeakPolarHBondContact O-CB 3.36Å; D867-R870 PolarHBondContact O-N 2.84Å; D867-R870 IonicContact OD1-CZ 2.82Å; D867-R870 VanDerWaalsContact OD1-CZ 3.27Å; D867-R870 IonicContact OD1-NH1 3.59Å; D867-R870 PolarHBondContact OD1-NH1 2.81Å; D867-R870 IonicContact OD1-NH2 3.32Å; D867-R870 PolarHBondContact OD1-NH2 2.9Å; R870-F872 VanDerWaalsContact C-N 3.32Å; R870-F872 PolarHBondContact O-N 3.31Å; R870-E873 PolarHBondContact O-N 3.24Å; R870-N874 VanDerWaalsContact O-CB 3.28Å; R870-N874 WeakPolarHBondContact O-CB 3.43Å; R870-N874 PolarHBondContact O-N 3.07Å; R870-N874 PolarHBondContact O-ND2 3.41Å
871	C	95.6	Very high	94.8	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	23%	0.229	C	C	.	.	H	α-helix	trans	-58.1	-44.2	177.1	-62.3	0	0	0	0	111.9	D807 L811 D867 L868 K869 T875	D807-C871 HydrophobicContact CB-CB 3.81Å; D807-C871 WeakPolarHBondContact OD2-CA 3.47Å; L811-C871 HydrophobicContact CD2-CB 4.25Å; L811-C871 HydrophobicContact CG-CB 4.33Å; D867-C871 PolarHBondContact O-N 3.39Å; D867-C871 PolarHBondContact O-SG 3.05Å; L868-C871 PolarHBondContact O-N 3.19Å; K869-C871 PolarHBondContact O-N 3.13Å; C871-T875 WeakPolarHBondContact O-CB 3.24Å; C871-T875 PolarHBondContact O-N 2.64Å; C871-T875 PolarHBondContact O-OG1 2.77Å
872	F	95.9	Very high	94.6	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-47.8	179.6	174.8	-107.4	0	0	0	112.7	L783 K786 L787 I790 L811 L868 K869 R870 F876	L783-F872 HydrophobicContact CD2-CE1 3.67Å; L783-F872 HydrophobicContact CD2-CZ 3.85Å; K786-F872 HydrophobicContact CB-CE2 3.76Å; K786-F872 HydrophobicContact CB-CZ 3.51Å; K786-F872 HydrophobicContact CD-CE1 3.98Å; K786-F872 HydrophobicContact CD-CZ 3.69Å; K786-F872 HydrophobicContact CG-CZ 4.26Å; L787-F872 HydrophobicContact CB-CE2 4.1Å; L787-F872 HydrophobicContact CD1-CD2 4.44Å; L787-F872 HydrophobicContact CD1-CE2 4.46Å; I790-F872 HydrophobicContact CD1-CD2 4.02Å; I790-F872 HydrophobicContact CD1-CE2 4.34Å; L811-F872 HydrophobicContact CD1-CB 4.38Å; L811-F872 HydrophobicContact CD2-CB 3.76Å; L811-F872 HydrophobicContact CD2-CD2 4.46Å; L868-F872 VanDerWaalsContact O-CB 3.23Å; L868-F872 WeakPolarHBondContact O-CB 3.43Å; L868-F872 PolarHBondContact O-N 3.02Å; K869-F872 WeakPolarHBondContact O-CB 3.5Å; K869-F872 PolarHBondContact O-N 2.95Å; R870-F872 VanDerWaalsContact C-N 3.32Å; R870-F872 PolarHBondContact O-N 3.31Å; F872-F876 WeakPolarHBondContact O-CB 3.45Å; F872-F876 PolarHBondContact O-N 2.75Å
873	E	95.5	Very high	94.3	Very high	78 Å²	78	43.3 Å²	43.3	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-69.2	-42.7	-179.1	-71	179.3	156.8	0	0	111.7	K869 R870 F876 Q877	K869-E873 VanDerWaalsContact CE-CD 3.45Å; K869-E873 WeakPolarHBondContact CE-OE1 3.42Å; K869-E873 HydrophobicContact CG-CG 4.3Å; K869-E873 IonicContact NZ-OE1 2.68Å; K869-E873 WeakPolarHBondContact O-CB 3.04Å; K869-E873 WeakPolarHBondContact O-CG 3.34Å; K869-E873 PolarHBondContact O-N 3.1Å; R870-E873 PolarHBondContact O-N 3.24Å; E873-F876 PolarHBondContact O-N 3.44Å; E873-Q877 WeakPolarHBondContact O-CB 3.37Å; E873-Q877 VanDerWaalsContact O-CG 3.31Å; E873-Q877 WeakPolarHBondContact O-CG 3.48Å; E873-Q877 PolarHBondContact O-N 2.91Å
874	N	94.8	Very high	94	Very high	75 Å²	75	47.4 Å²	47.4	40%	0.401	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-51.9	174.6	-71.5	-7.6	0	0	0	111.5	R870 F876 Q877 E878	R870-N874 VanDerWaalsContact O-CB 3.28Å; R870-N874 WeakPolarHBondContact O-CB 3.43Å; R870-N874 PolarHBondContact O-N 3.07Å; R870-N874 PolarHBondContact O-ND2 3.41Å; N874-F876 VanDerWaalsContact C-N 3.3Å; N874-F876 PolarHBondContact O-N 3.13Å; N874-Q877 PolarHBondContact O-N 3.35Å; N874-Q877 VanDerWaalsContact O-N 3.17Å; N874-E878 PolarHBondContact O-N 2.81Å
875	T	93.5	Very high	93.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-33.4	-178.1	-59.5	0	0	0	0	111.8	I790 W802 R808 L811 C871 L879	I790-T875 HydrophobicContact CB-CG2 4.46Å; I790-T875 HydrophobicContact CD1-CG2 4.08Å; I790-T875 HydrophobicContact CG1-CG2 4.05Å; I790-T875 HydrophobicContact CG2-CG2 3.6Å; W802-T875 HydrophobicContact CH2-CG2 3.43Å; W802-T875 VanDerWaalsContact CH2-CG2 3.43Å; W802-T875 HydrophobicContact CZ2-CG2 3.71Å; W802-T875 HydrophobicContact CZ3-CG2 4.4Å; R808-T875 HydrophobicContact CG-CG2 3.7Å; R808-T875 PolarHBondContact NE-OG1 2.91Å; L811-T875 HydrophobicContact CD1-CG2 4.45Å; C871-T875 WeakPolarHBondContact O-CB 3.24Å; C871-T875 PolarHBondContact O-N 2.64Å; C871-T875 PolarHBondContact O-OG1 2.77Å; T875-L879 WeakPolarHBondContact O-CG 3.46Å; T875-L879 PolarHBondContact O-N 2.8Å
876	F	93.8	Very high	91.5	Very high	43 Å²	43	56.1 Å²	56.1	19%	0.189	31%	0.312	C	S	.	.	H	α-helix	trans	-72.9	-34.2	174.2	-164.1	-111.9	0	0	0	112.7	K786 T789 I790 F872 E873 N874 L879 I880	K786-F876 HydrophobicContact CB-CD2 4.08Å; K786-F876 HydrophobicContact CB-CE2 4.09Å; K786-F876 HydrophobicContact CD-CD1 3.93Å; K786-F876 HydrophobicContact CD-CE1 3.96Å; K786-F876 HydrophobicContact CD-CG 4.22Å; K786-F876 HydrophobicContact CD-CZ 4.3Å; K786-F876 HydrophobicContact CG-CD1 4.15Å; K786-F876 HydrophobicContact CG-CD2 4.02Å; K786-F876 HydrophobicContact CG-CE1 3.86Å; K786-F876 HydrophobicContact CG-CE2 3.75Å; K786-F876 HydrophobicContact CG-CG 4.23Å; K786-F876 HydrophobicContact CG-CZ 3.68Å; T789-F876 HydrophobicContact CG2-CE2 4.3Å; I790-F876 HydrophobicContact CD1-CB 4.22Å; I790-F876 HydrophobicContact CD1-CD2 4.41Å; F872-F876 WeakPolarHBondContact O-CB 3.45Å; F872-F876 PolarHBondContact O-N 2.75Å; E873-F876 PolarHBondContact O-N 3.44Å; N874-F876 VanDerWaalsContact C-N 3.3Å; N874-F876 PolarHBondContact O-N 3.13Å; F876-L879 PolarHBondContact O-N 3.43Å; F876-I880 HydrophobicContact CD1-CD1 3.63Å; F876-I880 HydrophobicContact CD1-CG1 4.36Å; F876-I880 HydrophobicContact CE1-CD1 3.53Å; F876-I880 HydrophobicContact CE1-CG1 4.12Å; F876-I880 HydrophobicContact CZ-CD1 4.36Å; F876-I880 WeakPolarHBondContact O-CG1 3.37Å; F876-I880 PolarHBondContact O-N 2.87Å; F876-I880 VanDerWaalsContact O-N 3.09Å
877	Q	94.1	Very high	89.6	Confident	124 Å²	124	60.8 Å²	60.8	58%	0.579	33%	0.333	S	S	*	.	H	α-helix	trans	-66.4	-38.6	174.3	-75.9	178.5	49.4	0	0	112.4	E873 N874 L879 I880 A881	E873-Q877 WeakPolarHBondContact O-CB 3.37Å; E873-Q877 VanDerWaalsContact O-CG 3.31Å; E873-Q877 WeakPolarHBondContact O-CG 3.48Å; E873-Q877 PolarHBondContact O-N 2.91Å; N874-Q877 PolarHBondContact O-N 3.35Å; N874-Q877 VanDerWaalsContact O-N 3.17Å; Q877-L879 VanDerWaalsContact C-N 3.35Å; Q877-L879 PolarHBondContact O-N 3.02Å; Q877-I880 PolarHBondContact O-N 2.92Å; Q877-A881 WeakPolarHBondContact O-CB 3.34Å; Q877-A881 PolarHBondContact O-N 3.34Å
878	E	91.4	Very high	89.3	Confident	44 Å²	44	61.5 Å²	61.5	21%	0.206	34%	0.336	C	S	.	.	H	α-helix	trans	-57	-46.2	172.9	-177.9	-179.2	164.2	0	0	111.9	F796 W802 R808 N874 I880 A881 A882 L887	F796-E878 HydrophobicContact CE1-CG 3.91Å; F796-E878 WeakPolarHBondContact CE1-OE1 3.31Å; F796-E878 HydrophobicContact CZ-CG 4.17Å; W802-E878 PolarHBondContact NE1-OE1 3.47Å; R808-E878 IonicContact CZ-OE2 2.77Å; R808-E878 IonicContact NH1-OE1 2.67Å; R808-E878 IonicContact NH1-OE2 2.69Å; R808-E878 PolarHBondContact NH1-OE2 2.85Å; R808-E878 IonicContact NH2-OE2 2.64Å; R808-E878 PolarHBondContact NH2-OE2 3.04Å; N874-E878 PolarHBondContact O-N 2.81Å; E878-I880 PolarHBondContact O-N 2.86Å; E878-A881 PolarHBondContact O-N 3.02Å; E878-A882 PolarHBondContact O-N 3.02Å; E878-L887 HydrophobicContact CG-CD1 4.07Å; E878-L887 WeakPolarHBondContact O-CD1 3.39Å
879	L	90.6	Very high	88.9	Confident	14 Å²	14	64.6 Å²	64.6	7%	0.073	35%	0.354	C	S	.	.	H	α-helix	trans	-64.7	-37.4	176.1	-66.6	-179	0	0	0	112.9	T789 I790 F796 W802 T875 F876 Q877 A883	T789-L879 HydrophobicContact CG2-CD1 4.18Å; T789-L879 WeakPolarHBondContact O-CD1 3.46Å; I790-L879 HydrophobicContact CG1-CD1 3.84Å; F796-L879 HydrophobicContact CD2-CD2 3.61Å; F796-L879 HydrophobicContact CE2-CD2 3.42Å; F796-L879 VanDerWaalsContact CE2-CD2 3.42Å; F796-L879 HydrophobicContact CG-CD2 4.27Å; F796-L879 HydrophobicContact CZ-CD2 3.91Å; W802-L879 HydrophobicContact CH2-CD1 3.89Å; W802-L879 HydrophobicContact CH2-CD2 3.59Å; W802-L879 HydrophobicContact CH2-CG 3.77Å; W802-L879 HydrophobicContact CZ2-CD2 3.85Å; W802-L879 HydrophobicContact CZ2-CG 4.17Å; W802-L879 HydrophobicContact CZ3-CD2 4.26Å; T875-L879 WeakPolarHBondContact O-CG 3.46Å; T875-L879 PolarHBondContact O-N 2.8Å; F876-L879 PolarHBondContact O-N 3.43Å; Q877-L879 VanDerWaalsContact C-N 3.35Å; Q877-L879 PolarHBondContact O-N 3.02Å; L879-A883 WeakPolarHBondContact O-CB 3.31Å; L879-A883 PolarHBondContact O-N 2.85Å; L879-A883 VanDerWaalsContact O-N 3.08Å
880	I	92.7	Very high	88.5	Confident	72 Å²	72	65.3 Å²	65.3	37%	0.369	36%	0.361	S	S	.	.	H	α-helix	trans	-65.9	-45.9	174.2	-70.7	164.4	0	0	0	110.8	F876 Q877 E878 A882 A883 N884	F876-I880 HydrophobicContact CD1-CD1 3.63Å; F876-I880 HydrophobicContact CD1-CG1 4.36Å; F876-I880 HydrophobicContact CE1-CD1 3.53Å; F876-I880 HydrophobicContact CE1-CG1 4.12Å; F876-I880 HydrophobicContact CZ-CD1 4.36Å; F876-I880 WeakPolarHBondContact O-CG1 3.37Å; F876-I880 PolarHBondContact O-N 2.87Å; F876-I880 VanDerWaalsContact O-N 3.09Å; Q877-I880 PolarHBondContact O-N 2.92Å; E878-I880 PolarHBondContact O-N 2.86Å; I880-A882 PolarHBondContact O-N 2.64Å; I880-A883 PolarHBondContact O-N 2.56Å; I880-A883 VanDerWaalsContact O-N 3.15Å; I880-N884 WeakPolarHBondContact CG2-ND2 3.28Å; I880-N884 WeakPolarHBondContact O-CB 3.44Å; I880-N884 VanDerWaalsContact O-CG 3.3Å; I880-N884 PolarHBondContact O-N 3.05Å; I880-N884 PolarHBondContact O-ND2 3.41Å
881	A	91.8	Very high	88	Confident	20 Å²	20	61.6 Å²	61.6	17%	0.165	35%	0.353	C	S	.	.	H	α-helix	trans	-62.5	-42.8	-177.8	0	0	0	0	0	111.1	Q877 E878 N884 G885 Q886 L887	Q877-A881 WeakPolarHBondContact O-CB 3.34Å; Q877-A881 PolarHBondContact O-N 3.34Å; E878-A881 PolarHBondContact O-N 3.02Å; A881-N884 PolarHBondContact O-N 3.06Å; A881-G885 PolarHBondContact O-N 3.14Å; A881-Q886 HydrophobicContact CB-CB 4.21Å; A881-Q886 WeakPolarHBondContact O-CA 3.44Å; A881-Q886 WeakPolarHBondContact O-CB 3.44Å; A881-Q886 PolarHBondContact O-N 3.2Å; A881-L887 HydrophobicContact CB-CD1 3.88Å; A881-L887 HydrophobicContact CB-CD2 4.46Å; A881-L887 HydrophobicContact CB-CG 3.74Å
882	A	88.6	Confident	87.5	Confident	33 Å²	33	65.3 Å²	65.3	27%	0.273	38%	0.375	S	S	.	.	H	α-helix	trans	-62.9	-41.8	171.8	0	0	0	0	0	112.9	F796 E878 I880 N884 G885 L887	F796-A882 HydrophobicContact CE2-CB 3.62Å; F796-A882 HydrophobicContact CZ-CB 3.47Å; F796-A882 VanDerWaalsContact CZ-CB 3.47Å; E878-A882 PolarHBondContact O-N 3.02Å; I880-A882 PolarHBondContact O-N 2.64Å; A882-N884 PolarHBondContact O-N 2.89Å; A882-G885 PolarHBondContact O-N 2.85Å; A882-G885 VanDerWaalsContact O-N 3.12Å; A882-L887 HydrophobicContact CB-CD1 4.16Å
883	A	88.2	Confident	87	Confident	88 Å²	88	69.3 Å²	69.3	73%	0.727	40%	0.398	S	S	*	.	H	α-helix	trans	-63.5	-29.3	177	0	0	0	0	0	113.1	L879 I880	L879-A883 WeakPolarHBondContact O-CB 3.31Å; L879-A883 PolarHBondContact O-N 2.85Å; L879-A883 VanDerWaalsContact O-N 3.08Å; I880-A883 PolarHBondContact O-N 2.56Å; I880-A883 VanDerWaalsContact O-N 3.15Å
884	N	89.3	Confident	86.3	Confident	102 Å²	102	68.6 Å²	68.6	55%	0.545	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.9	175.9	-67.6	-18.2	0	0	0	114	I880 A881 A882 Q886	I880-N884 WeakPolarHBondContact CG2-ND2 3.28Å; I880-N884 WeakPolarHBondContact O-CB 3.44Å; I880-N884 VanDerWaalsContact O-CG 3.3Å; I880-N884 PolarHBondContact O-N 3.05Å; I880-N884 PolarHBondContact O-ND2 3.41Å; A881-N884 PolarHBondContact O-N 3.06Å; A882-N884 PolarHBondContact O-N 2.89Å; N884-Q886 HydrophobicContact CB-CG 3.75Å; N884-Q886 PolarHBondContact ND2-OE1 3.26Å; N884-Q886 VanDerWaalsContact ND2-OE1 3.1Å
885	G	77.9	Confident	85.7	Confident	67 Å²	67	68.2 Å²	68.2	69%	0.691	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	32.4	-173.3	0	0	0	0	0	114	A881 A882	A881-G885 PolarHBondContact O-N 3.14Å; A882-G885 PolarHBondContact O-N 2.85Å; A882-G885 VanDerWaalsContact O-N 3.12Å
886	Q	64.4	Low	85.1	Confident	136 Å²	136	73.8 Å²	73.8	64%	0.636	43%	0.433	S	S	*	.			trans	-105.6	11.7	-178	-60.2	176.5	-51.9	0	0	113.1	A881 N884	A881-Q886 HydrophobicContact CB-CB 4.21Å; A881-Q886 WeakPolarHBondContact O-CA 3.44Å; A881-Q886 WeakPolarHBondContact O-CB 3.44Å; A881-Q886 PolarHBondContact O-N 3.2Å; N884-Q886 HydrophobicContact CB-CG 3.75Å; N884-Q886 PolarHBondContact ND2-OE1 3.26Å; N884-Q886 VanDerWaalsContact ND2-OE1 3.1Å
887	L	57.9	Low	84.3	Confident	143 Å²	143	76.6 Å²	76.6	75%	0.749	46%	0.456	S	S	*	.			trans	-133.3	0	173.9	-70.7	177	0	0	0	110.1	E878 A881 A882	E878-L887 HydrophobicContact CG-CD1 4.07Å; E878-L887 WeakPolarHBondContact O-CD1 3.39Å; A881-L887 HydrophobicContact CB-CD1 3.88Å; A881-L887 HydrophobicContact CB-CD2 4.46Å; A881-L887 HydrophobicContact CB-CG 3.74Å; A882-L887 HydrophobicContact CB-CD1 4.16Å

Retrieved 887 of 887 residues in 3860.3 ms (Link to these results)

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