A0A087X6G4_POEFO Loading...

Leucine-rich repeat-containing G-protein coupled receptor 4

AlphaFold DB , UniProt , Accession A0A087X6G4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 977 aa.

						>A0A087X6G4_POEFO|A0A087X6G4
MRVDLFWICLWCFIRPSASGQGQSTAVCSPSCSCDEDGGADCSGRGLTTVPTGLSTFTYYLDLSMNNITELPAYVFKKFPYLEELRLAGNDLTFIHPDALSGLHQLKVLMLQNNQLKSVPNAALKNLHSLQSLRLDANHITTVPDDSFEGLQQLRHLWLDDNHLTDIPVSSLRHQSNLQALTLALNRILYIPDNAFGNLTSLVVLHLHNNRIKEIGANCFVGLVNLETLDLNFNNLKEFPKAIEALPKLKELGFHSNDIAAIPERAFHNNPMLRTIHFYDNPLSFVGASAFQNLSDLRSLMLRGASLMKDFPILTWTNNLDSLTLSGTKISSIPADLCEDLKFLQTLDLSYNEVKQLPSFQGCSRLQEISFQHNHIQQIDRDTFQDLSALRLLDLSRNEIRVIHKDAFLSLTGLTNLDLSMNSLSVIPTTGLSAVIQLKLSGNPQMKNVLPAKNLPKLRSISVPYAYQCCAFIGCDSVTRSAEQTDVKKSTGVEGGEQVSMIMHCSPSPGAFKPCEHLLGNWMIRLTVWFICLVSLVFNSLVLVTTFSPAHRAAGYSHYLTPSLSPARLLMGLLALANLLTGLYVGILTVLDAATWGSFAEFGAWWEMGPGCQITGALAVFSSEWSVLLLALAAVERSMAVRMILGKVLMSPRRNGSSHRRCFRGYQCFGLAAGLLGLLAAAGACLPLLTFSDQSSSPLCLPFAGGESPALSVTVILVLLNALAYLFTAAVYTQLYCHLGRVELADPEQTGALRHVAWLIFTNCIFFCPVAAFSFAPLLTGSTAGGPEIAKSVTLIFFPLPACLNPVLYVFFSPAFREDWLRLHGHMDLTQEVKAGTESGCDDGGGGSELTDEGSFSHLGFDCGVYSQLCGETVCEQCEAVLRARTCSSPSASSVCRHLVKSHSCPTLLAGAAICPRSEGFWADSGTPSAQSEYADEGDSFVSDSSDQVQACGRACFCQSRGLPLVHYSYNIPRVKD
					

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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	36.2	Very low	36.6	Very low	237 Å²	237	172.5 Å²	172.5	100%	1.167	82%	0.815	S	S	*	*				0	129.5	0	-69.6	150.2	165.8	0	0	106
2	R	33.4	Very low	36.5	Very low	237 Å²	237	167.4 Å²	167.4	89%	0.894	81%	0.809	S	S	*	*				59.2	118.5	55.4	-82.2	-161.1	177.8	-178.5	0.3	111.2
3	V	34.5	Very low	36.4	Very low	111 Å²	111	169.4 Å²	169.4	67%	0.673	81%	0.812	S	S	*	*			cis	-150.4	170.7	-2.8	-151.1	0	0	0	0	109
4	D	37.7	Very low	36.3	Very low	107 Å²	107	168.6 Å²	168.6	57%	0.572	81%	0.812	S	S	*	*			trans	68	122.7	155.7	-66.1	-51.3	0	0	0	119.1	F6	D4-F6 HydrophobicContact CB-CB 3.92Å
5	L	40.1	Very low	36	Very low	157 Å²	157	173.2 Å²	173.2	82%	0.822	82%	0.818	S	S	*	*			cis	82.3	-33.7	6.2	-143.2	83.4	0	0	0	118.9	W7	L5-W7 PolarHBondContact O-N 3.06Å
6	F	36.5	Very low	35.9	Very low	173 Å²	173	169.4 Å²	169.4	76%	0.759	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	21.5	-161.3	-145.1	-96.7	0	0	0	117.4	D4	D4-F6 HydrophobicContact CB-CB 3.92Å
7	W	35.8	Very low	35.9	Very low	220 Å²	220	165.9 Å²	165.9	83%	0.833	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	1.1	-170.5	-87.1	95.4	0	0	0	116.7	L5	L5-W7 PolarHBondContact O-N 3.06Å
8	I	41.5	Very low	35.8	Very low	146 Å²	146	162 Å²	162	75%	0.749	81%	0.809	S	S	*	*	S	Bend	trans	-86	-14.8	-175.3	-66.1	173.5	0	0	0	113.3
9	C	35.9	Very low	35.7	Very low	120 Å²	120	158.7 Å²	158.7	81%	0.811	80%	0.803	S	S	*	*	S	Bend	trans	-104.3	11.6	-169.6	-69.6	0	0	0	0	116.5
10	L	35.9	Very low	35.5	Very low	142 Å²	142	154.4 Å²	154.4	74%	0.743	80%	0.8	S	S	*	*	S	Bend	trans	-122.8	22.4	-174.6	-146.8	77.6	0	0	0	115.6
11	W	34.9	Very low	35.4	Very low	248 Å²	248	154.6 Å²	154.6	94%	0.939	80%	0.797	S	S	*	*	S	Bend	trans	-122.5	16	178.1	-110.6	41.7	0	0	0	114.4
12	C	35.4	Very low	35.3	Very low	111 Å²	111	146.8 Å²	146.8	75%	0.75	78%	0.778	S	S	*	*	S	Bend	trans	-100.2	0.7	179.9	-68.6	0	0	0	0	115.2
13	F	35.2	Very low	35.3	Very low	193 Å²	193	142.7 Å²	142.7	85%	0.846	77%	0.769	S	S	*	*	S	Bend	trans	-132.9	148.5	176.7	-76.8	-85.6	0	0	0	111.2
14	I	35.5	Very low	35.6	Very low	158 Å²	158	142.7 Å²	142.7	81%	0.81	77%	0.774	S	S	*	*			trans	72.1	79.8	-173.7	-45.7	173.4	0	0	0	113.5	P16	I14-P16 WeakPolarHBondContact O-CD 3.45Å
15	R	30.9	Very low	36	Very low	238 Å²	238	142.5 Å²	142.5	90%	0.898	78%	0.777	S	S	*	*			trans	-67.4	137.6	149	-77.8	178.3	168.8	178.4	-4.6	109.3
16	P	34.6	Very low	36.6	Very low	112 Å²	112	138.9 Å²	138.9	73%	0.727	77%	0.77	S	S	*	*			trans	-88.2	132.1	135.4	-13	30	0	0	0	108.6	I14 A18	I14-P16 WeakPolarHBondContact O-CD 3.45Å; P16-A18 PolarHBondContact O-N 2.97Å
17	S	36.6	Very low	38	Very low	111 Å²	111	134.7 Å²	134.7	78%	0.776	76%	0.758	S	S	*	*			trans	-79	72.9	175	-172.4	0	0	0	0	110.6	S19	S17-S19 VanDerWaalsContact C-N 3.33Å; S17-S19 PolarHBondContact O-N 3.21Å
18	A	32.8	Very low	39.9	Very low	95 Å²	95	126.4 Å²	126.4	79%	0.785	73%	0.733	S	S	*	*			trans	-74.8	85.9	171.1	0	0	0	0	0	109.6	P16 G20	P16-A18 PolarHBondContact O-N 2.97Å; A18-G20 PolarHBondContact O-N 3.31Å
19	S	34.3	Very low	41.6	Very low	99 Å²	99	119.9 Å²	119.9	69%	0.692	70%	0.7	S	S	*	*			trans	-71.3	70.7	173.7	56.2	0	0	0	0	110.8	S17 Q21	S17-S19 VanDerWaalsContact C-N 3.33Å; S17-S19 PolarHBondContact O-N 3.21Å; S19-Q21 VanDerWaalsContact C-N 3.28Å; S19-Q21 PolarHBondContact O-N 3.43Å
20	G	31.9	Very low	43.6	Very low	73 Å²	73	120.4 Å²	120.4	75%	0.753	70%	0.702	S	S	*	*			trans	-68.5	84.5	171.6	0	0	0	0	0	110.2	A18 G22	A18-G20 PolarHBondContact O-N 3.31Å; G20-G22 PolarHBondContact O-N 3.03Å
21	Q	32.8	Very low	45.8	Very low	158 Å²	158	115.9 Å²	115.9	74%	0.738	68%	0.683	S	S	*	*			trans	-68.2	76.2	168.6	-77.1	-174.3	-52.2	0	0	109.9	S19 Q23	S19-Q21 VanDerWaalsContact C-N 3.28Å; S19-Q21 PolarHBondContact O-N 3.43Å; Q21-Q23 PolarHBondContact O-N 3.02Å
22	G	34.2	Very low	48.3	Very low	74 Å²	74	104.8 Å²	104.8	76%	0.763	64%	0.642	S	S	*	*			trans	-69.5	69.8	159.4	0	0	0	0	0	109.5	G20 S24	G20-G22 PolarHBondContact O-N 3.03Å; G22-S24 PolarHBondContact O-N 2.94Å
23	Q	34.6	Very low	50.9	Low	150 Å²	150	102.4 Å²	102.4	70%	0.701	63%	0.627	S	S	*	*			trans	-68.9	76.4	170.5	-79.8	-172	-35	0	0	109.6	Q21 T25	Q21-Q23 PolarHBondContact O-N 3.02Å; Q23-T25 PolarHBondContact O-N 3.08Å
24	S	40.7	Very low	53.4	Low	112 Å²	112	95 Å²	95	78%	0.783	60%	0.599	S	S	*	*			trans	-67.3	85.7	151.1	178.4	0	0	0	0	106.7	G22 A26	G22-S24 PolarHBondContact O-N 2.94Å; S24-A26 PolarHBondContact O-N 3.07Å
25	T	45.2	Very low	55.8	Low	103 Å²	103	92 Å²	92	63%	0.632	58%	0.584	S	S	*	*			trans	-52.5	114.3	172.7	49.8	0	0	0	0	108.2	Q23 V27	Q23-T25 PolarHBondContact O-N 3.08Å; T25-V27 WeakPolarHBondContact O-CG2 3.26Å; T25-V27 PolarHBondContact O-N 3.41Å
26	A	53.8	Low	58	Low	81 Å²	81	90.4 Å²	90.4	67%	0.669	59%	0.587	S	S	*	*			trans	-57	110.3	-178.9	0	0	0	0	0	109	S24 C28	S24-A26 PolarHBondContact O-N 3.07Å; A26-C28 PolarHBondContact O-N 3.23Å
27	V	64.8	Low	59.9	Low	85 Å²	85	91.6 Å²	91.6	52%	0.515	59%	0.587	S	S	.	*			trans	-79	82.3	-176.1	-169.9	0	0	0	0	107.6	T25 G53 L54 S55	T25-V27 WeakPolarHBondContact O-CG2 3.26Å; T25-V27 PolarHBondContact O-N 3.41Å; V27-G53 CarbonylContact C-O 3.29Å; V27-G53 VanDerWaalsContact O-O 3.04Å; V27-L54 CarbonylContact O-C 3.5Å; V27-L54 WeakPolarHBondContact O-CA 3.48Å; V27-S55 PolarHBondContact O-N 3.35Å
28	C	75.5	Confident	61.8	Low	45 Å²	45	87 Å²	87	30%	0.304	56%	0.558	S	S	.	*			trans	-100.2	136.9	176.1	-164.6	0	0	0	0	109.9	A26 C34 G53	A26-C28 PolarHBondContact O-N 3.23Å; C28-C34 VanDerWaalsContact CA-SG 3.52Å; C28-C34 HydrophobicContact CB-CB 3.67Å; C28-C34 WeakPolarHBondContact CB-SG 3.34Å; C28-C34 WeakPolarHBondContact SG-CB 3.33Å; C28-C34 PolarHBondContact SG-N 3.37Å; C28-C34 VanDerWaalsContact SG-N 3.42Å; C28-C34 CovalentContact SG-SG 2.04Å; C28-C34 PolarHBondContact SG-SG 2.8Å; C28-G53 CarbonylContact C-O 3.57Å
29	S	78.6	Confident	64.5	Low	10 Å²	10	82.5 Å²	82.5	7%	0.07	52%	0.52	C	S	.	.			trans	-70	137.9	173.1	-161	0	0	0	0	109	S31 C32 T52 G53	S29-S31 PolarHBondContact O-N 2.88Å; S29-C32 PolarHBondContact O-N 3.26Å; S29-T52 VanDerWaalsContact CB-O 3.28Å; S29-T52 WeakPolarHBondContact CB-O 3.42Å; S29-T52 PolarHBondContact OG-O 3.11Å; S29-G53 PolarHBondContact N-O 3.01Å; S29-G53 VanDerWaalsContact N-O 3.16Å
30	P	77.2	Confident	67.3	Low	130 Å²	130	77.8 Å²	77.8	84%	0.844	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-16	-179.9	26.7	-35.9	0	0	0	113.2	C32	P30-C32 VanDerWaalsContact C-N 3.29Å
31	S	81.4	Confident	70.2	Confident	48 Å²	48	77.2 Å²	77.2	34%	0.336	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-8	172.4	-57.3	0	0	0	0	114.2	S29 R45	S29-S31 PolarHBondContact O-N 2.88Å; S31-R45 WeakPolarHBondContact O-CG 3.34Å; S31-R45 PolarHBondContact O-NH1 2.96Å
32	C	88.7	Confident	73.1	Confident	14 Å²	14	69.7 Å²	69.7	10%	0.095	43%	0.432	C	S	.	.	S	Bend	trans	-124.6	166.4	-172.3	-52.7	0	0	0	0	112	S29 P30 D41 C42 L54	S29-C32 PolarHBondContact O-N 3.26Å; P30-C32 VanDerWaalsContact C-N 3.29Å; C32-D41 CarbonylContact C-O 3.5Å; C32-D41 WeakPolarHBondContact CA-O 3.42Å; C32-C42 HydrophobicContact CB-CB 3.96Å; C32-C42 WeakPolarHBondContact CB-SG 3.43Å; C32-C42 WeakPolarHBondContact SG-CB 3.44Å; C32-C42 CovalentContact SG-SG 2.04Å; C32-C42 PolarHBondContact SG-SG 3.09Å; C32-L54 HydrophobicContact CB-CD2 4.5Å
33	S	90	Very high	76	Confident	61 Å²	61	67.9 Å²	67.9	43%	0.427	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	147.1	155.6	-165	0	0	0	0	108.4	A40 D41	S33-A40 WeakPolarHBondContact O-CA 3.48Å; S33-D41 PolarHBondContact N-O 3.29Å; S33-D41 PolarHBondContact O-N 3.42Å
34	C	88.5	Confident	78.8	Confident	39 Å²	39	63.4 Å²	63.4	26%	0.264	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.7	175.1	-49.3	0	0	0	0	110.8	C28 G39	C28-C34 VanDerWaalsContact CA-SG 3.52Å; C28-C34 HydrophobicContact CB-CB 3.67Å; C28-C34 WeakPolarHBondContact CB-SG 3.34Å; C28-C34 WeakPolarHBondContact SG-CB 3.33Å; C28-C34 PolarHBondContact SG-N 3.37Å; C28-C34 VanDerWaalsContact SG-N 3.42Å; C28-C34 CovalentContact SG-SG 2.04Å; C28-C34 PolarHBondContact SG-SG 2.8Å; C34-G39 CarbonylContact C-O 3.55Å; C34-G39 WeakPolarHBondContact CA-O 3.37Å; C34-G39 WeakPolarHBondContact CB-O 3.48Å
35	D	84.9	Confident	81.3	Confident	93 Å²	93	63.6 Å²	63.6	50%	0.497	39%	0.385	S	S	.	.			trans	-92.2	161.5	-177	-58.5	-39.9	0	0	0	111.7	D37 G38 G39	D35-D37 PolarHBondContact O-N 3.11Å; D35-G38 PolarHBondContact O-N 2.98Å; D35-G39 PolarHBondContact N-O 3.02Å
36	E	76.2	Confident	83.5	Confident	205 Å²	205	61.2 Å²	61.2	96%	0.958	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.5	-179.5	-62.6	-166	159.7	0	0	112.9	G38	E36-G38 PolarHBondContact O-N 3.15Å
37	D	75.5	Confident	85.4	Confident	137 Å²	137	58.6 Å²	58.6	73%	0.733	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-4.3	173.7	-65.9	-52.1	0	0	0	113.5	D35 Y59	D35-D37 PolarHBondContact O-N 3.11Å; D37-Y59 HydrophobicContact CB-CE1 4Å; D37-Y59 WeakPolarHBondContact O-CD1 3.46Å; D37-Y59 WeakPolarHBondContact O-CE1 3.23Å
38	G	76.1	Confident	86.8	Confident	15 Å²	15	58.9 Å²	58.9	16%	0.155	36%	0.358	C	S	.	.	S	Bend	trans	94.6	2.8	174.4	0	0	0	0	0	116	D35 E36 T58	D35-G38 PolarHBondContact O-N 2.98Å; E36-G38 PolarHBondContact O-N 3.15Å; G38-T58 VanDerWaalsContact O-CA 3.25Å; G38-T58 WeakPolarHBondContact O-CA 3.36Å; G38-T58 WeakPolarHBondContact O-CB 3.46Å; G38-T58 WeakPolarHBondContact O-CG2 3.44Å; G38-T58 PolarHBondContact O-OG1 3.3Å
39	G	89.7	Confident	87.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	37%	0.372	C	S	.	.			trans	-61	148.5	168.3	0	0	0	0	0	111.7	C34 D35	C34-G39 CarbonylContact C-O 3.55Å; C34-G39 WeakPolarHBondContact CA-O 3.37Å; C34-G39 WeakPolarHBondContact CB-O 3.48Å; D35-G39 PolarHBondContact N-O 3.02Å
40	A	92.8	Very high	88.1	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.008	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122.6	179.6	0	0	0	0	0	111.8	S33 L54 T58 Y60 L61 D62	S33-A40 WeakPolarHBondContact O-CA 3.48Å; A40-L54 HydrophobicContact CB-CD2 4Å; A40-T58 HydrophobicContact CB-CG2 4.1Å; A40-Y60 PolarHBondContact N-O 2.98Å; A40-L61 HydrophobicContact CB-CD1 4.01Å; A40-L61 WeakPolarHBondContact O-CA 3.26Å; A40-D62 PolarHBondContact O-N 3.02Å
41	D	94	Very high	88.7	Confident	60 Å²	60	56.2 Å²	56.2	32%	0.321	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	112.7	174.5	173.1	23.6	0	0	0	110.2	C32 S33 S43	C32-D41 CarbonylContact C-O 3.5Å; C32-D41 WeakPolarHBondContact CA-O 3.42Å; S33-D41 PolarHBondContact N-O 3.29Å; S33-D41 PolarHBondContact O-N 3.42Å; D41-S43 WeakPolarHBondContact OD1-CB 3.44Å; D41-S43 PolarHBondContact OD1-N 2.91Å; D41-S43 PolarHBondContact OD1-OG 3.18Å
42	C	93.9	Very high	88.8	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	36%	0.358	C	S	.	.			trans	-117.2	23.5	175.1	-42.1	0	0	0	0	110.9	C32 R45 L47 P51 D62 L63 N66	C32-C42 HydrophobicContact CB-CB 3.96Å; C32-C42 WeakPolarHBondContact CB-SG 3.43Å; C32-C42 WeakPolarHBondContact SG-CB 3.44Å; C32-C42 CovalentContact SG-SG 2.04Å; C32-C42 PolarHBondContact SG-SG 3.09Å; C42-R45 VanDerWaalsContact O-CG 3.28Å; C42-R45 WeakPolarHBondContact O-CG 3.28Å; C42-L47 HydrophobicContact CB-CD1 3.91Å; C42-P51 HydrophobicContact CB-CG 4.26Å; C42-D62 CarbonylContact C-O 3.59Å; C42-D62 WeakPolarHBondContact CA-O 3.37Å; C42-D62 WeakPolarHBondContact CB-O 3.36Å; C42-D62 PolarHBondContact N-O 2.96Å; C42-L63 HydrophobicContact CB-CD2 3.95Å; C42-N66 PolarHBondContact O-ND2 3.36Å
43	S	95	Very high	88.5	Confident	37 Å²	37	61.1 Å²	61.1	26%	0.259	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	148.7	-174.5	68	0	0	0	0	113.4	D41 R45 S64	D41-S43 WeakPolarHBondContact OD1-CB 3.44Å; D41-S43 PolarHBondContact OD1-N 2.91Å; D41-S43 PolarHBondContact OD1-OG 3.18Å; S43-R45 VanDerWaalsContact C-N 3.29Å; S43-R45 WeakPolarHBondContact O-CG 3.38Å; S43-R45 PolarHBondContact O-N 3.27Å; S43-S64 CarbonylContact C-O 3.45Å; S43-S64 WeakPolarHBondContact CA-O 3.21Å; S43-S64 VanDerWaalsContact CB-O 3.29Å; S43-S64 WeakPolarHBondContact CB-O 3.36Å
44	G	93.3	Very high	88.3	Confident	55 Å²	55	59.2 Å²	59.2	57%	0.567	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	19.1	176.2	0	0	0	0	0	115.2	S64 M65	G44-S64 PolarHBondContact N-O 2.93Å; G44-M65 VanDerWaalsContact CA-O 3.23Å; G44-M65 WeakPolarHBondContact CA-O 3.4Å; G44-M65 PolarHBondContact N-O 3.05Å
45	R	92.4	Very high	88.2	Confident	117 Å²	117	58.9 Å²	58.9	44%	0.442	36%	0.357	S	S	.	.	S	Bend	trans	-100.4	-1	-170.4	-56.5	-60.5	-179.4	100.8	-1.7	114.4	S31 C42 S43 L47 N66	S31-R45 WeakPolarHBondContact O-CG 3.34Å; S31-R45 PolarHBondContact O-NH1 2.96Å; C42-R45 VanDerWaalsContact O-CG 3.28Å; C42-R45 WeakPolarHBondContact O-CG 3.28Å; S43-R45 VanDerWaalsContact C-N 3.29Å; S43-R45 WeakPolarHBondContact O-CG 3.38Å; S43-R45 PolarHBondContact O-N 3.27Å; R45-L47 VanDerWaalsContact C-N 3.3Å; R45-L47 HydrophobicContact CB-CD1 4.3Å; R45-L47 HydrophobicContact CB-CD2 4.34Å; R45-L47 HydrophobicContact CB-CG 3.91Å; R45-L47 PolarHBondContact O-N 3.22Å; R45-N66 WeakPolarHBondContact CA-OD1 3.15Å; R45-N66 PolarHBondContact N-OD1 3.44Å; R45-N66 VanDerWaalsContact N-OD1 3.08Å
46	G	92.1	Very high	88.3	Confident	52 Å²	52	58 Å²	58	54%	0.536	35%	0.354	S	S	.	.			trans	68.2	25	-178	0	0	0	0	0	114.3	N66	G46-N66 PolarHBondContact N-OD1 3.48Å
47	L	93.5	Very high	88.9	Confident	26 Å²	26	54.7 Å²	54.7	14%	0.136	34%	0.337	C	S	.	.			trans	-68.3	133.3	-177.5	-59.4	174.6	0	0	0	111.4	C42 R45 P51 N66 N67 I68	C42-L47 HydrophobicContact CB-CD1 3.91Å; R45-L47 VanDerWaalsContact C-N 3.3Å; R45-L47 HydrophobicContact CB-CD1 4.3Å; R45-L47 HydrophobicContact CB-CD2 4.34Å; R45-L47 HydrophobicContact CB-CG 3.91Å; R45-L47 PolarHBondContact O-N 3.22Å; L47-P51 HydrophobicContact CD1-CB 4.41Å; L47-P51 HydrophobicContact CD1-CG 4.09Å; L47-N66 HydrophobicContact CB-CB 4.25Å; L47-N66 PolarHBondContact N-OD1 3.31Å; L47-N67 CarbonylContact O-C 3.14Å; L47-N67 VanDerWaalsContact O-C 3.25Å; L47-N67 WeakPolarHBondContact O-CA 3.34Å; L47-N67 PolarHBondContact O-N 3.06Å; L47-I68 WeakPolarHBondContact O-CG1 3.34Å; L47-I68 PolarHBondContact O-N 3.29Å
48	T	92.9	Very high	89.6	Confident	92 Å²	92	48.3 Å²	48.3	56%	0.564	30%	0.303	S	S	*	.	S	Bend	trans	-91.9	-12.2	174.2	52.8	0	0	0	0	113.4	N67	T48-N67 HydrophobicContact CG2-CB 4.44Å
49	T	91.6	Very high	90.5	Very high	97 Å²	97	52 Å²	52	60%	0.595	31%	0.313	S	S	*	.	S	Bend	trans	-147.3	159.1	-176.9	50.4	0	0	0	0	110.7
50	V	90.9	Very high	90.7	Very high	18 Å²	18	54 Å²	54	11%	0.109	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-62.7	125.9	176.3	-178.8	0	0	0	0	109.7	L63 L71 V75 F76	V50-L63 HydrophobicContact CG1-CD1 4.21Å; V50-L63 HydrophobicContact CG2-CD1 4.15Å; V50-L71 HydrophobicContact CG2-CD2 4.02Å; V50-V75 HydrophobicContact CB-CG2 3.75Å; V50-V75 HydrophobicContact CG1-CG2 4.2Å; V50-V75 HydrophobicContact CG2-CG2 3.74Å; V50-F76 HydrophobicContact CG1-CE1 3.91Å; V50-F76 HydrophobicContact CG2-CE1 4.11Å; V50-F76 HydrophobicContact CG2-CZ 3.92Å
51	P	88.9	Confident	90.8	Very high	13 Å²	13	54 Å²	54	8%	0.084	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-68.2	142.1	-173	24.9	-31.6	0	0	0	112.4	C42 L47 L54 L63	C42-P51 HydrophobicContact CB-CG 4.26Å; L47-P51 HydrophobicContact CD1-CB 4.41Å; L47-P51 HydrophobicContact CD1-CG 4.09Å; P51-L54 HydrophobicContact CG-CD1 4.23Å; P51-L63 HydrophobicContact CG-CD2 3.99Å
52	T	84.8	Confident	90.9	Very high	125 Å²	125	51.7 Å²	51.7	77%	0.767	31%	0.309	S	S	*	.	S	Bend	trans	-93.9	156.2	176.6	62.9	0	0	0	0	111.2	S29	S29-T52 VanDerWaalsContact CB-O 3.28Å; S29-T52 WeakPolarHBondContact CB-O 3.42Å; S29-T52 PolarHBondContact OG-O 3.11Å
53	G	81.5	Confident	91	Very high	41 Å²	41	51.7 Å²	51.7	42%	0.423	31%	0.309	S	S	.	.	S	Bend	trans	82.9	33.9	-177.2	0	0	0	0	0	114.4	V27 C28 S29	V27-G53 CarbonylContact C-O 3.29Å; V27-G53 VanDerWaalsContact O-O 3.04Å; C28-G53 CarbonylContact C-O 3.57Å; S29-G53 PolarHBondContact N-O 3.01Å; S29-G53 VanDerWaalsContact N-O 3.16Å
54	L	86.2	Confident	91.1	Very high	20 Å²	20	50.7 Å²	50.7	11%	0.105	30%	0.301	C	S	.	.			trans	-95.1	157.3	166.9	-65.1	177.5	0	0	0	111.3	V27 C32 A40 P51 L61 F79	V27-L54 CarbonylContact O-C 3.5Å; V27-L54 WeakPolarHBondContact O-CA 3.48Å; C32-L54 HydrophobicContact CB-CD2 4.5Å; A40-L54 HydrophobicContact CB-CD2 4Å; P51-L54 HydrophobicContact CG-CD1 4.23Å; L54-L61 HydrophobicContact CD1-CD1 3.7Å; L54-L61 HydrophobicContact CD1-CD2 4.31Å; L54-F79 HydrophobicContact CB-CE1 3.75Å; L54-F79 HydrophobicContact CB-CZ 3.95Å; L54-F79 HydrophobicContact CD1-CZ 4.24Å
55	S	86.8	Confident	91.3	Very high	33 Å²	33	54.1 Å²	54.1	23%	0.231	30%	0.304	C	S	.	.			trans	-68.1	145.4	179.7	-176.6	0	0	0	0	113	V27 F57 T58 F79	V27-S55 PolarHBondContact O-N 3.35Å; S55-F57 PolarHBondContact O-N 3.45Å; S55-F57 PolarHBondContact OG-N 2.72Å; S55-T58 PolarHBondContact O-N 3.09Å; S55-T58 PolarHBondContact O-OG1 3.34Å; S55-F79 VanDerWaalsContact O-CD1 3.29Å; S55-F79 WeakPolarHBondContact O-CD1 3.26Å; S55-F79 WeakPolarHBondContact O-CE1 3.42Å
56	T	86.4	Confident	91.5	Very high	73 Å²	73	49.1 Å²	49.1	45%	0.448	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15	171.5	49.6	0	0	0	0	113.5
57	F	88.6	Confident	91.7	Very high	136 Å²	136	50.3 Å²	50.3	60%	0.596	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	5.3	179.9	-58.6	-73.3	0	0	0	113.4	S55 Y59 Y81	S55-F57 PolarHBondContact O-N 3.45Å; S55-F57 PolarHBondContact OG-N 2.72Å; F57-Y59 PolarHBondContact O-N 2.85Å; F57-Y81 HydrophobicContact CD1-CD2 4.2Å; F57-Y81 HydrophobicContact CD1-CE2 4.03Å; F57-Y81 HydrophobicContact CE1-CE2 4.27Å
58	T	91	Very high	91.8	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.018	27%	0.274	C	S	.	.			trans	-65.1	116.3	-178.1	-69.7	0	0	0	0	111.8	G38 A40 S55 Y60 L61 L82	G38-T58 VanDerWaalsContact O-CA 3.25Å; G38-T58 WeakPolarHBondContact O-CA 3.36Å; G38-T58 WeakPolarHBondContact O-CB 3.46Å; G38-T58 WeakPolarHBondContact O-CG2 3.44Å; G38-T58 PolarHBondContact O-OG1 3.3Å; A40-T58 HydrophobicContact CB-CG2 4.1Å; S55-T58 PolarHBondContact O-N 3.09Å; S55-T58 PolarHBondContact O-OG1 3.34Å; T58-Y60 WeakPolarHBondContact CG2-O 3.26Å; T58-L61 HydrophobicContact CG2-CB 4.31Å; T58-L82 HydrophobicContact CG2-CD1 4.15Å; T58-L82 WeakPolarHBondContact O-CD1 3.48Å
59	Y	93.4	Very high	91.9	Very high	92 Å²	92	48 Å²	48	36%	0.361	27%	0.267	S	S	.	.			trans	-93.4	-21.6	179.4	75.8	-89.7	0	0	0	113.2	D37 F57 Y81 E83 E84	D37-Y59 HydrophobicContact CB-CE1 4Å; D37-Y59 WeakPolarHBondContact O-CD1 3.46Å; D37-Y59 WeakPolarHBondContact O-CE1 3.23Å; F57-Y59 PolarHBondContact O-N 2.85Å; Y59-Y81 WeakPolarHBondContact CA-O 3.41Å; Y59-E83 PolarHBondContact O-N 3.17Å; Y59-E84 PolarHBondContact O-N 3.37Å; Y59-E84 VanDerWaalsContact O-N 3.16Å
60	Y	95.1	Very high	92.1	Very high	43 Å²	43	48.6 Å²	48.6	17%	0.169	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.2	-179.7	170	-86.7	0	0	0	109.6	A40 T58 D62 E84 R86	A40-Y60 PolarHBondContact N-O 2.98Å; T58-Y60 WeakPolarHBondContact CG2-O 3.26Å; Y60-D62 HydrophobicContact CE1-CB 3.91Å; Y60-D62 PolarHBondContact OH-OD2 2.93Å; Y60-E84 HydrophobicContact CD2-CB 4.02Å; Y60-E84 HydrophobicContact CD2-CG 3.95Å; Y60-E84 HydrophobicContact CE2-CG 4.12Å; Y60-R86 PolarHBondContact OH-NH1 3.39Å
61	L	95.2	Very high	92.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	114.7	178.5	178.8	55.6	0	0	0	111.3	A40 L54 T58 L63 F76 L82 E84 L85 R86	A40-L61 HydrophobicContact CB-CD1 4.01Å; A40-L61 WeakPolarHBondContact O-CA 3.26Å; L54-L61 HydrophobicContact CD1-CD1 3.7Å; L54-L61 HydrophobicContact CD1-CD2 4.31Å; T58-L61 HydrophobicContact CG2-CB 4.31Å; L61-L63 HydrophobicContact CD1-CD2 4.07Å; L61-L63 HydrophobicContact CD1-CG 4.21Å; L61-L63 HydrophobicContact CD2-CD1 4.18Å; L61-L63 HydrophobicContact CD2-CG 4.45Å; L61-L63 HydrophobicContact CG-CD1 4.28Å; L61-L63 HydrophobicContact CG-CD2 4.41Å; L61-L63 HydrophobicContact CG-CG 4.05Å; L61-F76 HydrophobicContact CD2-CD1 4.23Å; L61-F76 HydrophobicContact CD2-CE1 3.96Å; L61-L82 HydrophobicContact CB-CD1 3.66Å; L61-L82 HydrophobicContact CB-CD2 4.47Å; L61-E84 PolarHBondContact N-O 2.96Å; L61-L85 HydrophobicContact CB-CD1 4.19Å; L61-L85 HydrophobicContact CD2-CD1 4.07Å; L61-L85 HydrophobicContact CG-CD1 4.11Å; L61-R86 PolarHBondContact O-N 3.4Å
62	D	96.5	Very high	92.6	Very high	13 Å²	13	50.4 Å²	50.4	7%	0.07	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.7	173.4	-151.1	-31.7	0	0	0	111.6	A40 C42 Y60 S64 R86	A40-D62 PolarHBondContact O-N 3.02Å; C42-D62 CarbonylContact C-O 3.59Å; C42-D62 WeakPolarHBondContact CA-O 3.37Å; C42-D62 WeakPolarHBondContact CB-O 3.36Å; C42-D62 PolarHBondContact N-O 2.96Å; Y60-D62 HydrophobicContact CE1-CB 3.91Å; Y60-D62 PolarHBondContact OH-OD2 2.93Å; D62-S64 WeakPolarHBondContact OD1-CB 3.5Å; D62-S64 PolarHBondContact OD1-N 3.3Å; D62-S64 PolarHBondContact OD1-OG 3.02Å; D62-R86 WeakPolarHBondContact OD2-CD 3.5Å; D62-R86 IonicContact OD2-CZ 3.7Å; D62-R86 IonicContact OD2-NE 3.29Å; D62-R86 IonicContact OD2-NH1 3.13Å; D62-R86 PolarHBondContact OD2-NH1 2.92Å; D62-R86 VanDerWaalsContact OD2-NH1 3.14Å
63	L	96.1	Very high	93.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.255	C	S	.	.			trans	-119.4	18.4	174.9	-58.2	170.7	0	0	0	110.9	C42 V50 P51 L61 N66 I68 F76 L85 R86 L87 N90	C42-L63 HydrophobicContact CB-CD2 3.95Å; V50-L63 HydrophobicContact CG1-CD1 4.21Å; V50-L63 HydrophobicContact CG2-CD1 4.15Å; P51-L63 HydrophobicContact CG-CD2 3.99Å; L61-L63 HydrophobicContact CD1-CD2 4.07Å; L61-L63 HydrophobicContact CD1-CG 4.21Å; L61-L63 HydrophobicContact CD2-CD1 4.18Å; L61-L63 HydrophobicContact CD2-CG 4.45Å; L61-L63 HydrophobicContact CG-CD1 4.28Å; L61-L63 HydrophobicContact CG-CD2 4.41Å; L61-L63 HydrophobicContact CG-CG 4.05Å; L63-N66 VanDerWaalsContact C-ND2 3.3Å; L63-N66 PolarHBondContact O-ND2 3.49Å; L63-I68 HydrophobicContact CB-CD1 4.32Å; L63-F76 HydrophobicContact CD1-CE1 3.95Å; L63-F76 HydrophobicContact CD1-CZ 4.1Å; L63-L85 HydrophobicContact CD1-CD1 4.34Å; L63-R86 WeakPolarHBondContact CA-O 3.19Å; L63-R86 WeakPolarHBondContact CB-O 3.27Å; L63-R86 PolarHBondContact N-O 2.92Å; L63-L87 HydrophobicContact CB-CD2 4.01Å; L63-L87 HydrophobicContact CD1-CD2 3.76Å; L63-N90 PolarHBondContact O-ND2 3.12Å
64	S	97.1	Very high	93.6	Very high	15 Å²	15	49.3 Å²	49.3	11%	0.105	25%	0.254	C	S	.	.			trans	-70.1	158.2	-174.4	-50.9	0	0	0	0	113.4	S43 G44 D62 N66 R86 A88	S43-S64 CarbonylContact C-O 3.45Å; S43-S64 WeakPolarHBondContact CA-O 3.21Å; S43-S64 VanDerWaalsContact CB-O 3.29Å; S43-S64 WeakPolarHBondContact CB-O 3.36Å; G44-S64 PolarHBondContact N-O 2.93Å; D62-S64 WeakPolarHBondContact OD1-CB 3.5Å; D62-S64 PolarHBondContact OD1-N 3.3Å; D62-S64 PolarHBondContact OD1-OG 3.02Å; S64-N66 VanDerWaalsContact C-N 3.34Å; S64-N66 PolarHBondContact O-N 3.04Å; S64-N66 PolarHBondContact O-ND2 3.44Å; S64-R86 WeakPolarHBondContact OG-CB 3.35Å; S64-A88 CarbonylContact C-O 3.39Å; S64-A88 WeakPolarHBondContact CA-O 3.49Å; S64-A88 WeakPolarHBondContact CB-O 3.44Å; S64-A88 PolarHBondContact OG-N 3.11Å
65	M	96.8	Very high	93.9	Very high	127 Å²	127	50.3 Å²	50.3	63%	0.626	26%	0.26	S	S	*	.	S	Bend	trans	55.3	47.5	179.4	-54.5	-58.3	-63.4	0	0	112.5	G44 A88 G89	G44-M65 VanDerWaalsContact CA-O 3.23Å; G44-M65 WeakPolarHBondContact CA-O 3.4Å; G44-M65 PolarHBondContact N-O 3.05Å; M65-A88 PolarHBondContact N-O 2.94Å; M65-G89 WeakPolarHBondContact CA-O 3.2Å; M65-G89 PolarHBondContact N-O 2.88Å
66	N	96.4	Very high	94.3	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.064	25%	0.249	C	C	.	.	S	Bend	trans	-124.7	-179.3	178.4	-79.9	-58.6	0	0	0	109.9	C42 R45 G46 L47 L63 S64 I68 G89 N90	C42-N66 PolarHBondContact O-ND2 3.36Å; R45-N66 WeakPolarHBondContact CA-OD1 3.15Å; R45-N66 PolarHBondContact N-OD1 3.44Å; R45-N66 VanDerWaalsContact N-OD1 3.08Å; G46-N66 PolarHBondContact N-OD1 3.48Å; L47-N66 HydrophobicContact CB-CB 4.25Å; L47-N66 PolarHBondContact N-OD1 3.31Å; L63-N66 VanDerWaalsContact C-ND2 3.3Å; L63-N66 PolarHBondContact O-ND2 3.49Å; S64-N66 VanDerWaalsContact C-N 3.34Å; S64-N66 PolarHBondContact O-N 3.04Å; S64-N66 PolarHBondContact O-ND2 3.44Å; N66-I68 HydrophobicContact CB-CG1 4.29Å; N66-G89 PolarHBondContact N-O 2.97Å; N66-N90 WeakPolarHBondContact CA-OD1 3.48Å; N66-N90 VanDerWaalsContact CB-OD1 3.23Å; N66-N90 WeakPolarHBondContact CB-OD1 3.5Å; N66-N90 WeakPolarHBondContact O-CA 3.39Å; N66-N90 PolarHBondContact O-OD1 3.28Å; N66-N90 VanDerWaalsContact O-OD1 3.13Å
67	N	96.1	Very high	94.4	Very high	78 Å²	78	51.3 Å²	51.3	42%	0.417	25%	0.254	S	S	.	.			trans	-110	32.8	-175.3	-144.8	125.7	0	0	0	112.2	L47 T48 T69 D91	L47-N67 CarbonylContact O-C 3.14Å; L47-N67 VanDerWaalsContact O-C 3.25Å; L47-N67 WeakPolarHBondContact O-CA 3.34Å; L47-N67 PolarHBondContact O-N 3.06Å; T48-N67 HydrophobicContact CG2-CB 4.44Å; N67-T69 PolarHBondContact O-N 3.17Å; N67-D91 PolarHBondContact ND2-OD2 3.03Å
68	I	96.3	Very high	94.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.259	C	S	.	.			trans	-76.2	122	-178	-51.4	175.8	0	0	0	109.1	L47 L63 N66 E70 L71 L87 N90 D91 L92	L47-I68 WeakPolarHBondContact O-CG1 3.34Å; L47-I68 PolarHBondContact O-N 3.29Å; L63-I68 HydrophobicContact CB-CD1 4.32Å; N66-I68 HydrophobicContact CB-CG1 4.29Å; I68-E70 WeakPolarHBondContact CG2-O 3.25Å; I68-L71 HydrophobicContact CG2-CD2 4.31Å; I68-L87 HydrophobicContact CD1-CD2 4.48Å; I68-N90 WeakPolarHBondContact CB-OD1 3.43Å; I68-N90 WeakPolarHBondContact CG1-OD1 3.46Å; I68-N90 PolarHBondContact N-OD1 3.36Å; I68-D91 CarbonylContact O-C 3.52Å; I68-D91 PolarHBondContact O-N 3.01Å; I68-D91 VanDerWaalsContact O-N 3.11Å; I68-L92 HydrophobicContact CB-CD2 4.27Å; I68-L92 HydrophobicContact CG2-CD2 3.81Å; I68-L92 WeakPolarHBondContact O-CD2 3.46Å; I68-L92 PolarHBondContact O-N 3.22Å
69	T	95.3	Very high	94.4	Very high	67 Å²	67	52.8 Å²	52.8	41%	0.411	26%	0.26	S	S	.	.			trans	-98.1	-25.3	-175	52.5	0	0	0	0	114.4	N67 D91 L92 T93	N67-T69 PolarHBondContact O-N 3.17Å; T69-D91 WeakPolarHBondContact CA-O 3.3Å; T69-D91 HydrophobicContact CG2-CB 3.9Å; T69-L92 WeakPolarHBondContact O-CA 3.38Å; T69-T93 PolarHBondContact O-N 3.42Å; T69-T93 PolarHBondContact O-OG1 2.89Å
70	E	95.4	Very high	94.3	Very high	110 Å²	110	50.9 Å²	50.9	51%	0.514	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	155.9	178.8	61	172.4	-156.3	0	0	112.3	I68 F94	I68-E70 WeakPolarHBondContact CG2-O 3.25Å; E70-F94 VanDerWaalsContact CA-O 3.3Å; E70-F94 WeakPolarHBondContact CA-O 3.42Å
71	L	95.9	Very high	94.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.2	172.3	-67.4	175.6	0	0	0	111	V50 I68 F76 L87 L92 F94 I95 H96 A99	V50-L71 HydrophobicContact CG2-CD2 4.02Å; I68-L71 HydrophobicContact CG2-CD2 4.31Å; L71-F76 HydrophobicContact CD1-CE2 4.21Å; L71-F76 HydrophobicContact CD2-CE2 4.15Å; L71-F76 HydrophobicContact CD2-CZ 4.2Å; L71-L87 HydrophobicContact CD1-CD1 3.84Å; L71-L87 HydrophobicContact CD2-CD2 4.22Å; L71-L92 HydrophobicContact CD1-CD1 4.22Å; L71-L92 HydrophobicContact CD2-CD2 4.39Å; L71-L92 HydrophobicContact CG-CD1 4.45Å; L71-L92 HydrophobicContact CG-CD2 3.9Å; L71-F94 PolarHBondContact N-O 3.42Å; L71-F94 VanDerWaalsContact N-O 3.12Å; L71-I95 HydrophobicContact CB-CG1 4.49Å; L71-I95 HydrophobicContact CB-CG2 4.23Å; L71-I95 HydrophobicContact CD1-CD1 4.12Å; L71-I95 HydrophobicContact CD1-CG1 4.05Å; L71-I95 HydrophobicContact CD1-CG2 4.16Å; L71-I95 HydrophobicContact CG-CG1 4.5Å; L71-H96 VanDerWaalsContact O-CB 3.22Å; L71-H96 WeakPolarHBondContact O-CB 3.3Å; L71-H96 PolarHBondContact O-N 3.16Å; L71-A99 HydrophobicContact CB-CB 3.95Å
72	P	94.2	Very high	94.2	Very high	68 Å²	68	54.2 Å²	54.2	44%	0.442	27%	0.272	S	S	.	.			trans	-78.7	165.9	-178.1	30.7	-33.7	0	0	0	113.1	Y74 V75 A99	P72-Y74 PolarHBondContact O-N 3.39Å; P72-V75 HydrophobicContact CG-CB 4.17Å; P72-V75 HydrophobicContact CG-CG2 4.29Å; P72-V75 WeakPolarHBondContact O-CB 3.48Å; P72-V75 WeakPolarHBondContact O-CG1 3.01Å; P72-V75 PolarHBondContact O-N 3.02Å; P72-A99 WeakPolarHBondContact O-CA 3.36Å; P72-A99 WeakPolarHBondContact O-CB 3.31Å
73	A	94.1	Very high	94.2	Very high	41 Å²	41	56.8 Å²	56.8	34%	0.339	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	135.3	-179.1	0	0	0	0	0	113.3	V75 H96 D98	A73-V75 PolarHBondContact O-N 2.91Å; A73-V75 VanDerWaalsContact O-N 3.1Å; A73-H96 WeakPolarHBondContact CB-ND1 3.4Å; A73-D98 HydrophobicContact CB-CB 4.14Å
74	Y	92.8	Very high	94.3	Very high	103 Å²	103	58.8 Å²	58.8	40%	0.404	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	16.8	174.3	-48.5	-75.7	0	0	0	116	P72 F76 K77 D98	P72-Y74 PolarHBondContact O-N 3.39Å; Y74-F76 VanDerWaalsContact C-N 3.27Å; Y74-F76 PolarHBondContact O-N 3.24Å; Y74-K77 HydrophobicContact CD1-CD 3.83Å; Y74-K77 HydrophobicContact CG-CD 4.18Å; Y74-K77 WeakPolarHBondContact O-CB 3.23Å; Y74-K77 PolarHBondContact O-N 3.09Å; Y74-D98 WeakPolarHBondContact CA-O 3.01Å; Y74-D98 HydrophobicContact CD1-CB 4Å; Y74-D98 HydrophobicContact CD2-CB 4.22Å; Y74-D98 HydrophobicContact CE1-CB 3.66Å; Y74-D98 HydrophobicContact CE2-CB 3.85Å; Y74-D98 HydrophobicContact CG-CB 4.28Å; Y74-D98 PolarHBondContact N-O 2.82Å; Y74-D98 PolarHBondContact OH-OD1 3.33Å; Y74-D98 PolarHBondContact OH-OD2 2.9Å
75	V	93.4	Very high	94.3	Very high	40 Å²	40	58.1 Å²	58.1	24%	0.242	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.8	-172.9	68.6	0	0	0	0	113.3	V50 P72 A73 A99	V50-V75 HydrophobicContact CB-CG2 3.75Å; V50-V75 HydrophobicContact CG1-CG2 4.2Å; V50-V75 HydrophobicContact CG2-CG2 3.74Å; P72-V75 HydrophobicContact CG-CB 4.17Å; P72-V75 HydrophobicContact CG-CG2 4.29Å; P72-V75 WeakPolarHBondContact O-CB 3.48Å; P72-V75 WeakPolarHBondContact O-CG1 3.01Å; P72-V75 PolarHBondContact O-N 3.02Å; A73-V75 PolarHBondContact O-N 2.91Å; A73-V75 VanDerWaalsContact O-N 3.1Å; V75-A99 HydrophobicContact CG1-CB 4.44Å
76	F	93.4	Very high	94.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	6	177.9	-58.8	-70.4	0	0	0	115.1	V50 L61 L63 L71 Y74 K78 F79 L85 L87 L100 L103	V50-F76 HydrophobicContact CG1-CE1 3.91Å; V50-F76 HydrophobicContact CG2-CE1 4.11Å; V50-F76 HydrophobicContact CG2-CZ 3.92Å; L61-F76 HydrophobicContact CD2-CD1 4.23Å; L61-F76 HydrophobicContact CD2-CE1 3.96Å; L63-F76 HydrophobicContact CD1-CE1 3.95Å; L63-F76 HydrophobicContact CD1-CZ 4.1Å; L71-F76 HydrophobicContact CD1-CE2 4.21Å; L71-F76 HydrophobicContact CD2-CE2 4.15Å; L71-F76 HydrophobicContact CD2-CZ 4.2Å; Y74-F76 VanDerWaalsContact C-N 3.27Å; Y74-F76 PolarHBondContact O-N 3.24Å; F76-K78 PolarHBondContact O-N 3.3Å; F76-F79 HydrophobicContact CB-CD2 4.13Å; F76-F79 HydrophobicContact CD1-CD2 4.06Å; F76-F79 HydrophobicContact CD1-CE2 4.19Å; F76-F79 WeakPolarHBondContact O-CD2 3.5Å; F76-F79 PolarHBondContact O-N 3.32Å; F76-L85 HydrophobicContact CD1-CD2 4.41Å; F76-L85 HydrophobicContact CD2-CD2 4.08Å; F76-L85 HydrophobicContact CE1-CD1 3.89Å; F76-L85 HydrophobicContact CE1-CD2 4.17Å; F76-L85 HydrophobicContact CE2-CD2 3.82Å; F76-L85 HydrophobicContact CG-CD2 4.37Å; F76-L85 HydrophobicContact CZ-CD1 4.04Å; F76-L85 HydrophobicContact CZ-CD2 3.88Å; F76-L87 HydrophobicContact CZ-CD1 4.39Å; F76-L87 HydrophobicContact CZ-CD2 4.46Å; F76-L100 HydrophobicContact CD2-CD2 3.84Å; F76-L100 HydrophobicContact CE2-CD2 3.97Å; F76-L103 HydrophobicContact CB-CD1 3.89Å; F76-L103 HydrophobicContact CB-CD2 3.81Å; F76-L103 HydrophobicContact CB-CG 3.97Å; F76-L103 HydrophobicContact CD2-CD1 4.27Å; F76-L103 HydrophobicContact CG-CD1 4.23Å
77	K	90.3	Very high	94.4	Very high	127 Å²	127	54.8 Å²	54.8	55%	0.552	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-11.9	-174.1	-174.1	169.9	-178.1	170.8	0	115.1	Y74 S101	Y74-K77 HydrophobicContact CD1-CD 3.83Å; Y74-K77 HydrophobicContact CG-CD 4.18Å; Y74-K77 WeakPolarHBondContact O-CB 3.23Å; Y74-K77 PolarHBondContact O-N 3.09Å; K77-S101 WeakPolarHBondContact CA-O 3.41Å
78	K	88.2	Confident	94.5	Very high	158 Å²	158	51.6 Å²	51.6	69%	0.687	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.9	176.4	-66.5	-175.3	179.4	179	0	114.4	F76 P80	F76-K78 PolarHBondContact O-N 3.3Å; K78-P80 WeakPolarHBondContact O-CD 3.47Å
79	F	91.6	Very high	94.5	Very high	12 Å²	12	52.1 Å²	52.1	5%	0.053	26%	0.258	C	S	.	.			trans	-117.4	64.5	-173.8	-45.7	-67.2	0	0	0	112.1	L54 S55 F76 Y81 L82 L103	L54-F79 HydrophobicContact CB-CE1 3.75Å; L54-F79 HydrophobicContact CB-CZ 3.95Å; L54-F79 HydrophobicContact CD1-CZ 4.24Å; S55-F79 VanDerWaalsContact O-CD1 3.29Å; S55-F79 WeakPolarHBondContact O-CD1 3.26Å; S55-F79 WeakPolarHBondContact O-CE1 3.42Å; F76-F79 HydrophobicContact CB-CD2 4.13Å; F76-F79 HydrophobicContact CD1-CD2 4.06Å; F76-F79 HydrophobicContact CD1-CE2 4.19Å; F76-F79 WeakPolarHBondContact O-CD2 3.5Å; F76-F79 PolarHBondContact O-N 3.32Å; F79-Y81 PolarHBondContact O-N 3.04Å; F79-L82 HydrophobicContact CB-CB 4.02Å; F79-L82 HydrophobicContact CB-CD2 4.47Å; F79-L82 WeakPolarHBondContact O-CB 3.27Å; F79-L82 PolarHBondContact O-N 3.38Å; F79-L103 HydrophobicContact CB-CD2 4.46Å; F79-L103 WeakPolarHBondContact O-CD2 3.49Å
80	P	90.9	Very high	94.6	Very high	53 Å²	53	49.2 Å²	49.2	34%	0.344	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17	-175.9	29.9	-36.5	0	0	0	113.8	K78	K78-P80 WeakPolarHBondContact O-CD 3.47Å
81	Y	92.8	Very high	94.6	Very high	112 Å²	112	47 Å²	47	44%	0.439	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	4.9	179.4	-58.6	-71.4	0	0	0	113.8	F57 Y59 F79 E83	F57-Y81 HydrophobicContact CD1-CD2 4.2Å; F57-Y81 HydrophobicContact CD1-CE2 4.03Å; F57-Y81 HydrophobicContact CE1-CE2 4.27Å; Y59-Y81 WeakPolarHBondContact CA-O 3.41Å; F79-Y81 PolarHBondContact O-N 3.04Å; Y81-E83 PolarHBondContact O-N 3.46Å
82	L	95.2	Very high	94.6	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.			trans	-69.2	117	-176.6	-165.8	72.4	0	0	0	110.8	T58 L61 F79 L85 L103 Q105 L106	T58-L82 HydrophobicContact CG2-CD1 4.15Å; T58-L82 WeakPolarHBondContact O-CD1 3.48Å; L61-L82 HydrophobicContact CB-CD1 3.66Å; L61-L82 HydrophobicContact CB-CD2 4.47Å; F79-L82 HydrophobicContact CB-CB 4.02Å; F79-L82 HydrophobicContact CB-CD2 4.47Å; F79-L82 WeakPolarHBondContact O-CB 3.27Å; F79-L82 PolarHBondContact O-N 3.38Å; L82-L85 HydrophobicContact CD2-CB 3.9Å; L82-L85 HydrophobicContact CD2-CD1 4.25Å; L82-L85 HydrophobicContact CD2-CD2 4.32Å; L82-L85 HydrophobicContact CD2-CG 4.38Å; L82-L103 HydrophobicContact CB-CD2 3.92Å; L82-L103 HydrophobicContact CD2-CD1 4.42Å; L82-L103 HydrophobicContact CD2-CD2 3.75Å; L82-L103 HydrophobicContact CG-CD2 4.47Å; L82-Q105 CarbonylContact O-C 3.45Å; L82-Q105 VanDerWaalsContact O-C 3.3Å; L82-L106 HydrophobicContact CD2-CD1 4.24Å; L82-L106 HydrophobicContact CG-CD1 4.16Å; L82-L106 WeakPolarHBondContact O-CA 3.43Å; L82-L106 PolarHBondContact O-N 3.14Å; L82-L106 VanDerWaalsContact O-N 3.11Å
83	E	96.4	Very high	94.7	Very high	68 Å²	68	47.9 Å²	47.9	32%	0.318	24%	0.236	S	C	.	.			trans	-97.5	-32.3	178.1	-57.3	-155.8	147	0	0	112.7	Y59 Y81 K107 V108	Y59-E83 PolarHBondContact O-N 3.17Å; Y81-E83 PolarHBondContact O-N 3.46Å; E83-K107 HydrophobicContact CB-CD 4.39Å; E83-K107 VanDerWaalsContact CD-CE 3.43Å; E83-K107 PolarHBondContact O-N 3.49Å; E83-K107 WeakPolarHBondContact OE1-CE 3.33Å; E83-K107 IonicContact OE1-NZ 3.86Å; E83-K107 PolarHBondContact OE1-NZ 3.32Å; E83-K107 WeakPolarHBondContact OE2-CE 3.34Å; E83-K107 IonicContact OE2-NZ 2.83Å; E83-K107 PolarHBondContact OE2-NZ 2.67Å; E83-V108 PolarHBondContact O-N 3.34Å
84	E	97.6	Very high	94.7	Very high	42 Å²	42	51 Å²	51	20%	0.196	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	126.7	178.3	178.5	165.3	179.5	0	0	111.7	Y59 Y60 L61 R86 V108 M110	Y59-E84 PolarHBondContact O-N 3.37Å; Y59-E84 VanDerWaalsContact O-N 3.16Å; Y60-E84 HydrophobicContact CD2-CB 4.02Å; Y60-E84 HydrophobicContact CD2-CG 3.95Å; Y60-E84 HydrophobicContact CE2-CG 4.12Å; L61-E84 PolarHBondContact N-O 2.96Å; E84-R86 HydrophobicContact CG-CG 4.31Å; E84-R86 IonicContact OE1-CZ 2.98Å; E84-R86 IonicContact OE1-NE 3.29Å; E84-R86 PolarHBondContact OE1-NE 3.45Å; E84-R86 IonicContact OE1-NH2 2.88Å; E84-R86 PolarHBondContact OE1-NH2 2.93Å; E84-V108 WeakPolarHBondContact CA-O 3.27Å; E84-V108 HydrophobicContact CB-CB 4.1Å; E84-V108 HydrophobicContact CG-CB 3.9Å; E84-V108 HydrophobicContact CG-CG1 4.03Å; E84-M110 WeakPolarHBondContact OE1-CE 3.39Å
85	L	97.6	Very high	94.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.4	176.6	176.6	56.7	0	0	0	109.9	L61 L63 F76 L82 L87 L100 L103 L106 V108 L109 M110	L61-L85 HydrophobicContact CB-CD1 4.19Å; L61-L85 HydrophobicContact CD2-CD1 4.07Å; L61-L85 HydrophobicContact CG-CD1 4.11Å; L63-L85 HydrophobicContact CD1-CD1 4.34Å; F76-L85 HydrophobicContact CD1-CD2 4.41Å; F76-L85 HydrophobicContact CD2-CD2 4.08Å; F76-L85 HydrophobicContact CE1-CD1 3.89Å; F76-L85 HydrophobicContact CE1-CD2 4.17Å; F76-L85 HydrophobicContact CE2-CD2 3.82Å; F76-L85 HydrophobicContact CG-CD2 4.37Å; F76-L85 HydrophobicContact CZ-CD1 4.04Å; F76-L85 HydrophobicContact CZ-CD2 3.88Å; L82-L85 HydrophobicContact CD2-CB 3.9Å; L82-L85 HydrophobicContact CD2-CD1 4.25Å; L82-L85 HydrophobicContact CD2-CD2 4.32Å; L82-L85 HydrophobicContact CD2-CG 4.38Å; L85-L87 HydrophobicContact CD1-CD1 4.35Å; L85-L87 HydrophobicContact CD1-CG 4.33Å; L85-L87 HydrophobicContact CD2-CD1 3.99Å; L85-L87 HydrophobicContact CG-CD1 3.98Å; L85-L87 HydrophobicContact CG-CG 4.36Å; L85-L100 HydrophobicContact CD2-CD2 4.19Å; L85-L103 HydrophobicContact CD2-CD1 3.97Å; L85-L106 HydrophobicContact CB-CD1 3.77Å; L85-V108 PolarHBondContact N-O 2.85Å; L85-L109 HydrophobicContact CB-CD1 4.18Å; L85-L109 HydrophobicContact CD2-CD1 4.02Å; L85-L109 HydrophobicContact CG-CD1 4.1Å; L85-M110 PolarHBondContact O-N 3.17Å
86	R	98.2	Very high	95	Very high	70 Å²	70	47.6 Å²	47.6	26%	0.264	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.9	176	-55.5	173.2	174.8	174.9	9.8	111.8	Y60 L61 D62 L63 S64 E84 M110	Y60-R86 PolarHBondContact OH-NH1 3.39Å; L61-R86 PolarHBondContact O-N 3.4Å; D62-R86 WeakPolarHBondContact OD2-CD 3.5Å; D62-R86 IonicContact OD2-CZ 3.7Å; D62-R86 IonicContact OD2-NE 3.29Å; D62-R86 IonicContact OD2-NH1 3.13Å; D62-R86 PolarHBondContact OD2-NH1 2.92Å; D62-R86 VanDerWaalsContact OD2-NH1 3.14Å; L63-R86 WeakPolarHBondContact CA-O 3.19Å; L63-R86 WeakPolarHBondContact CB-O 3.27Å; L63-R86 PolarHBondContact N-O 2.92Å; S64-R86 WeakPolarHBondContact OG-CB 3.35Å; E84-R86 HydrophobicContact CG-CG 4.31Å; E84-R86 IonicContact OE1-CZ 2.98Å; E84-R86 IonicContact OE1-NE 3.29Å; E84-R86 PolarHBondContact OE1-NE 3.45Å; E84-R86 IonicContact OE1-NH2 2.88Å; E84-R86 PolarHBondContact OE1-NH2 2.93Å; R86-M110 HydrophobicContact CB-CB 4.24Å; R86-M110 HydrophobicContact CG-CB 4.08Å; R86-M110 HydrophobicContact CG-CE 4.46Å; R86-M110 HydrophobicContact CG-CG 4.25Å; R86-M110 HydrophobicContact CG-SD 4.01Å
87	L	97.5	Very high	95	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.			trans	-135	21.9	-178.2	-74.6	155	0	0	0	109.9	L63 I68 L71 F76 L85 N90 L92 L109 M110 L111 N114	L63-L87 HydrophobicContact CB-CD2 4.01Å; L63-L87 HydrophobicContact CD1-CD2 3.76Å; I68-L87 HydrophobicContact CD1-CD2 4.48Å; L71-L87 HydrophobicContact CD1-CD1 3.84Å; L71-L87 HydrophobicContact CD2-CD2 4.22Å; F76-L87 HydrophobicContact CZ-CD1 4.39Å; F76-L87 HydrophobicContact CZ-CD2 4.46Å; L85-L87 HydrophobicContact CD1-CD1 4.35Å; L85-L87 HydrophobicContact CD1-CG 4.33Å; L85-L87 HydrophobicContact CD2-CD1 3.99Å; L85-L87 HydrophobicContact CG-CD1 3.98Å; L85-L87 HydrophobicContact CG-CG 4.36Å; L87-N90 PolarHBondContact O-ND2 2.85Å; L87-N90 VanDerWaalsContact O-ND2 3.08Å; L87-L92 HydrophobicContact CB-CD1 4.08Å; L87-L92 HydrophobicContact CD2-CD1 4.39Å; L87-L109 HydrophobicContact CD1-CD1 4.49Å; L87-M110 WeakPolarHBondContact CA-O 3.45Å; L87-M110 PolarHBondContact N-O 3.44Å; L87-L111 HydrophobicContact CB-CD2 3.93Å; L87-L111 HydrophobicContact CD1-CD2 3.79Å; L87-N114 PolarHBondContact O-ND2 2.69Å
88	A	97.4	Very high	95.2	Very high	11 Å²	11	46.8 Å²	46.8	9%	0.091	23%	0.232	C	C	.	.			trans	-74.3	144.7	-170.1	0	0	0	0	0	112.2	S64 M65 Q112	S64-A88 CarbonylContact C-O 3.39Å; S64-A88 WeakPolarHBondContact CA-O 3.49Å; S64-A88 WeakPolarHBondContact CB-O 3.44Å; S64-A88 PolarHBondContact OG-N 3.11Å; M65-A88 PolarHBondContact N-O 2.94Å; A88-Q112 CarbonylContact C-O 3.25Å; A88-Q112 WeakPolarHBondContact CA-O 3.49Å; A88-Q112 HydrophobicContact CB-CG 3.93Å; A88-Q112 WeakPolarHBondContact CB-O 3.33Å
89	G	96.3	Very high	95.6	Very high	11 Å²	11	39.3 Å²	39.3	11%	0.113	20%	0.2	C	C	.	.	S	Bend	trans	64.1	54.3	-177.6	0	0	0	0	0	111.9	M65 N66 Q112 N113	M65-G89 WeakPolarHBondContact CA-O 3.2Å; M65-G89 PolarHBondContact N-O 2.88Å; N66-G89 PolarHBondContact N-O 2.97Å; G89-Q112 PolarHBondContact N-O 3.31Å; G89-N113 WeakPolarHBondContact CA-O 3.44Å; G89-N113 PolarHBondContact N-O 2.92Å
90	N	96.9	Very high	95.7	Very high	6 Å²	6	39 Å²	39	3%	0.032	20%	0.199	C	C	.	.	S	Bend	trans	-127.6	174.5	172.5	-83.5	-92.3	0	0	0	109.1	L63 N66 I68 L87 L92 N113 N114	L63-N90 PolarHBondContact O-ND2 3.12Å; N66-N90 WeakPolarHBondContact CA-OD1 3.48Å; N66-N90 VanDerWaalsContact CB-OD1 3.23Å; N66-N90 WeakPolarHBondContact CB-OD1 3.5Å; N66-N90 WeakPolarHBondContact O-CA 3.39Å; N66-N90 PolarHBondContact O-OD1 3.28Å; N66-N90 VanDerWaalsContact O-OD1 3.13Å; I68-N90 WeakPolarHBondContact CB-OD1 3.43Å; I68-N90 WeakPolarHBondContact CG1-OD1 3.46Å; I68-N90 PolarHBondContact N-OD1 3.36Å; L87-N90 PolarHBondContact O-ND2 2.85Å; L87-N90 VanDerWaalsContact O-ND2 3.08Å; N90-L92 VanDerWaalsContact C-N 3.3Å; N90-L92 HydrophobicContact CB-CG 4.11Å; N90-L92 PolarHBondContact O-N 3.49Å; N90-N113 PolarHBondContact N-O 2.92Å; N90-N114 WeakPolarHBondContact CA-OD1 3.37Å; N90-N114 VanDerWaalsContact CB-OD1 3.24Å; N90-N114 WeakPolarHBondContact CB-OD1 3.28Å; N90-N114 WeakPolarHBondContact O-CA 3.29Å; N90-N114 PolarHBondContact O-OD1 3.02Å
91	D	95.6	Very high	95.7	Very high	64 Å²	64	38 Å²	38	34%	0.342	19%	0.193	S	C	.	.			trans	-92.9	28.8	177.7	-73.5	-44.5	0	0	0	112.2	N67 I68 T69 T93	N67-D91 PolarHBondContact ND2-OD2 3.03Å; I68-D91 CarbonylContact O-C 3.52Å; I68-D91 PolarHBondContact O-N 3.01Å; I68-D91 VanDerWaalsContact O-N 3.11Å; T69-D91 WeakPolarHBondContact CA-O 3.3Å; T69-D91 HydrophobicContact CG2-CB 3.9Å; D91-T93 PolarHBondContact O-N 3.16Å
92	L	97.1	Very high	95.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.			trans	-64.2	110	-171.2	-65.6	175	0	0	0	111.5	I68 T69 L71 L87 N90 L111 N114 Q115 L116	I68-L92 HydrophobicContact CB-CD2 4.27Å; I68-L92 HydrophobicContact CG2-CD2 3.81Å; I68-L92 WeakPolarHBondContact O-CD2 3.46Å; I68-L92 PolarHBondContact O-N 3.22Å; T69-L92 WeakPolarHBondContact O-CA 3.38Å; L71-L92 HydrophobicContact CD1-CD1 4.22Å; L71-L92 HydrophobicContact CD2-CD2 4.39Å; L71-L92 HydrophobicContact CG-CD1 4.45Å; L71-L92 HydrophobicContact CG-CD2 3.9Å; L87-L92 HydrophobicContact CB-CD1 4.08Å; L87-L92 HydrophobicContact CD2-CD1 4.39Å; N90-L92 VanDerWaalsContact C-N 3.3Å; N90-L92 HydrophobicContact CB-CG 4.11Å; N90-L92 PolarHBondContact O-N 3.49Å; L92-L111 HydrophobicContact CD1-CD2 3.85Å; L92-N114 HydrophobicContact CB-CB 4.28Å; L92-N114 WeakPolarHBondContact CB-OD1 3.42Å; L92-N114 VanDerWaalsContact CG-OD1 3.26Å; L92-N114 WeakPolarHBondContact CG-OD1 3.18Å; L92-N114 PolarHBondContact N-OD1 3.32Å; L92-N114 VanDerWaalsContact N-OD1 3.08Å; L92-Q115 CarbonylContact O-C 3.23Å; L92-Q115 WeakPolarHBondContact O-CA 3.43Å; L92-Q115 WeakPolarHBondContact O-CB 3.13Å; L92-Q115 PolarHBondContact O-N 2.79Å; L92-L116 HydrophobicContact CB-CD2 4.36Å; L92-L116 WeakPolarHBondContact O-CD2 3.42Å; L92-L116 PolarHBondContact O-N 3.03Å
93	T	95	Very high	95.4	Very high	87 Å²	87	33.6 Å²	33.6	53%	0.534	18%	0.181	S	C	.	.			trans	-100	-26.1	174.8	54.4	0	0	0	0	112.4	T69 D91 Q115	T69-T93 PolarHBondContact O-N 3.42Å; T69-T93 PolarHBondContact O-OG1 2.89Å; D91-T93 PolarHBondContact O-N 3.16Å; T93-Q115 HydrophobicContact CG2-CB 3.61Å; T93-Q115 HydrophobicContact CG2-CG 4.43Å
94	F	94.3	Very high	95	Very high	106 Å²	106	36.2 Å²	36.2	47%	0.465	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	140.4	-176.4	-179.6	-109.7	0	0	0	112.3	E70 L71 H96	E70-F94 VanDerWaalsContact CA-O 3.3Å; E70-F94 WeakPolarHBondContact CA-O 3.42Å; L71-F94 PolarHBondContact N-O 3.42Å; L71-F94 VanDerWaalsContact N-O 3.12Å; F94-H96 HydrophobicContact CE1-CB 4.03Å; F94-H96 HydrophobicContact CZ-CB 4.47Å
95	I	96	Very high	94.9	Very high	12 Å²	12	38.1 Å²	38.1	6%	0.062	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	116.2	174.9	-59.1	-177.9	0	0	0	106.8	L71 A99 L111 L116 P120 A123	L71-I95 HydrophobicContact CB-CG1 4.49Å; L71-I95 HydrophobicContact CB-CG2 4.23Å; L71-I95 HydrophobicContact CD1-CD1 4.12Å; L71-I95 HydrophobicContact CD1-CG1 4.05Å; L71-I95 HydrophobicContact CD1-CG2 4.16Å; L71-I95 HydrophobicContact CG-CG1 4.5Å; I95-A99 HydrophobicContact CG2-CB 4.01Å; I95-L111 HydrophobicContact CD1-CD1 4.1Å; I95-L111 HydrophobicContact CD1-CD2 3.85Å; I95-L116 HydrophobicContact CD1-CD1 4.41Å; I95-L116 HydrophobicContact CD1-CD2 4.21Å; I95-L116 HydrophobicContact CG1-CD2 4.26Å; I95-P120 HydrophobicContact CB-CB 4.32Å; I95-P120 HydrophobicContact CD1-CG 4.3Å; I95-A123 HydrophobicContact CG2-CB 3.85Å
96	H	96.1	Very high	94.8	Very high	61 Å²	61	38.1 Å²	38.1	28%	0.282	20%	0.202	S	C	.	.			trans	-63.7	141.4	-179.9	-173.6	-84.6	0	0	0	110.5	L71 A73 F94 D98 A99	L71-H96 VanDerWaalsContact O-CB 3.22Å; L71-H96 WeakPolarHBondContact O-CB 3.3Å; L71-H96 PolarHBondContact O-N 3.16Å; A73-H96 WeakPolarHBondContact CB-ND1 3.4Å; F94-H96 HydrophobicContact CE1-CB 4.03Å; F94-H96 HydrophobicContact CZ-CB 4.47Å; H96-D98 VanDerWaalsContact C-N 3.27Å; H96-D98 IonicContact CE1-OD2 3.76Å; H96-D98 PolarHBondContact ND1-N 3.45Å; H96-D98 VanDerWaalsContact ND1-N 3.14Å; H96-D98 PolarHBondContact O-N 3.25Å; H96-D98 VanDerWaalsContact O-N 3.15Å; H96-A99 HydrophobicContact CB-CB 4.3Å; H96-A99 WeakPolarHBondContact O-CB 3.39Å; H96-A99 PolarHBondContact O-N 3.08Å
97	P	94.1	Very high	94.8	Very high	59 Å²	59	38.3 Å²	38.3	38%	0.383	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-44.3	179.9	-32.4	37.1	0	0	0	114.4	A99 A122 A123	P97-A99 VanDerWaalsContact C-N 3.34Å; P97-A99 PolarHBondContact O-N 3.47Å; P97-A122 HydrophobicContact CB-CB 3.85Å; P97-A122 HydrophobicContact CG-CB 3.99Å; P97-A123 WeakPolarHBondContact O-CA 3.47Å
98	D	95.1	Very high	94.9	Very high	51 Å²	51	39.7 Å²	39.7	27%	0.273	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	1.6	177.9	-70.7	-41.7	0	0	0	115.6	A73 Y74 H96 L100 S101	A73-D98 HydrophobicContact CB-CB 4.14Å; Y74-D98 WeakPolarHBondContact CA-O 3.01Å; Y74-D98 HydrophobicContact CD1-CB 4Å; Y74-D98 HydrophobicContact CD2-CB 4.22Å; Y74-D98 HydrophobicContact CE1-CB 3.66Å; Y74-D98 HydrophobicContact CE2-CB 3.85Å; Y74-D98 HydrophobicContact CG-CB 4.28Å; Y74-D98 PolarHBondContact N-O 2.82Å; Y74-D98 PolarHBondContact OH-OD1 3.33Å; Y74-D98 PolarHBondContact OH-OD2 2.9Å; H96-D98 VanDerWaalsContact C-N 3.27Å; H96-D98 IonicContact CE1-OD2 3.76Å; H96-D98 PolarHBondContact ND1-N 3.45Å; H96-D98 VanDerWaalsContact ND1-N 3.14Å; H96-D98 PolarHBondContact O-N 3.25Å; H96-D98 VanDerWaalsContact O-N 3.15Å; D98-L100 PolarHBondContact O-N 2.9Å; D98-S101 WeakPolarHBondContact O-CB 3.48Å; D98-S101 PolarHBondContact O-N 2.95Å
99	A	95.1	Very high	94.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-43.1	-171.5	0	0	0	0	0	113.3	L71 P72 V75 I95 H96 P97 S101	L71-A99 HydrophobicContact CB-CB 3.95Å; P72-A99 WeakPolarHBondContact O-CA 3.36Å; P72-A99 WeakPolarHBondContact O-CB 3.31Å; V75-A99 HydrophobicContact CG1-CB 4.44Å; I95-A99 HydrophobicContact CG2-CB 4.01Å; H96-A99 HydrophobicContact CB-CB 4.3Å; H96-A99 WeakPolarHBondContact O-CB 3.39Å; H96-A99 PolarHBondContact O-N 3.08Å; P97-A99 VanDerWaalsContact C-N 3.34Å; P97-A99 PolarHBondContact O-N 3.47Å; A99-S101 VanDerWaalsContact C-N 3.28Å; A99-S101 PolarHBondContact O-N 3.22Å
100	L	94.8	Very high	95	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.037	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	9.7	-179.6	-53.5	179.9	0	0	0	112.7	F76 L85 D98 G102 L103 L109 A123 L124 L127	F76-L100 HydrophobicContact CD2-CD2 3.84Å; F76-L100 HydrophobicContact CE2-CD2 3.97Å; L85-L100 HydrophobicContact CD2-CD2 4.19Å; D98-L100 PolarHBondContact O-N 2.9Å; L100-G102 PolarHBondContact O-N 3Å; L100-L103 HydrophobicContact CB-CD1 4.17Å; L100-L103 HydrophobicContact CD2-CD1 4.05Å; L100-L103 WeakPolarHBondContact O-CB 3.25Å; L100-L103 WeakPolarHBondContact O-CG 3.22Å; L100-L103 PolarHBondContact O-N 3.48Å; L100-L109 HydrophobicContact CD1-CD2 3.85Å; L100-A123 HydrophobicContact CD1-CB 4.22Å; L100-A123 HydrophobicContact CG-CB 4.43Å; L100-L124 HydrophobicContact CD1-CD2 4.34Å; L100-L127 HydrophobicContact CB-CD2 4.36Å; L100-L127 HydrophobicContact CD1-CD1 3.93Å
101	S	91.4	Very high	95.1	Very high	32 Å²	32	39.9 Å²	39.9	22%	0.224	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	124.8	-176.3	-169.9	0	0	0	0	112	K77 D98 A99	K77-S101 WeakPolarHBondContact CA-O 3.41Å; D98-S101 WeakPolarHBondContact O-CB 3.48Å; D98-S101 PolarHBondContact O-N 2.95Å; A99-S101 VanDerWaalsContact C-N 3.28Å; A99-S101 PolarHBondContact O-N 3.22Å
102	G	86.5	Confident	95.2	Very high	16 Å²	16	37.9 Å²	37.9	17%	0.165	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.6	-10.5	-175.2	0	0	0	0	0	114.8	L100 H104	L100-G102 PolarHBondContact O-N 3Å; G102-H104 PolarHBondContact O-CD2 3.44Å; G102-H104 VanDerWaalsContact O-CD2 3.23Å; G102-H104 PolarHBondContact O-N 3.42Å
103	L	93.9	Very high	95.2	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	22%	0.221	C	C	.	.			trans	-79.2	57.3	-178.4	-64.4	-174.4	0	0	0	113.1	F76 F79 L82 L85 L100 Q105 L106 L127	F76-L103 HydrophobicContact CB-CD1 3.89Å; F76-L103 HydrophobicContact CB-CD2 3.81Å; F76-L103 HydrophobicContact CB-CG 3.97Å; F76-L103 HydrophobicContact CD2-CD1 4.27Å; F76-L103 HydrophobicContact CG-CD1 4.23Å; F79-L103 HydrophobicContact CB-CD2 4.46Å; F79-L103 WeakPolarHBondContact O-CD2 3.49Å; L82-L103 HydrophobicContact CB-CD2 3.92Å; L82-L103 HydrophobicContact CD2-CD1 4.42Å; L82-L103 HydrophobicContact CD2-CD2 3.75Å; L82-L103 HydrophobicContact CG-CD2 4.47Å; L85-L103 HydrophobicContact CD2-CD1 3.97Å; L100-L103 HydrophobicContact CB-CD1 4.17Å; L100-L103 HydrophobicContact CD2-CD1 4.05Å; L100-L103 WeakPolarHBondContact O-CB 3.25Å; L100-L103 WeakPolarHBondContact O-CG 3.22Å; L100-L103 PolarHBondContact O-N 3.48Å; L103-Q105 VanDerWaalsContact C-N 3.31Å; L103-Q105 PolarHBondContact O-N 2.89Å; L103-L106 HydrophobicContact CB-CB 4.15Å; L103-L106 HydrophobicContact CB-CD2 4.43Å; L103-L106 HydrophobicContact CD1-CD2 4.09Å; L103-L106 WeakPolarHBondContact O-CB 3.06Å; L103-L106 PolarHBondContact O-N 3.13Å; L103-L127 HydrophobicContact CB-CD2 3.96Å
104	H	89.1	Confident	95.3	Very high	123 Å²	123	38.2 Å²	38.2	57%	0.569	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.2	-171.2	-60.9	-63.4	0	0	0	114.9	G102 S129	G102-H104 PolarHBondContact O-CD2 3.44Å; G102-H104 VanDerWaalsContact O-CD2 3.23Å; G102-H104 PolarHBondContact O-N 3.42Å; H104-S129 PolarHBondContact O-OG 2.81Å; H104-S129 VanDerWaalsContact O-OG 3.05Å
105	Q	94.3	Very high	95.5	Very high	82 Å²	82	36.4 Å²	36.4	38%	0.383	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	3.3	179.4	-63.6	-168.2	-18.2	0	0	113.6	L82 L103 K107	L82-Q105 CarbonylContact O-C 3.45Å; L82-Q105 VanDerWaalsContact O-C 3.3Å; L103-Q105 VanDerWaalsContact C-N 3.31Å; L103-Q105 PolarHBondContact O-N 2.89Å; Q105-K107 PolarHBondContact O-N 3.12Å
106	L	97.1	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.			trans	-66.1	118.5	-173.5	-164.7	74.9	0	0	0	111.4	L82 L85 L103 L109 L127 S129 L130	L82-L106 HydrophobicContact CD2-CD1 4.24Å; L82-L106 HydrophobicContact CG-CD1 4.16Å; L82-L106 WeakPolarHBondContact O-CA 3.43Å; L82-L106 PolarHBondContact O-N 3.14Å; L82-L106 VanDerWaalsContact O-N 3.11Å; L85-L106 HydrophobicContact CB-CD1 3.77Å; L103-L106 HydrophobicContact CB-CB 4.15Å; L103-L106 HydrophobicContact CB-CD2 4.43Å; L103-L106 HydrophobicContact CD1-CD2 4.09Å; L103-L106 WeakPolarHBondContact O-CB 3.06Å; L103-L106 PolarHBondContact O-N 3.13Å; L106-L109 HydrophobicContact CD2-CB 4.11Å; L106-L109 HydrophobicContact CD2-CD1 4.44Å; L106-L109 HydrophobicContact CD2-CD2 4.48Å; L106-L127 HydrophobicContact CD2-CD1 4.3Å; L106-L127 HydrophobicContact CD2-CD2 4.3Å; L106-S129 CarbonylContact O-C 3.6Å; L106-L130 HydrophobicContact CD2-CD1 4.06Å; L106-L130 HydrophobicContact CG-CD1 4.06Å; L106-L130 WeakPolarHBondContact O-CA 3.37Å; L106-L130 PolarHBondContact O-N 3.35Å; L106-L130 VanDerWaalsContact O-N 3.13Å
107	K	97.8	Very high	95.6	Very high	73 Å²	73	40 Å²	40	32%	0.317	20%	0.204	S	C	.	.			trans	-100.6	-33.3	177.8	-61.2	171.5	-167.2	166	0	111.7	E83 Q105 Q131 S132	E83-K107 HydrophobicContact CB-CD 4.39Å; E83-K107 VanDerWaalsContact CD-CE 3.43Å; E83-K107 PolarHBondContact O-N 3.49Å; E83-K107 WeakPolarHBondContact OE1-CE 3.33Å; E83-K107 IonicContact OE1-NZ 3.86Å; E83-K107 PolarHBondContact OE1-NZ 3.32Å; E83-K107 WeakPolarHBondContact OE2-CE 3.34Å; E83-K107 IonicContact OE2-NZ 2.83Å; E83-K107 PolarHBondContact OE2-NZ 2.67Å; Q105-K107 PolarHBondContact O-N 3.12Å; K107-Q131 PolarHBondContact O-N 3.13Å; K107-S132 PolarHBondContact O-N 2.97Å
108	V	98.4	Very high	95.7	Very high	30 Å²	30	39.8 Å²	39.8	18%	0.182	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.1	-174.5	-175.4	0	0	0	0	110.5	E83 E84 L85 M110 S132	E83-V108 PolarHBondContact O-N 3.34Å; E84-V108 WeakPolarHBondContact CA-O 3.27Å; E84-V108 HydrophobicContact CB-CB 4.1Å; E84-V108 HydrophobicContact CG-CB 3.9Å; E84-V108 HydrophobicContact CG-CG1 4.03Å; L85-V108 PolarHBondContact N-O 2.85Å; V108-M110 HydrophobicContact CG1-CE 3.77Å; V108-M110 HydrophobicContact CG1-CG 4.17Å; V108-S132 WeakPolarHBondContact CA-O 3.48Å
109	L	98.3	Very high	95.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	119.1	173.4	179.5	55.8	0	0	0	109.8	L85 L87 L100 L106 L111 L124 L127 L130 S132 L133 R134	L85-L109 HydrophobicContact CB-CD1 4.18Å; L85-L109 HydrophobicContact CD2-CD1 4.02Å; L85-L109 HydrophobicContact CG-CD1 4.1Å; L87-L109 HydrophobicContact CD1-CD1 4.49Å; L100-L109 HydrophobicContact CD1-CD2 3.85Å; L106-L109 HydrophobicContact CD2-CB 4.11Å; L106-L109 HydrophobicContact CD2-CD1 4.44Å; L106-L109 HydrophobicContact CD2-CD2 4.48Å; L109-L111 HydrophobicContact CD1-CD1 4.39Å; L109-L111 HydrophobicContact CD1-CG 4.19Å; L109-L111 HydrophobicContact CD2-CD1 3.99Å; L109-L111 HydrophobicContact CG-CD1 4.03Å; L109-L111 HydrophobicContact CG-CG 4.17Å; L109-L124 HydrophobicContact CD2-CD2 3.76Å; L109-L127 HydrophobicContact CD2-CD1 4.08Å; L109-L130 HydrophobicContact CB-CD1 3.8Å; L109-L130 HydrophobicContact CB-CD2 4.43Å; L109-S132 PolarHBondContact N-O 2.98Å; L109-L133 HydrophobicContact CB-CD1 4.17Å; L109-L133 HydrophobicContact CD2-CD1 4.01Å; L109-L133 HydrophobicContact CG-CD1 4.12Å; L109-R134 PolarHBondContact O-N 3.49Å
110	M	98.4	Very high	95.7	Very high	30 Å²	30	38.3 Å²	38.3	15%	0.148	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	107.9	-179.4	-69.6	-163	-151.9	0	0	111.5	E84 L85 R86 L87 V108 R134	E84-M110 WeakPolarHBondContact OE1-CE 3.39Å; L85-M110 PolarHBondContact O-N 3.17Å; R86-M110 HydrophobicContact CB-CB 4.24Å; R86-M110 HydrophobicContact CG-CB 4.08Å; R86-M110 HydrophobicContact CG-CE 4.46Å; R86-M110 HydrophobicContact CG-CG 4.25Å; R86-M110 HydrophobicContact CG-SD 4.01Å; L87-M110 WeakPolarHBondContact CA-O 3.45Å; L87-M110 PolarHBondContact N-O 3.44Å; V108-M110 HydrophobicContact CG1-CE 3.77Å; V108-M110 HydrophobicContact CG1-CG 4.17Å; M110-R134 HydrophobicContact CG-CB 4.43Å
111	L	98	Very high	95.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.207	C	C	.	.			trans	-118.9	14.9	179.5	-70.3	165.2	0	0	0	112.3	L87 L92 I95 L109 N114 L116 R134 L135 N138	L87-L111 HydrophobicContact CB-CD2 3.93Å; L87-L111 HydrophobicContact CD1-CD2 3.79Å; L92-L111 HydrophobicContact CD1-CD2 3.85Å; I95-L111 HydrophobicContact CD1-CD1 4.1Å; I95-L111 HydrophobicContact CD1-CD2 3.85Å; L109-L111 HydrophobicContact CD1-CD1 4.39Å; L109-L111 HydrophobicContact CD1-CG 4.19Å; L109-L111 HydrophobicContact CD2-CD1 3.99Å; L109-L111 HydrophobicContact CG-CD1 4.03Å; L109-L111 HydrophobicContact CG-CG 4.17Å; L111-N114 WeakPolarHBondContact O-CB 3.45Å; L111-N114 PolarHBondContact O-ND2 3.4Å; L111-L116 HydrophobicContact CB-CD1 4.4Å; L111-R134 WeakPolarHBondContact CA-O 3.44Å; L111-R134 WeakPolarHBondContact CB-O 3.41Å; L111-R134 PolarHBondContact N-O 2.77Å; L111-L135 HydrophobicContact CB-CD2 3.95Å; L111-L135 HydrophobicContact CD1-CD2 3.89Å; L111-N138 PolarHBondContact O-ND2 3.29Å
112	Q	97.7	Very high	95.6	Very high	22 Å²	22	40.6 Å²	40.6	10%	0.103	21%	0.212	C	C	.	.			trans	-69.1	157.7	-177.5	70.4	-82.2	7.5	0	0	114.1	A88 G89 N114 R134 D136	A88-Q112 CarbonylContact C-O 3.25Å; A88-Q112 WeakPolarHBondContact CA-O 3.49Å; A88-Q112 HydrophobicContact CB-CG 3.93Å; A88-Q112 WeakPolarHBondContact CB-O 3.33Å; G89-Q112 PolarHBondContact N-O 3.31Å; Q112-N114 PolarHBondContact O-ND2 3.39Å; Q112-N114 VanDerWaalsContact O-ND2 3.12Å; Q112-R134 VanDerWaalsContact OE1-CB 3.25Å; Q112-D136 CarbonylContact C-O 3.33Å; Q112-D136 WeakPolarHBondContact CA-O 3.5Å; Q112-D136 HydrophobicContact CB-CB 4.37Å; Q112-D136 WeakPolarHBondContact CB-O 3.45Å; Q112-D136 WeakPolarHBondContact CB-OD1 3.47Å; Q112-D136 WeakPolarHBondContact CB-OD2 3.41Å
113	N	97.8	Very high	96	Very high	91 Å²	91	40.1 Å²	40.1	49%	0.487	21%	0.207	S	C	.	.	S	Bend	trans	54.5	62.9	-175.1	-168.7	29.2	0	0	0	111.4	G89 N90 D136 A137	G89-N113 WeakPolarHBondContact CA-O 3.44Å; G89-N113 PolarHBondContact N-O 2.92Å; N90-N113 PolarHBondContact N-O 2.92Å; N113-D136 PolarHBondContact N-O 2.96Å; N113-D136 VanDerWaalsContact N-O 3.1Å; N113-A137 WeakPolarHBondContact CA-O 2.97Å; N113-A137 HydrophobicContact CB-CB 4.37Å; N113-A137 PolarHBondContact N-O 3.48Å; N113-A137 VanDerWaalsContact N-O 3.08Å
114	N	98	Very high	96	Very high	3 Å²	3	40 Å²	40	2%	0.016	21%	0.206	C	C	.	.	S	Bend	trans	-141.3	178.1	-179.4	-86.5	-83.5	0	0	0	110.9	L87 N90 L92 L111 Q112 L116 A137 N138	L87-N114 PolarHBondContact O-ND2 2.69Å; N90-N114 WeakPolarHBondContact CA-OD1 3.37Å; N90-N114 VanDerWaalsContact CB-OD1 3.24Å; N90-N114 WeakPolarHBondContact CB-OD1 3.28Å; N90-N114 WeakPolarHBondContact O-CA 3.29Å; N90-N114 PolarHBondContact O-OD1 3.02Å; L92-N114 HydrophobicContact CB-CB 4.28Å; L92-N114 WeakPolarHBondContact CB-OD1 3.42Å; L92-N114 VanDerWaalsContact CG-OD1 3.26Å; L92-N114 WeakPolarHBondContact CG-OD1 3.18Å; L92-N114 PolarHBondContact N-OD1 3.32Å; L92-N114 VanDerWaalsContact N-OD1 3.08Å; L111-N114 WeakPolarHBondContact O-CB 3.45Å; L111-N114 PolarHBondContact O-ND2 3.4Å; Q112-N114 PolarHBondContact O-ND2 3.39Å; Q112-N114 VanDerWaalsContact O-ND2 3.12Å; N114-L116 HydrophobicContact CB-CG 4.42Å; N114-A137 PolarHBondContact N-O 2.92Å; N114-N138 VanDerWaalsContact CB-OD1 3.28Å; N114-N138 WeakPolarHBondContact CB-OD1 3.44Å; N114-N138 PolarHBondContact O-OD1 3.16Å; N114-N138 VanDerWaalsContact O-OD1 3.1Å
115	Q	97.4	Very high	96	Very high	68 Å²	68	38.3 Å²	38.3	32%	0.318	20%	0.197	S	C	.	.			trans	-100.5	22.3	-172	-59.2	-63.7	-31.2	0	0	113.3	L92 T93 H139	L92-Q115 CarbonylContact O-C 3.23Å; L92-Q115 WeakPolarHBondContact O-CA 3.43Å; L92-Q115 WeakPolarHBondContact O-CB 3.13Å; L92-Q115 PolarHBondContact O-N 2.79Å; T93-Q115 HydrophobicContact CG2-CB 3.61Å; T93-Q115 HydrophobicContact CG2-CG 4.43Å; Q115-H139 PolarHBondContact OE1-CD2 3Å
116	L	97.3	Very high	95.7	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	20%	0.201	C	C	.	.			trans	-72.6	131.8	-174.4	-57.7	173.4	0	0	0	111.2	L92 I95 L111 N114 L135 N138 H139 I140	L92-L116 HydrophobicContact CB-CD2 4.36Å; L92-L116 WeakPolarHBondContact O-CD2 3.42Å; L92-L116 PolarHBondContact O-N 3.03Å; I95-L116 HydrophobicContact CD1-CD1 4.41Å; I95-L116 HydrophobicContact CD1-CD2 4.21Å; I95-L116 HydrophobicContact CG1-CD2 4.26Å; L111-L116 HydrophobicContact CB-CD1 4.4Å; N114-L116 HydrophobicContact CB-CG 4.42Å; L116-L135 HydrophobicContact CD1-CD2 3.99Å; L116-N138 VanDerWaalsContact CB-OD1 3.24Å; L116-N138 WeakPolarHBondContact CB-OD1 3.47Å; L116-N138 WeakPolarHBondContact CG-OD1 3.22Å; L116-N138 PolarHBondContact N-OD1 2.99Å; L116-N138 VanDerWaalsContact N-OD1 3.16Å; L116-H139 CarbonylContact O-C 3.56Å; L116-H139 VanDerWaalsContact O-CA 3.3Å; L116-H139 WeakPolarHBondContact O-CA 3.41Å; L116-H139 PolarHBondContact O-N 3.22Å; L116-I140 HydrophobicContact CB-CG1 4.4Å; L116-I140 PolarHBondContact O-N 3.17Å; L116-I140 VanDerWaalsContact O-N 3.13Å
117	K	96.3	Very high	95.6	Very high	145 Å²	145	38.7 Å²	38.7	63%	0.63	20%	0.202	S	C	*	.	S	Bend	trans	-100.1	-14.5	-178.6	-66.5	174.7	-177	170.2	0	114.5	H139 I140 T141	K117-H139 WeakPolarHBondContact CA-O 3.26Å; K117-I140 WeakPolarHBondContact O-CA 3.45Å; K117-T141 PolarHBondContact O-N 3.29Å; K117-T141 PolarHBondContact O-OG1 2.89Å
118	S	96.8	Very high	95.3	Very high	54 Å²	54	39.6 Å²	39.6	38%	0.378	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-153.3	152	178.6	56	0	0	0	0	109.4	T142	S118-T142 WeakPolarHBondContact CA-O 3.36Å
119	V	96.3	Very high	95.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	21%	0.21	C	C	.	.			trans	-63.7	131.7	176.2	178.2	0	0	0	0	110.3	N121 L124 L135 I140 T142 V143 F148 L159	V119-N121 PolarHBondContact O-N 3.23Å; V119-L124 HydrophobicContact CG1-CD1 3.75Å; V119-L135 HydrophobicContact CG1-CD1 4.06Å; V119-L135 HydrophobicContact CG2-CD1 4.18Å; V119-I140 HydrophobicContact CG2-CD1 4.19Å; V119-I140 HydrophobicContact CG2-CG2 4.08Å; V119-T142 PolarHBondContact N-O 3.09Å; V119-V143 HydrophobicContact CB-CG1 4.24Å; V119-V143 HydrophobicContact CG2-CB 4.21Å; V119-V143 HydrophobicContact CG2-CG1 3.92Å; V119-V143 HydrophobicContact CG2-CG2 3.82Å; V119-F148 HydrophobicContact CG1-CE1 3.7Å; V119-F148 HydrophobicContact CG1-CZ 4.09Å; V119-F148 HydrophobicContact CG2-CZ 4.38Å; V119-L159 HydrophobicContact CG2-CD2 4.25Å
120	P	94.4	Very high	95.1	Very high	19 Å²	19	39.9 Å²	39.9	12%	0.123	21%	0.21	C	C	.	.			trans	-79.5	62.3	-175.1	33.6	-37.7	0	0	0	112.4	I95 A122 A123 L124	I95-P120 HydrophobicContact CB-CB 4.32Å; I95-P120 HydrophobicContact CD1-CG 4.3Å; P120-A122 VanDerWaalsContact C-N 3.32Å; P120-A122 PolarHBondContact O-N 3.48Å; P120-A122 VanDerWaalsContact O-N 3.15Å; P120-A123 HydrophobicContact CB-CB 4.4Å; P120-A123 PolarHBondContact O-N 3.17Å; P120-L124 HydrophobicContact CG-CD1 4.21Å; P120-L124 HydrophobicContact CG-CG 4.25Å; P120-L124 PolarHBondContact O-N 3.08Å
121	N	92	Very high	95.1	Very high	45 Å²	45	40.7 Å²	40.7	24%	0.241	21%	0.213	C	C	.	.	H	α-helix	trans	-40.8	-51.8	-176.7	63.2	-21.2	0	0	0	114.3	V119 A123 L124 K125 P144 D146	V119-N121 PolarHBondContact O-N 3.23Å; N121-A123 VanDerWaalsContact C-N 3.3Å; N121-A123 PolarHBondContact O-N 3Å; N121-L124 PolarHBondContact O-N 3.18Å; N121-K125 PolarHBondContact O-N 2.97Å; N121-K125 VanDerWaalsContact O-N 3.17Å; N121-P144 HydrophobicContact CB-CB 4.15Å; N121-P144 HydrophobicContact CB-CG 4.29Å; N121-D146 PolarHBondContact ND2-OD1 3.31Å; N121-D146 PolarHBondContact ND2-OD2 3.31Å
122	A	92.3	Very high	95.1	Very high	41 Å²	41	41.3 Å²	41.3	34%	0.339	22%	0.218	S	C	.	.	H	α-helix	trans	-65.7	-29.8	-175.6	0	0	0	0	0	113.4	P97 P120	P97-A122 HydrophobicContact CB-CB 3.85Å; P97-A122 HydrophobicContact CG-CB 3.99Å; P120-A122 VanDerWaalsContact C-N 3.32Å; P120-A122 PolarHBondContact O-N 3.48Å; P120-A122 VanDerWaalsContact O-N 3.15Å
123	A	93.9	Very high	95.1	Very high	6 Å²	6	40.2 Å²	40.2	5%	0.05	21%	0.213	C	C	.	.	H	α-helix	trans	-83	-28.9	177.7	0	0	0	0	0	113	I95 P97 L100 P120 N121	I95-A123 HydrophobicContact CG2-CB 3.85Å; P97-A123 WeakPolarHBondContact O-CA 3.47Å; L100-A123 HydrophobicContact CD1-CB 4.22Å; L100-A123 HydrophobicContact CG-CB 4.43Å; P120-A123 HydrophobicContact CB-CB 4.4Å; P120-A123 PolarHBondContact O-N 3.17Å; N121-A123 VanDerWaalsContact C-N 3.3Å; N121-A123 PolarHBondContact O-N 3Å
124	L	94.3	Very high	95.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-79	-21.9	178	-63.2	173.9	0	0	0	113	L100 L109 V119 P120 N121 N126 L127 L133 F148 L151	L100-L124 HydrophobicContact CD1-CD2 4.34Å; L109-L124 HydrophobicContact CD2-CD2 3.76Å; V119-L124 HydrophobicContact CG1-CD1 3.75Å; P120-L124 HydrophobicContact CG-CD1 4.21Å; P120-L124 HydrophobicContact CG-CG 4.25Å; P120-L124 PolarHBondContact O-N 3.08Å; N121-L124 PolarHBondContact O-N 3.18Å; L124-N126 PolarHBondContact O-N 2.79Å; L124-L127 HydrophobicContact CD2-CD1 3.88Å; L124-L127 PolarHBondContact O-N 2.64Å; L124-L133 HydrophobicContact CD1-CD2 3.88Å; L124-L133 HydrophobicContact CD2-CD1 4.19Å; L124-L133 HydrophobicContact CD2-CD2 4.33Å; L124-F148 HydrophobicContact CD1-CE1 4.49Å; L124-L151 HydrophobicContact CB-CD2 4.41Å; L124-L151 WeakPolarHBondContact O-CD2 3.43Å
125	K	89.9	Confident	95.2	Very high	89 Å²	89	39.2 Å²	39.2	39%	0.387	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-29.8	-167.7	-169.8	164.9	-171.9	111.7	0	116.4	N121 E149 G150	N121-K125 PolarHBondContact O-N 2.97Å; N121-K125 VanDerWaalsContact O-N 3.17Å; K125-E149 IonicContact NZ-OE2 2.68Å; K125-E149 PolarHBondContact NZ-OE2 3.02Å; K125-E149 VanDerWaalsContact NZ-OE2 3.13Å; K125-G150 WeakPolarHBondContact O-CA 3.45Å
126	N	87.8	Confident	95.2	Very high	86 Å²	86	36.4 Å²	36.4	46%	0.46	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	4.6	-174.9	-60.8	-38.1	0	0	0	114.3	L124 H128	L124-N126 PolarHBondContact O-N 2.79Å; N126-H128 VanDerWaalsContact C-N 3.3Å; N126-H128 PolarHBondContact O-N 3.08Å; N126-H128 VanDerWaalsContact O-N 3.07Å
127	L	93.7	Very high	95.2	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	20%	0.199	C	C	.	.			trans	-87.7	60.1	-174	-56.5	177.5	0	0	0	112.2	L100 L103 L106 L109 L124 S129 L130 L151	L100-L127 HydrophobicContact CB-CD2 4.36Å; L100-L127 HydrophobicContact CD1-CD1 3.93Å; L103-L127 HydrophobicContact CB-CD2 3.96Å; L106-L127 HydrophobicContact CD2-CD1 4.3Å; L106-L127 HydrophobicContact CD2-CD2 4.3Å; L109-L127 HydrophobicContact CD2-CD1 4.08Å; L124-L127 HydrophobicContact CD2-CD1 3.88Å; L124-L127 PolarHBondContact O-N 2.64Å; L127-S129 PolarHBondContact O-N 2.95Å; L127-S129 VanDerWaalsContact O-N 3.17Å; L127-L130 HydrophobicContact CB-CB 4.09Å; L127-L130 HydrophobicContact CB-CD2 4.47Å; L127-L130 HydrophobicContact CD1-CD2 4.29Å; L127-L130 VanDerWaalsContact O-CB 3.25Å; L127-L130 WeakPolarHBondContact O-CB 3.4Å; L127-L130 PolarHBondContact O-N 2.97Å; L127-L130 VanDerWaalsContact O-N 3.08Å; L127-L151 HydrophobicContact CB-CD2 3.82Å; L127-L151 WeakPolarHBondContact O-CD2 3.37Å
128	H	92.3	Very high	95.3	Very high	92 Å²	92	30.7 Å²	30.7	43%	0.426	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.6	-171.6	-53.7	-44.1	0	0	0	114.9	N126 G150 Q153	N126-H128 VanDerWaalsContact C-N 3.3Å; N126-H128 PolarHBondContact O-N 3.08Å; N126-H128 VanDerWaalsContact O-N 3.07Å; H128-G150 PolarHBondContact ND1-O 3.5Å; H128-Q153 WeakPolarHBondContact O-CG 3.34Å
129	S	95.7	Very high	95.4	Very high	35 Å²	35	31.9 Å²	31.9	25%	0.245	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.6	177.8	-66	0	0	0	0	114.5	H104 L106 L127 Q131	H104-S129 PolarHBondContact O-OG 2.81Å; H104-S129 VanDerWaalsContact O-OG 3.05Å; L106-S129 CarbonylContact O-C 3.6Å; L127-S129 PolarHBondContact O-N 2.95Å; L127-S129 VanDerWaalsContact O-N 3.17Å; S129-Q131 PolarHBondContact O-N 3.42Å
130	L	97.3	Very high	95.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.			trans	-70.7	125	-172.7	-163.2	73.2	0	0	0	111.3	L106 L109 L127 L133 L151 Q153 L154	L106-L130 HydrophobicContact CD2-CD1 4.06Å; L106-L130 HydrophobicContact CG-CD1 4.06Å; L106-L130 WeakPolarHBondContact O-CA 3.37Å; L106-L130 PolarHBondContact O-N 3.35Å; L106-L130 VanDerWaalsContact O-N 3.13Å; L109-L130 HydrophobicContact CB-CD1 3.8Å; L109-L130 HydrophobicContact CB-CD2 4.43Å; L127-L130 HydrophobicContact CB-CB 4.09Å; L127-L130 HydrophobicContact CB-CD2 4.47Å; L127-L130 HydrophobicContact CD1-CD2 4.29Å; L127-L130 VanDerWaalsContact O-CB 3.25Å; L127-L130 WeakPolarHBondContact O-CB 3.4Å; L127-L130 PolarHBondContact O-N 2.97Å; L127-L130 VanDerWaalsContact O-N 3.08Å; L130-L133 HydrophobicContact CD2-CB 3.97Å; L130-L133 HydrophobicContact CD2-CD1 4.29Å; L130-L133 HydrophobicContact CD2-CD2 4.38Å; L130-L133 HydrophobicContact CD2-CG 4.45Å; L130-L151 HydrophobicContact CB-CD2 4.23Å; L130-L151 HydrophobicContact CD2-CD1 4.3Å; L130-L151 HydrophobicContact CD2-CD2 3.99Å; L130-Q153 CarbonylContact O-C 3.51Å; L130-L154 VanDerWaalsContact O-CA 3.27Å; L130-L154 WeakPolarHBondContact O-CA 3.34Å; L130-L154 PolarHBondContact O-N 3.28Å
131	Q	98	Very high	95.5	Very high	47 Å²	47	34.4 Å²	34.4	22%	0.22	18%	0.184	C	C	.	.			trans	-110.2	-23.3	-178.8	-59.5	-177.6	17.8	0	0	112.2	K107 S129 Q153 R155 H156	K107-Q131 PolarHBondContact O-N 3.13Å; S129-Q131 PolarHBondContact O-N 3.42Å; Q131-Q153 HydrophobicContact CG-CB 4.13Å; Q131-R155 PolarHBondContact O-N 3.45Å; Q131-H156 PolarHBondContact O-N 3.25Å
132	S	98.5	Very high	95.7	Very high	14 Å²	14	36.1 Å²	36.1	10%	0.098	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	115.8	-171.5	-179	0	0	0	0	109.7	K107 V108 L109 W158	K107-S132 PolarHBondContact O-N 2.97Å; V108-S132 WeakPolarHBondContact CA-O 3.48Å; L109-S132 PolarHBondContact N-O 2.98Å; S132-W158 WeakPolarHBondContact OG-CH2 3.26Å; S132-W158 WeakPolarHBondContact OG-CZ3 3.49Å
133	L	98.2	Very high	95.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	109.1	179.4	176.6	56.8	0	0	0	110.6	L109 L124 L130 L135 F148 L151 L154 H156 L157 W158	L109-L133 HydrophobicContact CB-CD1 4.17Å; L109-L133 HydrophobicContact CD2-CD1 4.01Å; L109-L133 HydrophobicContact CG-CD1 4.12Å; L124-L133 HydrophobicContact CD1-CD2 3.88Å; L124-L133 HydrophobicContact CD2-CD1 4.19Å; L124-L133 HydrophobicContact CD2-CD2 4.33Å; L130-L133 HydrophobicContact CD2-CB 3.97Å; L130-L133 HydrophobicContact CD2-CD1 4.29Å; L130-L133 HydrophobicContact CD2-CD2 4.38Å; L130-L133 HydrophobicContact CD2-CG 4.45Å; L133-L135 HydrophobicContact CD1-CD1 4.23Å; L133-L135 HydrophobicContact CD1-CG 4.13Å; L133-L135 HydrophobicContact CD2-CD1 3.95Å; L133-L135 HydrophobicContact CG-CD1 3.96Å; L133-L135 HydrophobicContact CG-CG 4.2Å; L133-F148 HydrophobicContact CD2-CD1 4.28Å; L133-F148 HydrophobicContact CD2-CE1 3.96Å; L133-L151 HydrophobicContact CD2-CD1 3.87Å; L133-L154 HydrophobicContact CB-CD1 3.84Å; L133-H156 PolarHBondContact N-O 3.17Å; L133-L157 HydrophobicContact CB-CD1 4.23Å; L133-L157 HydrophobicContact CD2-CD1 4.1Å; L133-L157 HydrophobicContact CG-CD1 4.14Å; L133-W158 PolarHBondContact O-N 3Å; L133-W158 VanDerWaalsContact O-N 3.11Å
134	R	98.6	Very high	95.9	Very high	73 Å²	73	36.6 Å²	36.6	28%	0.275	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.8	175.4	-75	-170.9	72.4	166.6	4.5	111.8	L109 M110 L111 Q112 D136 W158	L109-R134 PolarHBondContact O-N 3.49Å; M110-R134 HydrophobicContact CG-CB 4.43Å; L111-R134 WeakPolarHBondContact CA-O 3.44Å; L111-R134 WeakPolarHBondContact CB-O 3.41Å; L111-R134 PolarHBondContact N-O 2.77Å; Q112-R134 VanDerWaalsContact OE1-CB 3.25Å; R134-D136 VanDerWaalsContact CB-OD1 3.28Å; R134-D136 WeakPolarHBondContact CB-OD1 3.46Å; R134-D136 IonicContact CZ-OD1 2.76Å; R134-D136 IonicContact CZ-OD2 3.26Å; R134-D136 IonicContact NE-OD1 3.96Å; R134-D136 PolarHBondContact NE-OD1 3.21Å; R134-D136 IonicContact NE-OD2 2.73Å; R134-D136 PolarHBondContact NE-OD2 3.33Å; R134-D136 IonicContact NH2-OD1 2.71Å; R134-D136 IonicContact NH2-OD2 3.16Å; R134-D136 PolarHBondContact NH2-OD2 3.17Å; R134-W158 HydrophobicContact CB-CE3 4.41Å; R134-W158 HydrophobicContact CG-CB 4.18Å; R134-W158 HydrophobicContact CG-CD2 3.65Å; R134-W158 HydrophobicContact CG-CE3 3.36Å; R134-W158 HydrophobicContact CG-CG 4.03Å; R134-W158 HydrophobicContact CG-CZ3 3.83Å
135	L	98.1	Very high	95.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.			trans	-128.9	17.5	175.8	-70.9	163.6	0	0	0	110.8	L111 L116 V119 L133 N138 I140 W158 L159 N162	L111-L135 HydrophobicContact CB-CD2 3.95Å; L111-L135 HydrophobicContact CD1-CD2 3.89Å; L116-L135 HydrophobicContact CD1-CD2 3.99Å; V119-L135 HydrophobicContact CG1-CD1 4.06Å; V119-L135 HydrophobicContact CG2-CD1 4.18Å; L133-L135 HydrophobicContact CD1-CD1 4.23Å; L133-L135 HydrophobicContact CD1-CG 4.13Å; L133-L135 HydrophobicContact CD2-CD1 3.95Å; L133-L135 HydrophobicContact CG-CD1 3.96Å; L133-L135 HydrophobicContact CG-CG 4.2Å; L135-N138 PolarHBondContact O-ND2 3.26Å; L135-I140 HydrophobicContact CB-CD1 3.96Å; L135-I140 HydrophobicContact CD2-CD1 4.44Å; L135-W158 CarbonylContact C-O 3.2Å; L135-W158 WeakPolarHBondContact CA-O 3.19Å; L135-W158 WeakPolarHBondContact CB-O 2.94Å; L135-W158 PolarHBondContact N-O 3.15Å; L135-L159 HydrophobicContact CB-CD2 3.84Å; L135-L159 HydrophobicContact CD1-CD2 4.07Å; L135-N162 PolarHBondContact O-ND2 3.4Å
136	D	97.9	Very high	96	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.048	22%	0.219	C	C	.	.			trans	-68.4	162.2	-179.9	50.5	-75.5	0	0	0	113.3	Q112 N113 R134 N138 W158 D160	Q112-D136 CarbonylContact C-O 3.33Å; Q112-D136 WeakPolarHBondContact CA-O 3.5Å; Q112-D136 HydrophobicContact CB-CB 4.37Å; Q112-D136 WeakPolarHBondContact CB-O 3.45Å; Q112-D136 WeakPolarHBondContact CB-OD1 3.47Å; Q112-D136 WeakPolarHBondContact CB-OD2 3.41Å; N113-D136 PolarHBondContact N-O 2.96Å; N113-D136 VanDerWaalsContact N-O 3.1Å; R134-D136 VanDerWaalsContact CB-OD1 3.28Å; R134-D136 WeakPolarHBondContact CB-OD1 3.46Å; R134-D136 IonicContact CZ-OD1 2.76Å; R134-D136 IonicContact CZ-OD2 3.26Å; R134-D136 IonicContact NE-OD1 3.96Å; R134-D136 PolarHBondContact NE-OD1 3.21Å; R134-D136 IonicContact NE-OD2 2.73Å; R134-D136 PolarHBondContact NE-OD2 3.33Å; R134-D136 IonicContact NH2-OD1 2.71Å; R134-D136 IonicContact NH2-OD2 3.16Å; R134-D136 PolarHBondContact NH2-OD2 3.17Å; D136-N138 PolarHBondContact O-N 3.04Å; D136-N138 PolarHBondContact O-ND2 3.13Å; D136-W158 HydrophobicContact CB-CB 4.13Å; D136-W158 PolarHBondContact N-O 2.99Å; D136-W158 WeakPolarHBondContact OD1-CB 3.37Å; D136-D160 CarbonylContact C-O 3.54Å; D136-D160 WeakPolarHBondContact CA-O 3.45Å; D136-D160 WeakPolarHBondContact CB-O 3.49Å; D136-D160 WeakPolarHBondContact CB-OD1 3.4Å
137	A	97.8	Very high	96.2	Very high	27 Å²	27	36.2 Å²	36.2	22%	0.223	20%	0.197	C	C	.	.	S	Bend	trans	48.8	58.6	-177.1	0	0	0	0	0	112.4	N113 N114 D160 D161	N113-A137 WeakPolarHBondContact CA-O 2.97Å; N113-A137 HydrophobicContact CB-CB 4.37Å; N113-A137 PolarHBondContact N-O 3.48Å; N113-A137 VanDerWaalsContact N-O 3.08Å; N114-A137 PolarHBondContact N-O 2.92Å; A137-D160 PolarHBondContact N-O 3.37Å; A137-D161 CarbonylContact C-O 3.07Å; A137-D161 WeakPolarHBondContact CA-O 3.33Å; A137-D161 HydrophobicContact CB-CB 4.43Å; A137-D161 PolarHBondContact N-O 3.3Å
138	N	98.1	Very high	96.2	Very high	2 Å²	2	36 Å²	36	1%	0.011	20%	0.196	C	C	.	.	S	Bend	trans	-132.8	-168.7	-179.6	-92.9	-97.3	0	0	0	109.6	L111 N114 L116 L135 D136 I140 D161 N162	L111-N138 PolarHBondContact O-ND2 3.29Å; N114-N138 VanDerWaalsContact CB-OD1 3.28Å; N114-N138 WeakPolarHBondContact CB-OD1 3.44Å; N114-N138 PolarHBondContact O-OD1 3.16Å; N114-N138 VanDerWaalsContact O-OD1 3.1Å; L116-N138 VanDerWaalsContact CB-OD1 3.24Å; L116-N138 WeakPolarHBondContact CB-OD1 3.47Å; L116-N138 WeakPolarHBondContact CG-OD1 3.22Å; L116-N138 PolarHBondContact N-OD1 2.99Å; L116-N138 VanDerWaalsContact N-OD1 3.16Å; L135-N138 PolarHBondContact O-ND2 3.26Å; D136-N138 PolarHBondContact O-N 3.04Å; D136-N138 PolarHBondContact O-ND2 3.13Å; N138-I140 HydrophobicContact CB-CD1 4.18Å; N138-I140 HydrophobicContact CB-CG1 4.08Å; N138-D161 PolarHBondContact N-O 2.93Å; N138-N162 WeakPolarHBondContact CA-OD1 3.12Å; N138-N162 WeakPolarHBondContact CB-OD1 3.43Å; N138-N162 PolarHBondContact O-OD1 3.25Å
139	H	97.7	Very high	96.1	Very high	79 Å²	79	36.1 Å²	36.1	37%	0.366	20%	0.197	S	C	.	.			trans	-116	27.8	-179.9	-65.4	-12	0	0	0	112	Q115 L116 K117 T141 N162	Q115-H139 PolarHBondContact OE1-CD2 3Å; L116-H139 CarbonylContact O-C 3.56Å; L116-H139 VanDerWaalsContact O-CA 3.3Å; L116-H139 WeakPolarHBondContact O-CA 3.41Å; L116-H139 PolarHBondContact O-N 3.22Å; K117-H139 WeakPolarHBondContact CA-O 3.26Å; H139-T141 PolarHBondContact O-N 2.74Å; H139-N162 PolarHBondContact N-OD1 3.37Å
140	I	98.1	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.			trans	-67.9	117.8	-173.6	-60.2	168.7	0	0	0	109.5	L116 K117 V119 L135 N138 T142 V143 L159 N162 H163 L164	L116-I140 HydrophobicContact CB-CG1 4.4Å; L116-I140 PolarHBondContact O-N 3.17Å; L116-I140 VanDerWaalsContact O-N 3.13Å; K117-I140 WeakPolarHBondContact O-CA 3.45Å; V119-I140 HydrophobicContact CG2-CD1 4.19Å; V119-I140 HydrophobicContact CG2-CG2 4.08Å; L135-I140 HydrophobicContact CB-CD1 3.96Å; L135-I140 HydrophobicContact CD2-CD1 4.44Å; N138-I140 HydrophobicContact CB-CD1 4.18Å; N138-I140 HydrophobicContact CB-CG1 4.08Å; I140-T142 WeakPolarHBondContact CG2-O 3.33Å; I140-V143 HydrophobicContact CG2-CG2 4.48Å; I140-L159 HydrophobicContact CD1-CD2 4.23Å; I140-N162 HydrophobicContact CB-CB 4.46Å; I140-N162 WeakPolarHBondContact CB-OD1 3.43Å; I140-N162 WeakPolarHBondContact CG1-OD1 3.21Å; I140-N162 PolarHBondContact N-OD1 3.49Å; I140-H163 CarbonylContact O-C 3.46Å; I140-H163 VanDerWaalsContact O-C 3.27Å; I140-H163 WeakPolarHBondContact O-CA 3.19Å; I140-H163 PolarHBondContact O-N 3.5Å; I140-L164 HydrophobicContact CG2-CD2 3.94Å; I140-L164 PolarHBondContact O-N 3.2Å
141	T	96.4	Very high	95.5	Very high	74 Å²	74	35.1 Å²	35.1	45%	0.454	19%	0.191	S	C	.	.			trans	-101.6	-24.3	171.9	54.6	0	0	0	0	112.4	K117 H139 H163	K117-T141 PolarHBondContact O-N 3.29Å; K117-T141 PolarHBondContact O-OG1 2.89Å; H139-T141 PolarHBondContact O-N 2.74Å; T141-H163 HydrophobicContact CG2-CB 3.74Å
142	T	94.4	Very high	95.1	Very high	81 Å²	81	39.4 Å²	39.4	50%	0.497	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-136	143.7	-176.7	59.7	0	0	0	0	113.2	S118 V119 I140	S118-T142 WeakPolarHBondContact CA-O 3.36Å; V119-T142 PolarHBondContact N-O 3.09Å; I140-T142 WeakPolarHBondContact CG2-O 3.33Å
143	V	96.5	Very high	94.9	Very high	19 Å²	19	42.8 Å²	42.8	12%	0.115	23%	0.225	C	C	.	.			trans	-118.8	109.8	171.2	-173.1	0	0	0	0	107.2	V119 I140 S147 F148 L164 P168 S171	V119-V143 HydrophobicContact CB-CG1 4.24Å; V119-V143 HydrophobicContact CG2-CB 4.21Å; V119-V143 HydrophobicContact CG2-CG1 3.92Å; V119-V143 HydrophobicContact CG2-CG2 3.82Å; I140-V143 HydrophobicContact CG2-CG2 4.48Å; V143-S147 WeakPolarHBondContact CG1-OG 3.47Å; V143-F148 HydrophobicContact CG1-CE2 3.74Å; V143-F148 HydrophobicContact CG1-CZ 3.91Å; V143-L164 HydrophobicContact CG2-CD2 3.87Å; V143-P168 HydrophobicContact CB-CB 3.74Å; V143-P168 HydrophobicContact CB-CG 4.33Å; V143-P168 HydrophobicContact CG1-CB 4.1Å; V143-P168 HydrophobicContact CG2-CB 4.03Å; V143-P168 HydrophobicContact CG2-CG 4.13Å; V143-S171 WeakPolarHBondContact CG1-OG 2.99Å; V143-S171 PolarHBondContact O-OG 2.87Å
144	P	94.8	Very high	94.8	Very high	38 Å²	38	42.9 Å²	42.9	25%	0.247	23%	0.226	C	C	.	.			trans	-56	148.1	173.7	-28.6	34.7	0	0	0	113.7	N121 D146 S147 S171	N121-P144 HydrophobicContact CB-CB 4.15Å; N121-P144 HydrophobicContact CB-CG 4.29Å; P144-D146 PolarHBondContact O-N 3.43Å; P144-D146 VanDerWaalsContact O-N 3.15Å; P144-S147 WeakPolarHBondContact CD-OG 3.45Å; P144-S147 VanDerWaalsContact O-CB 3.27Å; P144-S147 WeakPolarHBondContact O-CB 3.22Å; P144-S147 PolarHBondContact O-N 3.4Å; P144-S147 PolarHBondContact O-OG 3.18Å; P144-S171 PolarHBondContact O-OG 2.98Å
145	D	93.3	Very high	94.8	Very high	108 Å²	108	44.3 Å²	44.3	58%	0.578	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.9	-176.7	-71.2	-9.7	0	0	0	113.8	S170 S171	D145-S170 WeakPolarHBondContact OD1-CB 3.32Å; D145-S170 PolarHBondContact OD1-OG 3.11Å; D145-S171 WeakPolarHBondContact O-CA 3.36Å
146	D	92.1	Very high	94.8	Very high	58 Å²	58	47.3 Å²	47.3	31%	0.31	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.4	-178.9	70.1	-31.9	0	0	0	113.9	N121 P144 F148 E149	N121-D146 PolarHBondContact ND2-OD1 3.31Å; N121-D146 PolarHBondContact ND2-OD2 3.31Å; P144-D146 PolarHBondContact O-N 3.43Å; P144-D146 VanDerWaalsContact O-N 3.15Å; D146-F148 PolarHBondContact O-N 2.99Å; D146-E149 WeakPolarHBondContact O-CB 3.46Å; D146-E149 PolarHBondContact O-N 2.84Å; D146-E149 VanDerWaalsContact O-N 3.11Å
147	S	92.9	Very high	94.9	Very high	1 Å²	1	47 Å²	47	1%	0.007	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-34	-168	-65.4	0	0	0	0	116.3	V143 P144	V143-S147 WeakPolarHBondContact CG1-OG 3.47Å; P144-S147 WeakPolarHBondContact CD-OG 3.45Å; P144-S147 VanDerWaalsContact O-CB 3.27Å; P144-S147 WeakPolarHBondContact O-CB 3.22Å; P144-S147 PolarHBondContact O-N 3.4Å; P144-S147 PolarHBondContact O-OG 3.18Å
148	F	93.7	Very high	94.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	4.7	-171.2	-52.4	-46	0	0	0	112.6	V119 L124 L133 V143 D146 G150 L151 L157 L159 Q175	V119-F148 HydrophobicContact CG1-CE1 3.7Å; V119-F148 HydrophobicContact CG1-CZ 4.09Å; V119-F148 HydrophobicContact CG2-CZ 4.38Å; L124-F148 HydrophobicContact CD1-CE1 4.49Å; L133-F148 HydrophobicContact CD2-CD1 4.28Å; L133-F148 HydrophobicContact CD2-CE1 3.96Å; V143-F148 HydrophobicContact CG1-CE2 3.74Å; V143-F148 HydrophobicContact CG1-CZ 3.91Å; D146-F148 PolarHBondContact O-N 2.99Å; F148-G150 VanDerWaalsContact C-N 3.27Å; F148-G150 PolarHBondContact O-N 3.2Å; F148-L151 HydrophobicContact CB-CD1 4.17Å; F148-L151 HydrophobicContact CD1-CD1 3.75Å; F148-L151 HydrophobicContact CG-CD1 4.4Å; F148-L151 WeakPolarHBondContact O-CB 3.5Å; F148-L151 PolarHBondContact O-N 3.28Å; F148-L157 HydrophobicContact CD2-CD2 4.24Å; F148-L157 HydrophobicContact CE1-CD1 4.25Å; F148-L157 HydrophobicContact CE1-CD2 4.47Å; F148-L157 HydrophobicContact CE2-CD2 3.74Å; F148-L157 HydrophobicContact CZ-CD1 4.13Å; F148-L157 HydrophobicContact CZ-CD2 3.87Å; F148-L159 HydrophobicContact CZ-CD1 4.26Å; F148-Q175 HydrophobicContact CB-CG 4.2Å; F148-Q175 PolarHBondContact O-NE2 3.48Å
149	E	90.3	Very high	94.9	Very high	94 Å²	94	49.1 Å²	49.1	44%	0.439	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-40.4	-173.4	-172.4	-167.8	-172	0	0	112.9	K125 D146	K125-E149 IonicContact NZ-OE2 2.68Å; K125-E149 PolarHBondContact NZ-OE2 3.02Å; K125-E149 VanDerWaalsContact NZ-OE2 3.13Å; D146-E149 WeakPolarHBondContact O-CB 3.46Å; D146-E149 PolarHBondContact O-N 2.84Å; D146-E149 VanDerWaalsContact O-N 3.11Å
150	G	86	Confident	94.9	Very high	10 Å²	10	47.1 Å²	47.1	10%	0.103	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-10	179.9	0	0	0	0	0	115.7	K125 H128 F148 Q152	K125-G150 WeakPolarHBondContact O-CA 3.45Å; H128-G150 PolarHBondContact ND1-O 3.5Å; F148-G150 VanDerWaalsContact C-N 3.27Å; F148-G150 PolarHBondContact O-N 3.2Å; G150-Q152 VanDerWaalsContact C-N 3.28Å; G150-Q152 PolarHBondContact O-N 2.91Å
151	L	94	Very high	94.9	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	26%	0.256	C	S	.	.			trans	-87.3	57.6	-169.4	-54.4	-176.6	0	0	0	112.1	L124 L127 L130 L133 F148 Q153 L154	L124-L151 HydrophobicContact CB-CD2 4.41Å; L124-L151 WeakPolarHBondContact O-CD2 3.43Å; L127-L151 HydrophobicContact CB-CD2 3.82Å; L127-L151 WeakPolarHBondContact O-CD2 3.37Å; L130-L151 HydrophobicContact CB-CD2 4.23Å; L130-L151 HydrophobicContact CD2-CD1 4.3Å; L130-L151 HydrophobicContact CD2-CD2 3.99Å; L133-L151 HydrophobicContact CD2-CD1 3.87Å; F148-L151 HydrophobicContact CB-CD1 4.17Å; F148-L151 HydrophobicContact CD1-CD1 3.75Å; F148-L151 HydrophobicContact CG-CD1 4.4Å; F148-L151 WeakPolarHBondContact O-CB 3.5Å; F148-L151 PolarHBondContact O-N 3.28Å; L151-Q153 PolarHBondContact O-N 2.87Å; L151-Q153 VanDerWaalsContact O-N 3.13Å; L151-L154 HydrophobicContact CB-CB 4.09Å; L151-L154 HydrophobicContact CB-CD2 4.41Å; L151-L154 HydrophobicContact CD1-CD2 4.14Å; L151-L154 VanDerWaalsContact O-CB 3.3Å; L151-L154 WeakPolarHBondContact O-CB 3.49Å; L151-L154 PolarHBondContact O-N 3Å; L151-L154 VanDerWaalsContact O-N 3.1Å
152	Q	89.5	Confident	95	Very high	137 Å²	137	47 Å²	47	64%	0.64	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.6	-168.2	-64.8	-173.9	-3.6	0	0	114.9	G150 N177	G150-Q152 VanDerWaalsContact C-N 3.28Å; G150-Q152 PolarHBondContact O-N 2.91Å; Q152-N177 PolarHBondContact O-ND2 3.23Å
153	Q	94.9	Very high	95.2	Very high	86 Å²	86	45.8 Å²	45.8	40%	0.402	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	6.4	177.5	-64.7	-166.4	14.8	0	0	114.7	H128 L130 Q131 L151 R155	H128-Q153 WeakPolarHBondContact O-CG 3.34Å; L130-Q153 CarbonylContact O-C 3.51Å; Q131-Q153 HydrophobicContact CG-CB 4.13Å; L151-Q153 PolarHBondContact O-N 2.87Å; L151-Q153 VanDerWaalsContact O-N 3.13Å; Q153-R155 PolarHBondContact O-N 3.2Å
154	L	96.8	Very high	95.2	Very high	2 Å²	2	45 Å²	45	1%	0.01	22%	0.218	C	C	.	.			trans	-63.8	123.5	-172.6	-167.2	68.8	0	0	0	112	L130 L133 L151 L157 N177 L178	L130-L154 VanDerWaalsContact O-CA 3.27Å; L130-L154 WeakPolarHBondContact O-CA 3.34Å; L130-L154 PolarHBondContact O-N 3.28Å; L133-L154 HydrophobicContact CB-CD1 3.84Å; L151-L154 HydrophobicContact CB-CB 4.09Å; L151-L154 HydrophobicContact CB-CD2 4.41Å; L151-L154 HydrophobicContact CD1-CD2 4.14Å; L151-L154 VanDerWaalsContact O-CB 3.3Å; L151-L154 WeakPolarHBondContact O-CB 3.49Å; L151-L154 PolarHBondContact O-N 3Å; L151-L154 VanDerWaalsContact O-N 3.1Å; L154-L157 HydrophobicContact CD2-CB 4.28Å; L154-L157 HydrophobicContact CD2-CD2 4.41Å; L154-N177 CarbonylContact O-C 3.57Å; L154-N177 VanDerWaalsContact O-C 3.29Å; L154-L178 HydrophobicContact CD2-CD1 4.07Å; L154-L178 HydrophobicContact CG-CD1 3.9Å; L154-L178 WeakPolarHBondContact O-CA 3.28Å; L154-L178 PolarHBondContact O-N 3.39Å
155	R	98	Very high	95.3	Very high	102 Å²	102	46.3 Å²	46.3	39%	0.385	23%	0.225	S	C	.	.			trans	-112.4	-33.5	178.4	-62.6	-178.7	-169.7	176.6	4.4	112.6	Q131 Q153 Q179 A180	Q131-R155 PolarHBondContact O-N 3.45Å; Q153-R155 PolarHBondContact O-N 3.2Å; R155-Q179 HydrophobicContact CB-CB 4.42Å; R155-Q179 HydrophobicContact CB-CG 4.33Å; R155-Q179 HydrophobicContact CG-CG 4.48Å; R155-Q179 WeakPolarHBondContact O-CA 3.38Å; R155-Q179 PolarHBondContact O-N 3.4Å; R155-A180 PolarHBondContact O-N 3.39Å
156	H	98.5	Very high	95.4	Very high	64 Å²	64	45.9 Å²	45.9	30%	0.296	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.6	-175.5	-43.5	126.8	0	0	0	110.2	Q131 L133 W158	Q131-H156 PolarHBondContact O-N 3.25Å; L133-H156 PolarHBondContact N-O 3.17Å; H156-W158 HydrophobicContact CB-CE3 4.08Å; H156-W158 HydrophobicContact CB-CH2 3.27Å; H156-W158 HydrophobicContact CB-CZ2 4.03Å; H156-W158 HydrophobicContact CB-CZ3 3.29Å; H156-W158 AromaticContact CG-CH2 3.99Å
157	L	98.3	Very high	95.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	118.1	179.2	178	57.6	0	0	0	109.7	L133 F148 L154 L159 L172 L178 A180 L181 T182	L133-L157 HydrophobicContact CB-CD1 4.23Å; L133-L157 HydrophobicContact CD2-CD1 4.1Å; L133-L157 HydrophobicContact CG-CD1 4.14Å; F148-L157 HydrophobicContact CD2-CD2 4.24Å; F148-L157 HydrophobicContact CE1-CD1 4.25Å; F148-L157 HydrophobicContact CE1-CD2 4.47Å; F148-L157 HydrophobicContact CE2-CD2 3.74Å; F148-L157 HydrophobicContact CZ-CD1 4.13Å; F148-L157 HydrophobicContact CZ-CD2 3.87Å; L154-L157 HydrophobicContact CD2-CB 4.28Å; L154-L157 HydrophobicContact CD2-CD2 4.41Å; L157-L159 HydrophobicContact CD1-CD1 4.24Å; L157-L159 HydrophobicContact CD1-CG 4.17Å; L157-L159 HydrophobicContact CD2-CD1 3.97Å; L157-L159 HydrophobicContact CG-CD1 4.01Å; L157-L159 HydrophobicContact CG-CG 4.24Å; L157-L172 HydrophobicContact CD2-CD2 4.01Å; L157-L178 HydrophobicContact CB-CD1 3.92Å; L157-L178 HydrophobicContact CB-CD2 4.5Å; L157-A180 PolarHBondContact N-O 3.3Å; L157-A180 VanDerWaalsContact N-O 3.13Å; L157-L181 HydrophobicContact CB-CD1 4.12Å; L157-L181 HydrophobicContact CD2-CD1 3.99Å; L157-L181 HydrophobicContact CG-CD1 4.05Å; L157-T182 PolarHBondContact O-N 3.24Å
158	W	98.6	Very high	95.7	Very high	73 Å²	73	44.6 Å²	44.6	28%	0.277	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.4	175.9	-61	-106.2	0	0	0	110	S132 L133 R134 L135 D136 H156 T182	S132-W158 WeakPolarHBondContact OG-CH2 3.26Å; S132-W158 WeakPolarHBondContact OG-CZ3 3.49Å; L133-W158 PolarHBondContact O-N 3Å; L133-W158 VanDerWaalsContact O-N 3.11Å; R134-W158 HydrophobicContact CB-CE3 4.41Å; R134-W158 HydrophobicContact CG-CB 4.18Å; R134-W158 HydrophobicContact CG-CD2 3.65Å; R134-W158 HydrophobicContact CG-CE3 3.36Å; R134-W158 HydrophobicContact CG-CG 4.03Å; R134-W158 HydrophobicContact CG-CZ3 3.83Å; L135-W158 CarbonylContact C-O 3.2Å; L135-W158 WeakPolarHBondContact CA-O 3.19Å; L135-W158 WeakPolarHBondContact CB-O 2.94Å; L135-W158 PolarHBondContact N-O 3.15Å; D136-W158 HydrophobicContact CB-CB 4.13Å; D136-W158 PolarHBondContact N-O 2.99Å; D136-W158 WeakPolarHBondContact OD1-CB 3.37Å; H156-W158 HydrophobicContact CB-CE3 4.08Å; H156-W158 HydrophobicContact CB-CH2 3.27Å; H156-W158 HydrophobicContact CB-CZ2 4.03Å; H156-W158 HydrophobicContact CB-CZ3 3.29Å; H156-W158 AromaticContact CG-CH2 3.99Å; W158-T182 HydrophobicContact CB-CG2 3.97Å; W158-T182 VanDerWaalsContact CD1-CG2 3.45Å; W158-T182 HydrophobicContact CG-CG2 3.85Å
159	L	98.2	Very high	95.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.			trans	-133.8	19.7	178.3	-75.9	166.7	0	0	0	110.5	V119 L135 I140 F148 L157 N162 L164 T182 L183 N186	V119-L159 HydrophobicContact CG2-CD2 4.25Å; L135-L159 HydrophobicContact CB-CD2 3.84Å; L135-L159 HydrophobicContact CD1-CD2 4.07Å; I140-L159 HydrophobicContact CD1-CD2 4.23Å; F148-L159 HydrophobicContact CZ-CD1 4.26Å; L157-L159 HydrophobicContact CD1-CD1 4.24Å; L157-L159 HydrophobicContact CD1-CG 4.17Å; L157-L159 HydrophobicContact CD2-CD1 3.97Å; L157-L159 HydrophobicContact CG-CD1 4.01Å; L157-L159 HydrophobicContact CG-CG 4.24Å; L159-N162 PolarHBondContact O-ND2 3.31Å; L159-L164 HydrophobicContact CB-CD1 4.39Å; L159-T182 PolarHBondContact N-O 3.35Å; L159-L183 HydrophobicContact CB-CD2 3.79Å; L159-L183 HydrophobicContact CD1-CD2 3.89Å; L159-N186 PolarHBondContact O-ND2 2.7Å
160	D	97.9	Very high	95.9	Very high	37 Å²	37	45 Å²	45	20%	0.198	23%	0.228	C	C	.	.			trans	-73.2	162.3	177.7	51.1	-67.4	0	0	0	113.4	D136 A137 N162 T182 A184	D136-D160 CarbonylContact C-O 3.54Å; D136-D160 WeakPolarHBondContact CA-O 3.45Å; D136-D160 WeakPolarHBondContact CB-O 3.49Å; D136-D160 WeakPolarHBondContact CB-OD1 3.4Å; A137-D160 PolarHBondContact N-O 3.37Å; D160-N162 PolarHBondContact O-ND2 3.44Å; D160-T182 HydrophobicContact CB-CG2 4.39Å; D160-T182 WeakPolarHBondContact OD1-CG2 3.49Å; D160-A184 CarbonylContact C-O 3.56Å; D160-A184 WeakPolarHBondContact CA-O 3.25Å; D160-A184 HydrophobicContact CB-CB 4.09Å; D160-A184 VanDerWaalsContact CB-O 3.3Å; D160-A184 WeakPolarHBondContact CB-O 3.29Å
161	D	98.3	Very high	96.3	Very high	73 Å²	73	44.6 Å²	44.6	39%	0.39	22%	0.223	S	C	.	.	S	Bend	trans	47.7	64.1	-173.7	-166.6	29.8	0	0	0	112.4	A137 N138 A184 L185	A137-D161 CarbonylContact C-O 3.07Å; A137-D161 WeakPolarHBondContact CA-O 3.33Å; A137-D161 HydrophobicContact CB-CB 4.43Å; A137-D161 PolarHBondContact N-O 3.3Å; N138-D161 PolarHBondContact N-O 2.93Å; D161-A184 PolarHBondContact N-O 2.71Å; D161-A184 VanDerWaalsContact N-O 3.08Å; D161-L185 WeakPolarHBondContact CA-O 3.28Å; D161-L185 HydrophobicContact CB-CB 4.14Å; D161-L185 HydrophobicContact CB-CD2 4.35Å
162	N	98.4	Very high	96.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-141.7	-168.3	-176.4	-91.7	-79	0	0	0	109.5	L135 N138 H139 I140 L159 D160 L185 N186	L135-N162 PolarHBondContact O-ND2 3.4Å; N138-N162 WeakPolarHBondContact CA-OD1 3.12Å; N138-N162 WeakPolarHBondContact CB-OD1 3.43Å; N138-N162 PolarHBondContact O-OD1 3.25Å; H139-N162 PolarHBondContact N-OD1 3.37Å; I140-N162 HydrophobicContact CB-CB 4.46Å; I140-N162 WeakPolarHBondContact CB-OD1 3.43Å; I140-N162 WeakPolarHBondContact CG1-OD1 3.21Å; I140-N162 PolarHBondContact N-OD1 3.49Å; L159-N162 PolarHBondContact O-ND2 3.31Å; D160-N162 PolarHBondContact O-ND2 3.44Å; N162-L185 PolarHBondContact N-O 2.83Å; N162-N186 WeakPolarHBondContact CA-OD1 3.45Å; N162-N186 VanDerWaalsContact CB-OD1 3.24Å; N162-N186 WeakPolarHBondContact CB-OD1 3.27Å; N162-N186 PolarHBondContact O-OD1 3.26Å
163	H	97.8	Very high	96.4	Very high	54 Å²	54	45 Å²	45	25%	0.25	22%	0.219	C	C	.	.			trans	-121.8	24.8	-171.7	-64.2	-3.3	0	0	0	113.2	I140 T141 N186 R187	I140-H163 CarbonylContact O-C 3.46Å; I140-H163 VanDerWaalsContact O-C 3.27Å; I140-H163 WeakPolarHBondContact O-CA 3.19Å; I140-H163 PolarHBondContact O-N 3.5Å; T141-H163 HydrophobicContact CG2-CB 3.74Å; H163-N186 PolarHBondContact N-OD1 3.46Å; H163-R187 PolarHBondContact ND1-NH2 2.8Å
164	L	97.9	Very high	95.9	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	22%	0.221	C	C	.	.			trans	-64.7	131.8	177.2	-56.6	174.6	0	0	0	110.9	I140 V143 L159 L183 N186 R187 I188	I140-L164 HydrophobicContact CG2-CD2 3.94Å; I140-L164 PolarHBondContact O-N 3.2Å; V143-L164 HydrophobicContact CG2-CD2 3.87Å; L159-L164 HydrophobicContact CB-CD1 4.39Å; L164-L183 HydrophobicContact CD1-CD2 3.74Å; L164-N186 HydrophobicContact CB-CB 4.37Å; L164-N186 VanDerWaalsContact CB-OD1 3.25Å; L164-N186 WeakPolarHBondContact CB-OD1 3.46Å; L164-N186 VanDerWaalsContact CG-OD1 3.32Å; L164-N186 WeakPolarHBondContact CG-OD1 3.22Å; L164-N186 PolarHBondContact N-OD1 3.38Å; L164-R187 CarbonylContact O-C 3.26Å; L164-R187 VanDerWaalsContact O-C 3.23Å; L164-R187 VanDerWaalsContact O-CA 3.27Å; L164-R187 WeakPolarHBondContact O-CA 3.31Å; L164-R187 WeakPolarHBondContact O-CB 3.31Å; L164-R187 PolarHBondContact O-N 3.1Å; L164-I188 PolarHBondContact O-N 3.2Å
165	T	96.2	Very high	95.7	Very high	65 Å²	65	45.6 Å²	45.6	40%	0.399	22%	0.222	S	C	.	.	S	Bend	trans	-96.5	-18.1	177	50.6	0	0	0	0	113.6	I188 L189	T165-I188 WeakPolarHBondContact O-CA 3.16Å; T165-L189 PolarHBondContact O-N 3.13Å
166	D	95.6	Very high	95.4	Very high	99 Å²	99	43.3 Å²	43.3	53%	0.529	22%	0.221	S	C	.	.	S	Bend	trans	-148.4	159	-168.7	-59.3	-88.4	0	0	0	109.6
167	I	96.4	Very high	95.3	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.072	23%	0.228	C	C	.	.			trans	-81.1	132.1	177.7	-68.5	160.3	0	0	0	109.9	V169 L172 L183 I188 I191 A195 F196	I167-V169 HydrophobicContact CB-CG2 4.42Å; I167-V169 HydrophobicContact CG2-CG2 4.01Å; I167-V169 PolarHBondContact O-N 2.84Å; I167-L172 HydrophobicContact CG2-CD1 4.24Å; I167-L183 HydrophobicContact CG1-CD1 4.32Å; I167-I188 HydrophobicContact CD1-CG2 4.43Å; I167-I188 HydrophobicContact CG1-CD1 4.1Å; I167-I188 HydrophobicContact CG1-CG2 4.14Å; I167-I191 HydrophobicContact CD1-CB 4.09Å; I167-I191 HydrophobicContact CD1-CG1 3.95Å; I167-I191 HydrophobicContact CD1-CG2 3.64Å; I167-A195 HydrophobicContact CG2-CB 4.37Å; I167-F196 HydrophobicContact CD1-CE1 4.49Å; I167-F196 HydrophobicContact CD1-CE2 4.17Å; I167-F196 HydrophobicContact CD1-CZ 3.66Å; I167-F196 HydrophobicContact CG1-CZ 4.36Å; I167-F196 HydrophobicContact CG2-CE1 3.88Å; I167-F196 HydrophobicContact CG2-CZ 4.12Å
168	P	95.3	Very high	95.2	Very high	17 Å²	17	44.1 Å²	44.1	11%	0.11	23%	0.227	C	C	.	.			trans	-79.9	63.8	-177.9	33.7	-37.1	0	0	0	112.4	V143 S170 S171 L172	V143-P168 HydrophobicContact CB-CB 3.74Å; V143-P168 HydrophobicContact CB-CG 4.33Å; V143-P168 HydrophobicContact CG1-CB 4.1Å; V143-P168 HydrophobicContact CG2-CB 4.03Å; V143-P168 HydrophobicContact CG2-CG 4.13Å; P168-S170 VanDerWaalsContact C-N 3.3Å; P168-S170 PolarHBondContact O-N 2.81Å; P168-S171 PolarHBondContact O-N 3.44Å; P168-L172 HydrophobicContact CG-CD1 4.03Å; P168-L172 HydrophobicContact CG-CG 4.24Å; P168-L172 WeakPolarHBondContact O-CG 3.39Å; P168-L172 PolarHBondContact O-N 2.88Å
169	V	95.1	Very high	95.2	Very high	52 Å²	52	44.4 Å²	44.4	32%	0.315	23%	0.232	S	C	.	.	H	α-helix	trans	-54.8	-43.4	-175.9	-175.9	0	0	0	0	112	I167 S171 L172 R173 P192 A195	I167-V169 HydrophobicContact CB-CG2 4.42Å; I167-V169 HydrophobicContact CG2-CG2 4.01Å; I167-V169 PolarHBondContact O-N 2.84Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 3.25Å; V169-L172 PolarHBondContact O-N 2.84Å; V169-R173 PolarHBondContact O-N 2.95Å; V169-P192 HydrophobicContact CG2-CG 4.01Å; V169-A195 HydrophobicContact CG2-CB 3.99Å
170	S	93.4	Very high	95.2	Very high	52 Å²	52	45.7 Å²	45.7	36%	0.364	24%	0.243	S	C	.	.	H	α-helix	trans	-57.1	-44.2	176.1	-61.7	0	0	0	0	112.8	D145 P168 R173	D145-S170 WeakPolarHBondContact OD1-CB 3.32Å; D145-S170 PolarHBondContact OD1-OG 3.11Å; P168-S170 VanDerWaalsContact C-N 3.3Å; P168-S170 PolarHBondContact O-N 2.81Å; S170-R173 WeakPolarHBondContact O-CD 3.42Å; S170-R173 WeakPolarHBondContact O-CG 3.41Å
171	S	93.2	Very high	95.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-77	-27.9	-176.2	-39.6	0	0	0	0	113	V143 P144 D145 P168 V169 Q175	V143-S171 WeakPolarHBondContact CG1-OG 2.99Å; V143-S171 PolarHBondContact O-OG 2.87Å; P144-S171 PolarHBondContact O-OG 2.98Å; D145-S171 WeakPolarHBondContact O-CA 3.36Å; P168-S171 PolarHBondContact O-N 3.44Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 3.25Å; S171-Q175 PolarHBondContact O-NE2 3.34Å; S171-Q175 PolarHBondContact O-OE1 2.89Å
172	L	94.3	Very high	95.2	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-87.1	-8.2	-178.6	-69	172.2	0	0	0	114	L157 I167 P168 V169 H174 Q175 L181 L199	L157-L172 HydrophobicContact CD2-CD2 4.01Å; I167-L172 HydrophobicContact CG2-CD1 4.24Å; P168-L172 HydrophobicContact CG-CD1 4.03Å; P168-L172 HydrophobicContact CG-CG 4.24Å; P168-L172 WeakPolarHBondContact O-CG 3.39Å; P168-L172 PolarHBondContact O-N 2.88Å; V169-L172 PolarHBondContact O-N 2.84Å; L172-H174 PolarHBondContact O-N 3.2Å; L172-H174 VanDerWaalsContact O-N 3.15Å; L172-Q175 PolarHBondContact O-N 2.04Å; L172-Q175 PolarHBondContact O-OE1 3.11Å; L172-L181 HydrophobicContact CD1-CD2 3.95Å; L172-L181 HydrophobicContact CD2-CD2 4.31Å; L172-L199 VanDerWaalsContact O-CD2 3.31Å; L172-L199 WeakPolarHBondContact O-CD2 3.04Å
173	R	90.6	Very high	95.2	Very high	146 Å²	146	41.2 Å²	41.2	55%	0.551	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-13	-174.4	76.5	-171.2	-74.7	-174.4	-2.5	115.5	V169 S170 N198	V169-R173 PolarHBondContact O-N 2.95Å; S170-R173 WeakPolarHBondContact O-CD 3.42Å; S170-R173 WeakPolarHBondContact O-CG 3.41Å; R173-N198 WeakPolarHBondContact O-CB 3.43Å; R173-N198 PolarHBondContact O-ND2 2.99Å
174	H	85.1	Confident	95.3	Very high	93 Å²	93	38.7 Å²	38.7	43%	0.431	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-2.8	-174.2	-55.2	117.1	0	0	0	112.8	L172 S176	L172-H174 PolarHBondContact O-N 3.2Å; L172-H174 VanDerWaalsContact O-N 3.15Å; H174-S176 PolarHBondContact O-N 3.2Å
175	Q	93.2	Very high	95.3	Very high	7 Å²	7	42 Å²	42	3%	0.033	23%	0.225	C	C	.	.			trans	-102.8	51.5	-165.4	-68.9	66.7	29	0	0	111.3	F148 S171 L172 N177 L178 L199	F148-Q175 HydrophobicContact CB-CG 4.2Å; F148-Q175 PolarHBondContact O-NE2 3.48Å; S171-Q175 PolarHBondContact O-NE2 3.34Å; S171-Q175 PolarHBondContact O-OE1 2.89Å; L172-Q175 PolarHBondContact O-N 2.04Å; L172-Q175 PolarHBondContact O-OE1 3.11Å; Q175-N177 PolarHBondContact O-N 2.95Å; Q175-N177 VanDerWaalsContact O-N 3.08Å; Q175-L178 HydrophobicContact CB-CB 4.27Å; Q175-L178 VanDerWaalsContact O-CB 3.25Å; Q175-L178 WeakPolarHBondContact O-CB 3.45Å; Q175-L178 PolarHBondContact O-N 3.37Å; Q175-L199 HydrophobicContact CB-CD2 4.03Å; Q175-L199 VanDerWaalsContact O-CD2 3.3Å; Q175-L199 WeakPolarHBondContact O-CD2 3.4Å
176	S	92.2	Very high	95.4	Very high	53 Å²	53	39.2 Å²	39.2	37%	0.371	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.3	-179.5	54.8	0	0	0	0	114.6	H174 N198 S201	H174-S176 PolarHBondContact O-N 3.2Å; S176-N198 WeakPolarHBondContact CA-O 3.47Å; S176-N198 WeakPolarHBondContact CB-O 3.36Å; S176-S201 WeakPolarHBondContact O-CB 3.32Å; S176-S201 PolarHBondContact O-N 2.98Å; S176-S201 PolarHBondContact O-OG 2.98Å
177	N	95.1	Very high	95.5	Very high	83 Å²	83	39.7 Å²	39.7	44%	0.444	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.5	175	-69.6	-37.4	0	0	0	114.2	Q152 L154 Q175	Q152-N177 PolarHBondContact O-ND2 3.23Å; L154-N177 CarbonylContact O-C 3.57Å; L154-N177 VanDerWaalsContact O-C 3.29Å; Q175-N177 PolarHBondContact O-N 2.95Å; Q175-N177 VanDerWaalsContact O-N 3.08Å
178	L	97.3	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.			trans	-67.2	132.8	-178.2	-160.4	72.3	0	0	0	110.7	L154 L157 Q175 L181 L199 S201 L202	L154-L178 HydrophobicContact CD2-CD1 4.07Å; L154-L178 HydrophobicContact CG-CD1 3.9Å; L154-L178 WeakPolarHBondContact O-CA 3.28Å; L154-L178 PolarHBondContact O-N 3.39Å; L157-L178 HydrophobicContact CB-CD1 3.92Å; L157-L178 HydrophobicContact CB-CD2 4.5Å; Q175-L178 HydrophobicContact CB-CB 4.27Å; Q175-L178 VanDerWaalsContact O-CB 3.25Å; Q175-L178 WeakPolarHBondContact O-CB 3.45Å; Q175-L178 PolarHBondContact O-N 3.37Å; L178-L181 HydrophobicContact CD2-CB 3.92Å; L178-L181 HydrophobicContact CD2-CD1 4.35Å; L178-L181 HydrophobicContact CD2-CD2 4.38Å; L178-L181 HydrophobicContact CD2-CG 4.45Å; L178-L199 HydrophobicContact CB-CD2 4.3Å; L178-L199 HydrophobicContact CD2-CD1 4.32Å; L178-L199 HydrophobicContact CD2-CD2 4.29Å; L178-S201 CarbonylContact O-C 3.59Å; L178-S201 WeakPolarHBondContact O-CB 3.43Å; L178-L202 HydrophobicContact CB-CD1 4.28Å; L178-L202 HydrophobicContact CD2-CD1 4.06Å; L178-L202 HydrophobicContact CG-CD1 4Å; L178-L202 WeakPolarHBondContact O-CA 3.38Å; L178-L202 PolarHBondContact O-N 3.37Å
179	Q	98	Very high	95.6	Very high	79 Å²	79	42 Å²	42	37%	0.369	21%	0.213	S	C	.	.			trans	-113.4	-34.1	-175.5	-64.5	-177.3	-24.1	0	0	112.2	R155 V203 V204	R155-Q179 HydrophobicContact CB-CB 4.42Å; R155-Q179 HydrophobicContact CB-CG 4.33Å; R155-Q179 HydrophobicContact CG-CG 4.48Å; R155-Q179 WeakPolarHBondContact O-CA 3.38Å; R155-Q179 PolarHBondContact O-N 3.4Å; Q179-V203 PolarHBondContact O-N 3.2Å; Q179-V204 PolarHBondContact O-N 3.3Å; Q179-V204 VanDerWaalsContact O-N 3.1Å
180	A	98.5	Very high	95.7	Very high	28 Å²	28	44.1 Å²	44.1	23%	0.231	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.3	173.1	0	0	0	0	0	111.4	R155 L157 V204	R155-A180 PolarHBondContact O-N 3.39Å; L157-A180 PolarHBondContact N-O 3.3Å; L157-A180 VanDerWaalsContact N-O 3.13Å; A180-V204 WeakPolarHBondContact CA-O 3.41Å; A180-V204 HydrophobicContact CB-CB 4.25Å
181	L	98.4	Very high	95.9	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.4	174.2	177.2	59	0	0	0	109.4	L157 L172 L178 L183 F196 L199 L202 V204 L205 H206	L157-L181 HydrophobicContact CB-CD1 4.12Å; L157-L181 HydrophobicContact CD2-CD1 3.99Å; L157-L181 HydrophobicContact CG-CD1 4.05Å; L172-L181 HydrophobicContact CD1-CD2 3.95Å; L172-L181 HydrophobicContact CD2-CD2 4.31Å; L178-L181 HydrophobicContact CD2-CB 3.92Å; L178-L181 HydrophobicContact CD2-CD1 4.35Å; L178-L181 HydrophobicContact CD2-CD2 4.38Å; L178-L181 HydrophobicContact CD2-CG 4.45Å; L181-L183 HydrophobicContact CD1-CG 4.27Å; L181-L183 HydrophobicContact CD2-CD1 4.23Å; L181-L183 HydrophobicContact CG-CD1 4.43Å; L181-L183 HydrophobicContact CG-CG 4.34Å; L181-F196 HydrophobicContact CD2-CD1 4.29Å; L181-F196 HydrophobicContact CD2-CE1 4.04Å; L181-L199 HydrophobicContact CD2-CD1 4.08Å; L181-L202 HydrophobicContact CB-CD1 3.94Å; L181-L202 HydrophobicContact CB-CD2 4.46Å; L181-V204 PolarHBondContact N-O 2.88Å; L181-L205 HydrophobicContact CB-CD1 4.18Å; L181-L205 HydrophobicContact CD2-CD1 4.04Å; L181-L205 HydrophobicContact CG-CD1 4.12Å; L181-L205 WeakPolarHBondContact O-CA 3.49Å; L181-H206 PolarHBondContact O-N 3.46Å
182	T	98.3	Very high	96	Very high	13 Å²	13	43.5 Å²	43.5	8%	0.08	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.9	169	174	0	0	0	0	110.9	L157 W158 L159 D160 A184	L157-T182 PolarHBondContact O-N 3.24Å; W158-T182 HydrophobicContact CB-CG2 3.97Å; W158-T182 VanDerWaalsContact CD1-CG2 3.45Å; W158-T182 HydrophobicContact CG-CG2 3.85Å; L159-T182 PolarHBondContact N-O 3.35Å; D160-T182 HydrophobicContact CB-CG2 4.39Å; D160-T182 WeakPolarHBondContact OD1-CG2 3.49Å; T182-A184 PolarHBondContact OG1-N 3.49Å
183	L	98.3	Very high	96.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.			trans	-124.7	26.1	172.7	-61.5	161.7	0	0	0	109.2	L159 L164 I167 L181 N186 I188 F196 H206 L207 N210	L159-L183 HydrophobicContact CB-CD2 3.79Å; L159-L183 HydrophobicContact CD1-CD2 3.89Å; L164-L183 HydrophobicContact CD1-CD2 3.74Å; I167-L183 HydrophobicContact CG1-CD1 4.32Å; L181-L183 HydrophobicContact CD1-CG 4.27Å; L181-L183 HydrophobicContact CD2-CD1 4.23Å; L181-L183 HydrophobicContact CG-CD1 4.43Å; L181-L183 HydrophobicContact CG-CG 4.34Å; L183-N186 PolarHBondContact O-ND2 2.76Å; L183-I188 HydrophobicContact CB-CD1 3.89Å; L183-I188 HydrophobicContact CD1-CD1 4.37Å; L183-F196 HydrophobicContact CD1-CE1 4.46Å; L183-H206 PolarHBondContact N-O 2.88Å; L183-L207 HydrophobicContact CB-CD2 4.06Å; L183-L207 HydrophobicContact CD1-CD2 4.06Å; L183-N210 PolarHBondContact O-ND2 2.86Å
184	A	98.3	Very high	96.3	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.008	22%	0.224	C	C	.	.			trans	-68.4	165.4	-177.3	0	0	0	0	0	112.5	D160 D161 T182 N186 H208	D160-A184 CarbonylContact C-O 3.56Å; D160-A184 WeakPolarHBondContact CA-O 3.25Å; D160-A184 HydrophobicContact CB-CB 4.09Å; D160-A184 VanDerWaalsContact CB-O 3.3Å; D160-A184 WeakPolarHBondContact CB-O 3.29Å; D161-A184 PolarHBondContact N-O 2.71Å; D161-A184 VanDerWaalsContact N-O 3.08Å; T182-A184 PolarHBondContact OG1-N 3.49Å; A184-N186 PolarHBondContact O-N 2.93Å; A184-N186 VanDerWaalsContact O-N 3.13Å; A184-N186 PolarHBondContact O-ND2 3.36Å; A184-H208 CarbonylContact C-O 3.34Å; A184-H208 WeakPolarHBondContact CA-O 3.42Å; A184-H208 WeakPolarHBondContact CB-NE2 3.42Å; A184-H208 WeakPolarHBondContact CB-O 3.36Å
185	L	98.3	Very high	96.8	Very high	72 Å²	72	39.6 Å²	39.6	38%	0.377	20%	0.204	S	C	.	.	S	Bend	trans	52.3	36.9	179.3	-69.2	79.8	0	0	0	113.1	D161 N162 H208 N209	D161-L185 WeakPolarHBondContact CA-O 3.28Å; D161-L185 HydrophobicContact CB-CB 4.14Å; D161-L185 HydrophobicContact CB-CD2 4.35Å; N162-L185 PolarHBondContact N-O 2.83Å; L185-H208 PolarHBondContact N-O 2.94Å; L185-N209 VanDerWaalsContact CA-O 3.27Å; L185-N209 WeakPolarHBondContact CA-O 3.31Å; L185-N209 HydrophobicContact CB-CB 4.44Å; L185-N209 HydrophobicContact CD1-CB 4.02Å; L185-N209 HydrophobicContact CG-CB 3.85Å; L185-N209 PolarHBondContact N-O 3.46Å
186	N	98.5	Very high	96.9	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.043	20%	0.203	C	C	.	.	S	Bend	trans	-111.9	-161.9	177.8	-88.9	-90.6	0	0	0	110.3	L159 N162 H163 L164 L183 A184 I188 N209 N210	L159-N186 PolarHBondContact O-ND2 2.7Å; N162-N186 WeakPolarHBondContact CA-OD1 3.45Å; N162-N186 VanDerWaalsContact CB-OD1 3.24Å; N162-N186 WeakPolarHBondContact CB-OD1 3.27Å; N162-N186 PolarHBondContact O-OD1 3.26Å; H163-N186 PolarHBondContact N-OD1 3.46Å; L164-N186 HydrophobicContact CB-CB 4.37Å; L164-N186 VanDerWaalsContact CB-OD1 3.25Å; L164-N186 WeakPolarHBondContact CB-OD1 3.46Å; L164-N186 VanDerWaalsContact CG-OD1 3.32Å; L164-N186 WeakPolarHBondContact CG-OD1 3.22Å; L164-N186 PolarHBondContact N-OD1 3.38Å; L183-N186 PolarHBondContact O-ND2 2.76Å; A184-N186 PolarHBondContact O-N 2.93Å; A184-N186 VanDerWaalsContact O-N 3.13Å; A184-N186 PolarHBondContact O-ND2 3.36Å; N186-I188 HydrophobicContact CB-CD1 4.45Å; N186-I188 HydrophobicContact CB-CG1 4.27Å; N186-N209 PolarHBondContact N-O 2.65Å; N186-N210 VanDerWaalsContact CA-OD1 3.31Å; N186-N210 WeakPolarHBondContact CA-OD1 3.47Å; N186-N210 WeakPolarHBondContact CB-OD1 3.35Å; N186-N210 PolarHBondContact N-OD1 3.18Å; N186-N210 PolarHBondContact O-OD1 3.07Å
187	R	97.8	Very high	96.9	Very high	109 Å²	109	38 Å²	38	41%	0.411	20%	0.197	S	C	.	.			trans	-121	23.7	-176.7	-57.7	177.4	-176.7	160.5	4.9	111.6	H163 L164 L189 N210	H163-R187 PolarHBondContact ND1-NH2 2.8Å; L164-R187 CarbonylContact O-C 3.26Å; L164-R187 VanDerWaalsContact O-C 3.23Å; L164-R187 VanDerWaalsContact O-CA 3.27Å; L164-R187 WeakPolarHBondContact O-CA 3.31Å; L164-R187 WeakPolarHBondContact O-CB 3.31Å; L164-R187 PolarHBondContact O-N 3.1Å; R187-L189 PolarHBondContact O-N 3.43Å; R187-N210 PolarHBondContact N-OD1 3.26Å
188	I	98.1	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.			trans	-63.6	128.2	-174.6	-59.1	170.7	0	0	0	109.9	L164 T165 I167 L183 N186 N210 R211 I212	L164-I188 PolarHBondContact O-N 3.2Å; T165-I188 WeakPolarHBondContact O-CA 3.16Å; I167-I188 HydrophobicContact CD1-CG2 4.43Å; I167-I188 HydrophobicContact CG1-CD1 4.1Å; I167-I188 HydrophobicContact CG1-CG2 4.14Å; L183-I188 HydrophobicContact CB-CD1 3.89Å; L183-I188 HydrophobicContact CD1-CD1 4.37Å; N186-I188 HydrophobicContact CB-CD1 4.45Å; N186-I188 HydrophobicContact CB-CG1 4.27Å; I188-N210 HydrophobicContact CB-CB 4.35Å; I188-N210 WeakPolarHBondContact CB-OD1 3.48Å; I188-N210 WeakPolarHBondContact CG1-OD1 3.22Å; I188-N210 PolarHBondContact N-OD1 2.95Å; I188-R211 CarbonylContact O-C 3.27Å; I188-R211 WeakPolarHBondContact O-CA 3.35Å; I188-R211 PolarHBondContact O-N 3.31Å; I188-I212 HydrophobicContact CB-CG1 4.32Å; I188-I212 HydrophobicContact CG2-CG1 4.12Å; I188-I212 WeakPolarHBondContact O-CG1 3.3Å; I188-I212 PolarHBondContact O-N 2.73Å
189	L	96.4	Very high	96.6	Very high	78 Å²	78	38.4 Å²	38.4	41%	0.408	20%	0.199	S	C	.	.			trans	-101.6	-29	-173.7	-76.5	158.9	0	0	0	114.2	T165 R187 R211 I212 K213	T165-L189 PolarHBondContact O-N 3.13Å; R187-L189 PolarHBondContact O-N 3.43Å; L189-R211 HydrophobicContact CD2-CB 4.1Å; L189-I212 WeakPolarHBondContact O-CA 3.44Å; L189-K213 PolarHBondContact O-N 2.71Å
190	Y	96.6	Very high	96.4	Very high	98 Å²	98	37.4 Å²	37.4	38%	0.384	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	147.3	-171.4	173.6	-113.6	0	0	0	110.8	P192 E214	Y190-P192 HydrophobicContact CD1-CB 4.43Å; Y190-P192 VanDerWaalsContact CE1-CA 3.46Å; Y190-P192 HydrophobicContact CE1-CB 3.81Å; Y190-E214 WeakPolarHBondContact CA-O 3.49Å; Y190-E214 HydrophobicContact CD2-CB 3.85Å; Y190-E214 VanDerWaalsContact CD2-O 3.26Å; Y190-E214 WeakPolarHBondContact CD2-O 3.18Å; Y190-E214 HydrophobicContact CE2-CB 4.26Å
191	I	97.3	Very high	96.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.1	170.7	-48.2	-177.1	0	0	0	109.3	I167 A195 F196 L207 I212 E214 I215 G216 C219 F220 L231	I167-I191 HydrophobicContact CD1-CB 4.09Å; I167-I191 HydrophobicContact CD1-CG1 3.95Å; I167-I191 HydrophobicContact CD1-CG2 3.64Å; I191-A195 HydrophobicContact CG2-CB 3.99Å; I191-F196 HydrophobicContact CG2-CE2 3.98Å; I191-L207 HydrophobicContact CD1-CD1 3.75Å; I191-I212 HydrophobicContact CD1-CD1 4.19Å; I191-I212 HydrophobicContact CD1-CG2 4.35Å; I191-I212 HydrophobicContact CG1-CD1 4.27Å; I191-I212 HydrophobicContact CG1-CG2 3.96Å; I191-E214 PolarHBondContact N-O 3.18Å; I191-I215 HydrophobicContact CB-CG1 4.34Å; I191-I215 HydrophobicContact CB-CG2 4.36Å; I191-I215 HydrophobicContact CD1-CD1 3.81Å; I191-I215 HydrophobicContact CD1-CG1 3.83Å; I191-I215 HydrophobicContact CD1-CG2 4.39Å; I191-I215 HydrophobicContact CG1-CG1 4.03Å; I191-G216 PolarHBondContact O-N 3.01Å; I191-C219 HydrophobicContact CB-CB 4.28Å; I191-C219 HydrophobicContact CG2-CB 3.5Å; I191-C219 VanDerWaalsContact CG2-CB 3.5Å; I191-F220 HydrophobicContact CD1-CE1 4.3Å; I191-F220 HydrophobicContact CD1-CZ 4.09Å; I191-L231 HydrophobicContact CD1-CD2 4.17Å
192	P	96.3	Very high	96.3	Very high	39 Å²	39	37.8 Å²	37.8	25%	0.253	20%	0.2	S	C	.	.			trans	-74.1	159.5	178.7	27.7	-31.6	0	0	0	113.7	V169 Y190 A195 C219	V169-P192 HydrophobicContact CG2-CG 4.01Å; Y190-P192 HydrophobicContact CD1-CB 4.43Å; Y190-P192 VanDerWaalsContact CE1-CA 3.46Å; Y190-P192 HydrophobicContact CE1-CB 3.81Å; P192-A195 HydrophobicContact CG-CB 3.99Å; P192-A195 VanDerWaalsContact O-CB 3.26Å; P192-A195 WeakPolarHBondContact O-CB 3.34Å; P192-A195 PolarHBondContact O-N 3.21Å; P192-C219 WeakPolarHBondContact O-CA 3.47Å; P192-C219 WeakPolarHBondContact O-CB 3.35Å
193	D	95.8	Very high	96.4	Very high	68 Å²	68	39.5 Å²	39.5	36%	0.364	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	138.2	171.8	-90.2	11.7	0	0	0	111.6	A195 G216 A217 N218	D193-A195 PolarHBondContact O-N 3.1Å; D193-G216 WeakPolarHBondContact OD1-CA 3.43Å; D193-A217 PolarHBondContact OD1-N 3.35Å; D193-N218 HydrophobicContact CB-CB 4.22Å; D193-N218 PolarHBondContact OD1-N 3.02Å; D193-N218 PolarHBondContact OD2-ND2 3.3Å
194	N	94.4	Very high	96.4	Very high	89 Å²	89	41.4 Å²	41.4	48%	0.476	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	20.1	-175.4	-47.7	-82.5	0	0	0	115.6	F196 G197 N218	N194-F196 PolarHBondContact O-N 3.46Å; N194-G197 PolarHBondContact O-N 3.46Å; N194-N218 PolarHBondContact N-O 3.1Å
195	A	95.4	Very high	96.4	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.025	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-30.7	-179	0	0	0	0	0	114.7	I167 V169 I191 P192 D193 C219	I167-A195 HydrophobicContact CG2-CB 4.37Å; V169-A195 HydrophobicContact CG2-CB 3.99Å; I191-A195 HydrophobicContact CG2-CB 3.99Å; P192-A195 HydrophobicContact CG-CB 3.99Å; P192-A195 VanDerWaalsContact O-CB 3.26Å; P192-A195 WeakPolarHBondContact O-CB 3.34Å; P192-A195 PolarHBondContact O-N 3.21Å; D193-A195 PolarHBondContact O-N 3.1Å; A195-C219 PolarHBondContact N-O 2.85Å
196	F	95.9	Very high	96.4	Very high	3 Å²	3	40.8 Å²	40.8	1%	0.013	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	17.9	-177.8	-51.7	-73.5	0	0	0	113.2	I167 L181 L183 I191 N194 N198 L199 L205 L207 F220 L223	I167-F196 HydrophobicContact CD1-CE1 4.49Å; I167-F196 HydrophobicContact CD1-CE2 4.17Å; I167-F196 HydrophobicContact CD1-CZ 3.66Å; I167-F196 HydrophobicContact CG1-CZ 4.36Å; I167-F196 HydrophobicContact CG2-CE1 3.88Å; I167-F196 HydrophobicContact CG2-CZ 4.12Å; L181-F196 HydrophobicContact CD2-CD1 4.29Å; L181-F196 HydrophobicContact CD2-CE1 4.04Å; L183-F196 HydrophobicContact CD1-CE1 4.46Å; I191-F196 HydrophobicContact CG2-CE2 3.98Å; N194-F196 PolarHBondContact O-N 3.46Å; F196-N198 PolarHBondContact O-N 3.33Å; F196-L199 HydrophobicContact CB-CD1 4.12Å; F196-L199 HydrophobicContact CB-CG 4.49Å; F196-L199 HydrophobicContact CD1-CD1 3.88Å; F196-L199 HydrophobicContact CG-CD1 4.49Å; F196-L199 WeakPolarHBondContact O-CB 3.37Å; F196-L199 PolarHBondContact O-N 3.27Å; F196-L205 HydrophobicContact CD2-CD2 4.04Å; F196-L205 HydrophobicContact CE1-CD1 4.13Å; F196-L205 HydrophobicContact CE1-CD2 4.31Å; F196-L205 HydrophobicContact CE2-CD2 3.82Å; F196-L205 HydrophobicContact CG-CD2 4.37Å; F196-L205 HydrophobicContact CZ-CD1 4.21Å; F196-L205 HydrophobicContact CZ-CD2 3.94Å; F196-L207 HydrophobicContact CZ-CD1 4.39Å; F196-L207 HydrophobicContact CZ-CD2 4.37Å; F196-F220 HydrophobicContact CD2-CD1 4.01Å; F196-F220 HydrophobicContact CD2-CE1 4.3Å; F196-F220 HydrophobicContact CE2-CD1 4.18Å; F196-F220 AromaticContact CE2-CE1 4Å; F196-F220 HydrophobicContact CE2-CE1 4Å; F196-L223 HydrophobicContact CB-CD1 3.92Å; F196-L223 HydrophobicContact CB-CD2 3.74Å; F196-L223 HydrophobicContact CB-CG 3.92Å; F196-L223 HydrophobicContact CD2-CD1 4.18Å; F196-L223 HydrophobicContact CG-CD1 4.26Å
197	G	91.5	Very high	96.4	Very high	23 Å²	23	40.4 Å²	40.4	24%	0.237	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.7	-163.7	0	0	0	0	0	117.3	N194 V221	N194-G197 PolarHBondContact O-N 3.46Å; G197-V221 WeakPolarHBondContact CA-O 3.31Å
198	N	91	Very high	96.4	Very high	91 Å²	91	37 Å²	37	49%	0.487	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-4.5	-179.5	-71.8	11.7	0	0	0	113.8	R173 S176 F196 T200	R173-N198 WeakPolarHBondContact O-CB 3.43Å; R173-N198 PolarHBondContact O-ND2 2.99Å; S176-N198 WeakPolarHBondContact CA-O 3.47Å; S176-N198 WeakPolarHBondContact CB-O 3.36Å; F196-N198 PolarHBondContact O-N 3.33Å; N198-T200 PolarHBondContact O-N 2.88Å
199	L	95.6	Very high	96.4	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.22	C	C	.	.			trans	-82.7	53.7	-176.7	-56.5	-175.3	0	0	0	111.8	L172 Q175 L178 L181 F196 S201 L202 L223	L172-L199 VanDerWaalsContact O-CD2 3.31Å; L172-L199 WeakPolarHBondContact O-CD2 3.04Å; Q175-L199 HydrophobicContact CB-CD2 4.03Å; Q175-L199 VanDerWaalsContact O-CD2 3.3Å; Q175-L199 WeakPolarHBondContact O-CD2 3.4Å; L178-L199 HydrophobicContact CB-CD2 4.3Å; L178-L199 HydrophobicContact CD2-CD1 4.32Å; L178-L199 HydrophobicContact CD2-CD2 4.29Å; L181-L199 HydrophobicContact CD2-CD1 4.08Å; F196-L199 HydrophobicContact CB-CD1 4.12Å; F196-L199 HydrophobicContact CB-CG 4.49Å; F196-L199 HydrophobicContact CD1-CD1 3.88Å; F196-L199 HydrophobicContact CG-CD1 4.49Å; F196-L199 WeakPolarHBondContact O-CB 3.37Å; F196-L199 PolarHBondContact O-N 3.27Å; L199-S201 PolarHBondContact O-N 2.91Å; L199-L202 HydrophobicContact CB-CB 4.11Å; L199-L202 HydrophobicContact CB-CD2 4.41Å; L199-L202 HydrophobicContact CD1-CD2 4.17Å; L199-L202 VanDerWaalsContact O-CB 3.23Å; L199-L202 WeakPolarHBondContact O-CB 3.23Å; L199-L202 PolarHBondContact O-N 3.14Å; L199-L223 HydrophobicContact CB-CD2 3.94Å
200	T	94.5	Very high	96.5	Very high	59 Å²	59	36.9 Å²	36.9	36%	0.362	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.5	-170.4	55.9	0	0	0	0	114.5	N198 N225	N198-T200 PolarHBondContact O-N 2.88Å; T200-N225 PolarHBondContact O-ND2 3.13Å
201	S	96.9	Very high	96.6	Very high	38 Å²	38	39 Å²	39	27%	0.266	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.5	174.3	-55.3	0	0	0	0	114.4	S176 L178 L199 V203	S176-S201 WeakPolarHBondContact O-CB 3.32Å; S176-S201 PolarHBondContact O-N 2.98Å; S176-S201 PolarHBondContact O-OG 2.98Å; L178-S201 CarbonylContact O-C 3.59Å; L178-S201 WeakPolarHBondContact O-CB 3.43Å; L199-S201 PolarHBondContact O-N 2.91Å; S201-V203 PolarHBondContact O-N 3.13Å
202	L	98.1	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.			trans	-70.1	129.2	-171.8	-160.4	74.5	0	0	0	110.9	L178 L181 L199 L205 L223 N225 L226	L178-L202 HydrophobicContact CB-CD1 4.28Å; L178-L202 HydrophobicContact CD2-CD1 4.06Å; L178-L202 HydrophobicContact CG-CD1 4Å; L178-L202 WeakPolarHBondContact O-CA 3.38Å; L178-L202 PolarHBondContact O-N 3.37Å; L181-L202 HydrophobicContact CB-CD1 3.94Å; L181-L202 HydrophobicContact CB-CD2 4.46Å; L199-L202 HydrophobicContact CB-CB 4.11Å; L199-L202 HydrophobicContact CB-CD2 4.41Å; L199-L202 HydrophobicContact CD1-CD2 4.17Å; L199-L202 VanDerWaalsContact O-CB 3.23Å; L199-L202 WeakPolarHBondContact O-CB 3.23Å; L199-L202 PolarHBondContact O-N 3.14Å; L202-L205 HydrophobicContact CD2-CB 4.03Å; L202-L205 HydrophobicContact CD2-CD1 4.4Å; L202-L205 HydrophobicContact CD2-CD2 4.47Å; L202-L223 HydrophobicContact CB-CD2 3.96Å; L202-L223 HydrophobicContact CD2-CD2 3.74Å; L202-L223 HydrophobicContact CG-CD2 4.5Å; L202-N225 CarbonylContact O-C 3.06Å; L202-L226 HydrophobicContact CB-CD1 4.32Å; L202-L226 HydrophobicContact CD2-CD1 3.96Å; L202-L226 HydrophobicContact CG-CD1 3.99Å; L202-L226 VanDerWaalsContact O-CA 3.29Å; L202-L226 WeakPolarHBondContact O-CA 3.3Å; L202-L226 PolarHBondContact O-N 3.16Å; L202-L226 VanDerWaalsContact O-N 3.1Å
203	V	98.4	Very high	96.6	Very high	49 Å²	49	42 Å²	42	30%	0.297	22%	0.22	S	C	.	.			trans	-107.9	-37.4	-179.6	-178.8	0	0	0	0	110.6	Q179 S201 E227 T228	Q179-V203 PolarHBondContact O-N 3.2Å; S201-V203 PolarHBondContact O-N 3.13Å; V203-E227 HydrophobicContact CG1-CB 3.99Å; V203-E227 HydrophobicContact CG1-CG 3.95Å; V203-E227 PolarHBondContact O-N 3.09Å; V203-T228 PolarHBondContact O-N 2.87Å
204	V	98.6	Very high	96.5	Very high	41 Å²	41	45.1 Å²	45.1	25%	0.248	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.3	-175.7	-177.6	0	0	0	0	110.7	Q179 A180 L181 H206 T228	Q179-V204 PolarHBondContact O-N 3.3Å; Q179-V204 VanDerWaalsContact O-N 3.1Å; A180-V204 WeakPolarHBondContact CA-O 3.41Å; A180-V204 HydrophobicContact CB-CB 4.25Å; L181-V204 PolarHBondContact N-O 2.88Å; V204-H206 VanDerWaalsContact CG1-NE2 3.26Å; V204-H206 WeakPolarHBondContact CG1-NE2 3.03Å; V204-T228 HydrophobicContact CG1-CG2 4.49Å
205	L	98.6	Very high	96.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	112.4	174.8	178.2	56	0	0	0	110.7	L181 F196 L202 L207 F220 L223 L226 T228 L229 D230	L181-L205 HydrophobicContact CB-CD1 4.18Å; L181-L205 HydrophobicContact CD2-CD1 4.04Å; L181-L205 HydrophobicContact CG-CD1 4.12Å; L181-L205 WeakPolarHBondContact O-CA 3.49Å; F196-L205 HydrophobicContact CD2-CD2 4.04Å; F196-L205 HydrophobicContact CE1-CD1 4.13Å; F196-L205 HydrophobicContact CE1-CD2 4.31Å; F196-L205 HydrophobicContact CE2-CD2 3.82Å; F196-L205 HydrophobicContact CG-CD2 4.37Å; F196-L205 HydrophobicContact CZ-CD1 4.21Å; F196-L205 HydrophobicContact CZ-CD2 3.94Å; L202-L205 HydrophobicContact CD2-CB 4.03Å; L202-L205 HydrophobicContact CD2-CD1 4.4Å; L202-L205 HydrophobicContact CD2-CD2 4.47Å; L205-L207 HydrophobicContact CD1-CD2 4.2Å; L205-L207 HydrophobicContact CD1-CG 4.17Å; L205-L207 HydrophobicContact CD2-CD1 4.18Å; L205-L207 HydrophobicContact CG-CD1 4.17Å; L205-L207 HydrophobicContact CG-CG 4.13Å; L205-F220 HydrophobicContact CD2-CD1 4.39Å; L205-F220 HydrophobicContact CD2-CE1 4.15Å; L205-L223 HydrophobicContact CD2-CD1 3.9Å; L205-L226 HydrophobicContact CB-CD1 3.83Å; L205-L226 HydrophobicContact CB-CD2 4.34Å; L205-T228 PolarHBondContact N-O 2.89Å; L205-L229 HydrophobicContact CB-CD1 4.23Å; L205-L229 HydrophobicContact CD2-CD1 4.02Å; L205-L229 HydrophobicContact CG-CD1 4.09Å; L205-D230 PolarHBondContact O-N 2.86Å
206	H	98.8	Very high	96.6	Very high	59 Å²	59	42.7 Å²	42.7	27%	0.273	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.5	176.7	-64.5	177.3	0	0	0	111.7	L181 L183 V204	L181-H206 PolarHBondContact O-N 3.46Å; L183-H206 PolarHBondContact N-O 2.88Å; V204-H206 VanDerWaalsContact CG1-NE2 3.26Å; V204-H206 WeakPolarHBondContact CG1-NE2 3.03Å
207	L	98.4	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.			trans	-129	11.6	179.9	-61.6	171.3	0	0	0	111.9	L183 I191 F196 L205 N210 I212 F220 D230 L231 N234	L183-L207 HydrophobicContact CB-CD2 4.06Å; L183-L207 HydrophobicContact CD1-CD2 4.06Å; I191-L207 HydrophobicContact CD1-CD1 3.75Å; F196-L207 HydrophobicContact CZ-CD1 4.39Å; F196-L207 HydrophobicContact CZ-CD2 4.37Å; L205-L207 HydrophobicContact CD1-CD2 4.2Å; L205-L207 HydrophobicContact CD1-CG 4.17Å; L205-L207 HydrophobicContact CD2-CD1 4.18Å; L205-L207 HydrophobicContact CG-CD1 4.17Å; L205-L207 HydrophobicContact CG-CG 4.13Å; L207-N210 PolarHBondContact O-ND2 3.1Å; L207-I212 HydrophobicContact CB-CD1 4.09Å; L207-F220 HydrophobicContact CD1-CE1 4.39Å; L207-D230 CarbonylContact C-O 3.19Å; L207-D230 WeakPolarHBondContact CA-O 3.27Å; L207-D230 WeakPolarHBondContact CB-O 3.05Å; L207-D230 PolarHBondContact N-O 3.23Å; L207-L231 HydrophobicContact CB-CD2 4.04Å; L207-L231 HydrophobicContact CD1-CD2 3.76Å; L207-N234 PolarHBondContact O-ND2 3.39Å; L207-N234 VanDerWaalsContact O-ND2 3.11Å
208	H	98.4	Very high	96.7	Very high	39 Å²	39	48.6 Å²	48.6	18%	0.181	26%	0.256	C	S	.	.			trans	-67.1	161.3	-175.7	69.4	85.9	0	0	0	113.9	A184 L185 N210 D230 N232	A184-H208 CarbonylContact C-O 3.34Å; A184-H208 WeakPolarHBondContact CA-O 3.42Å; A184-H208 WeakPolarHBondContact CB-NE2 3.42Å; A184-H208 WeakPolarHBondContact CB-O 3.36Å; L185-H208 PolarHBondContact N-O 2.94Å; H208-N210 VanDerWaalsContact C-N 3.29Å; H208-N210 PolarHBondContact O-N 3.13Å; H208-N210 PolarHBondContact O-ND2 3.15Å; H208-D230 WeakPolarHBondContact CB-OD1 3.24Å; H208-D230 IonicContact CD2-OD2 2.69Å; H208-D230 PolarHBondContact CD2-OD2 2.9Å; H208-D230 VanDerWaalsContact CD2-OD2 3.29Å; H208-D230 IonicContact CG-OD2 2.78Å; H208-D230 PolarHBondContact N-O 3.35Å; H208-N232 CarbonylContact C-O 3.05Å; H208-N232 WeakPolarHBondContact CA-O 3.5Å; H208-N232 HydrophobicContact CB-CB 4.15Å; H208-N232 VanDerWaalsContact CB-O 3.24Å; H208-N232 WeakPolarHBondContact CB-O 2.81Å
209	N	98.4	Very high	96.9	Very high	63 Å²	63	44.2 Å²	44.2	34%	0.337	23%	0.233	S	C	.	.	S	Bend	trans	53.8	43.2	-176.7	-65.2	-46.5	0	0	0	112.9	L185 N186 N232 F233	L185-N209 VanDerWaalsContact CA-O 3.27Å; L185-N209 WeakPolarHBondContact CA-O 3.31Å; L185-N209 HydrophobicContact CB-CB 4.44Å; L185-N209 HydrophobicContact CD1-CB 4.02Å; L185-N209 HydrophobicContact CG-CB 3.85Å; L185-N209 PolarHBondContact N-O 3.46Å; N186-N209 PolarHBondContact N-O 2.65Å; N209-N232 PolarHBondContact N-O 3.35Å; N209-N232 VanDerWaalsContact N-O 3.08Å; N209-F233 VanDerWaalsContact CA-O 3.27Å; N209-F233 WeakPolarHBondContact CA-O 3.43Å; N209-F233 PolarHBondContact N-O 2.96Å; N209-F233 WeakPolarHBondContact OD1-CB 3.41Å; N209-F233 WeakPolarHBondContact OD1-CD2 3.19Å; N209-F233 WeakPolarHBondContact OD1-CG 3.29Å
210	N	98.6	Very high	97	Very high	11 Å²	11	44.2 Å²	44.2	6%	0.059	23%	0.233	C	C	.	.	S	Bend	trans	-109.7	-158.9	172.8	-88.9	-80.3	0	0	0	109.9	L183 N186 R187 I188 L207 H208 I212 F233 N234	L183-N210 PolarHBondContact O-ND2 2.86Å; N186-N210 VanDerWaalsContact CA-OD1 3.31Å; N186-N210 WeakPolarHBondContact CA-OD1 3.47Å; N186-N210 WeakPolarHBondContact CB-OD1 3.35Å; N186-N210 PolarHBondContact N-OD1 3.18Å; N186-N210 PolarHBondContact O-OD1 3.07Å; R187-N210 PolarHBondContact N-OD1 3.26Å; I188-N210 HydrophobicContact CB-CB 4.35Å; I188-N210 WeakPolarHBondContact CB-OD1 3.48Å; I188-N210 WeakPolarHBondContact CG1-OD1 3.22Å; I188-N210 PolarHBondContact N-OD1 2.95Å; L207-N210 PolarHBondContact O-ND2 3.1Å; H208-N210 VanDerWaalsContact C-N 3.29Å; H208-N210 PolarHBondContact O-N 3.13Å; H208-N210 PolarHBondContact O-ND2 3.15Å; N210-I212 HydrophobicContact CB-CD1 4.05Å; N210-I212 HydrophobicContact CB-CG1 3.9Å; N210-F233 PolarHBondContact N-O 2.96Å; N210-N234 WeakPolarHBondContact CA-OD1 3.45Å; N210-N234 WeakPolarHBondContact CB-OD1 3.5Å
211	R	97.6	Very high	97	Very high	144 Å²	144	44.1 Å²	44.1	54%	0.543	23%	0.232	S	C	.	.			trans	-127.8	29.2	178.7	-59.8	-175.1	178.6	-154.9	-4.9	111	I188 L189 K213 N234	I188-R211 CarbonylContact O-C 3.27Å; I188-R211 WeakPolarHBondContact O-CA 3.35Å; I188-R211 PolarHBondContact O-N 3.31Å; L189-R211 HydrophobicContact CD2-CB 4.1Å; R211-K213 PolarHBondContact O-N 3.02Å; R211-N234 PolarHBondContact N-OD1 2.99Å
212	I	98.2	Very high	96.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.			trans	-68.6	119.9	-171.3	-55.7	165.7	0	0	0	107.9	I188 L189 I191 L207 N210 I215 L231 N234 N235 L236	I188-I212 HydrophobicContact CB-CG1 4.32Å; I188-I212 HydrophobicContact CG2-CG1 4.12Å; I188-I212 WeakPolarHBondContact O-CG1 3.3Å; I188-I212 PolarHBondContact O-N 2.73Å; L189-I212 WeakPolarHBondContact O-CA 3.44Å; I191-I212 HydrophobicContact CD1-CD1 4.19Å; I191-I212 HydrophobicContact CD1-CG2 4.35Å; I191-I212 HydrophobicContact CG1-CD1 4.27Å; I191-I212 HydrophobicContact CG1-CG2 3.96Å; L207-I212 HydrophobicContact CB-CD1 4.09Å; N210-I212 HydrophobicContact CB-CD1 4.05Å; N210-I212 HydrophobicContact CB-CG1 3.9Å; I212-I215 HydrophobicContact CG2-CD1 4.24Å; I212-I215 HydrophobicContact CG2-CG1 3.79Å; I212-L231 HydrophobicContact CD1-CD2 4.43Å; I212-N234 HydrophobicContact CB-CB 4.38Å; I212-N234 WeakPolarHBondContact CB-OD1 3.32Å; I212-N234 VanDerWaalsContact CG1-OD1 3.29Å; I212-N234 WeakPolarHBondContact CG1-OD1 2.92Å; I212-N234 PolarHBondContact N-OD1 3.45Å; I212-N235 CarbonylContact O-C 3.45Å; I212-N235 WeakPolarHBondContact O-CA 3.43Å; I212-N235 PolarHBondContact O-N 2.84Å; I212-L236 HydrophobicContact CB-CD2 4.33Å; I212-L236 HydrophobicContact CG2-CD2 3.77Å; I212-L236 PolarHBondContact O-N 3.44Å
213	K	95.6	Very high	96.7	Very high	101 Å²	101	43.2 Å²	43.2	44%	0.439	23%	0.228	S	C	.	.			trans	-103.1	-35.9	-180	-71.2	165.3	-175.9	172.3	0	112.7	L189 R211 N235	L189-K213 PolarHBondContact O-N 2.71Å; R211-K213 PolarHBondContact O-N 3.02Å; K213-N235 WeakPolarHBondContact CA-O 3.34Å; K213-N235 HydrophobicContact CG-CB 3.78Å
214	E	93.8	Very high	96.5	Very high	133 Å²	133	44.4 Å²	44.4	62%	0.621	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.9	-170.9	-73.2	167.7	-140.7	0	0	109	Y190 I191	Y190-E214 WeakPolarHBondContact CA-O 3.49Å; Y190-E214 HydrophobicContact CD2-CB 3.85Å; Y190-E214 VanDerWaalsContact CD2-O 3.26Å; Y190-E214 WeakPolarHBondContact CD2-O 3.18Å; Y190-E214 HydrophobicContact CE2-CB 4.26Å; I191-E214 PolarHBondContact N-O 3.18Å
215	I	96.3	Very high	96.4	Very high	35 Å²	35	45 Å²	45	18%	0.179	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	127.9	-176	-67.8	-175.8	0	0	0	107.3	I191 I212 C219 F220 L231 L236 P240 A242	I191-I215 HydrophobicContact CB-CG1 4.34Å; I191-I215 HydrophobicContact CB-CG2 4.36Å; I191-I215 HydrophobicContact CD1-CD1 3.81Å; I191-I215 HydrophobicContact CD1-CG1 3.83Å; I191-I215 HydrophobicContact CD1-CG2 4.39Å; I191-I215 HydrophobicContact CG1-CG1 4.03Å; I212-I215 HydrophobicContact CG2-CD1 4.24Å; I212-I215 HydrophobicContact CG2-CG1 3.79Å; I215-C219 HydrophobicContact CG2-CB 4.3Å; I215-C219 WeakPolarHBondContact CG2-SG 3.47Å; I215-F220 HydrophobicContact CG2-CE2 4.46Å; I215-L231 HydrophobicContact CD1-CD1 4.12Å; I215-L231 HydrophobicContact CD1-CD2 4.1Å; I215-L236 HydrophobicContact CD1-CD1 3.96Å; I215-L236 HydrophobicContact CD1-CD2 3.54Å; I215-L236 HydrophobicContact CD1-CG 4.42Å; I215-L236 HydrophobicContact CG1-CD2 3.71Å; I215-P240 HydrophobicContact CD1-CB 4.26Å; I215-A242 HydrophobicContact CG2-CB 4.27Å
216	G	94.9	Very high	96.4	Very high	6 Å²	6	45 Å²	45	6%	0.062	24%	0.238	C	C	.	.			trans	-61.9	138.9	174.9	0	0	0	0	0	111.9	I191 D193 N218 C219	I191-G216 PolarHBondContact O-N 3.01Å; D193-G216 WeakPolarHBondContact OD1-CA 3.43Å; G216-N218 PolarHBondContact O-N 3.44Å; G216-N218 VanDerWaalsContact O-N 3.1Å; G216-C219 WeakPolarHBondContact O-CB 3.17Å; G216-C219 PolarHBondContact O-N 3.46Å; G216-C219 VanDerWaalsContact O-N 3.09Å; G216-C219 PolarHBondContact O-SG 3.4Å
217	A	93.9	Very high	96.4	Very high	74 Å²	74	45.1 Å²	45.1	61%	0.612	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26	-175.7	0	0	0	0	0	113.5	D193 A242	D193-A217 PolarHBondContact OD1-N 3.35Å; A217-A242 WeakPolarHBondContact O-CB 3.46Å
218	N	95.7	Very high	96.4	Very high	76 Å²	76	46.5 Å²	46.5	41%	0.406	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	18.9	-179.6	-51.6	-78.9	0	0	0	112.7	D193 N194 G216 F220 V221	D193-N218 HydrophobicContact CB-CB 4.22Å; D193-N218 PolarHBondContact OD1-N 3.02Å; D193-N218 PolarHBondContact OD2-ND2 3.3Å; N194-N218 PolarHBondContact N-O 3.1Å; G216-N218 PolarHBondContact O-N 3.44Å; G216-N218 VanDerWaalsContact O-N 3.1Å; N218-F220 VanDerWaalsContact C-N 3.32Å; N218-F220 PolarHBondContact O-N 3.11Å; N218-V221 HydrophobicContact CB-CG2 3.83Å; N218-V221 WeakPolarHBondContact O-CB 3.38Å; N218-V221 PolarHBondContact O-N 3.49Å
219	C	96.2	Very high	96.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-34.2	-174.1	64.3	0	0	0	0	115	I191 P192 A195 I215 G216 A242	I191-C219 HydrophobicContact CB-CB 4.28Å; I191-C219 HydrophobicContact CG2-CB 3.5Å; I191-C219 VanDerWaalsContact CG2-CB 3.5Å; P192-C219 WeakPolarHBondContact O-CA 3.47Å; P192-C219 WeakPolarHBondContact O-CB 3.35Å; A195-C219 PolarHBondContact N-O 2.85Å; I215-C219 HydrophobicContact CG2-CB 4.3Å; I215-C219 WeakPolarHBondContact CG2-SG 3.47Å; G216-C219 WeakPolarHBondContact O-CB 3.17Å; G216-C219 PolarHBondContact O-N 3.46Å; G216-C219 VanDerWaalsContact O-N 3.09Å; G216-C219 PolarHBondContact O-SG 3.4Å; C219-A242 VanDerWaalsContact SG-CB 3.53Å
220	F	96.8	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	2.7	-178	-57.8	-47.6	0	0	0	113.6	I191 F196 L205 L207 I215 N218 G222 L223 L229 L231 A242 L246	I191-F220 HydrophobicContact CD1-CE1 4.3Å; I191-F220 HydrophobicContact CD1-CZ 4.09Å; F196-F220 HydrophobicContact CD2-CD1 4.01Å; F196-F220 HydrophobicContact CD2-CE1 4.3Å; F196-F220 HydrophobicContact CE2-CD1 4.18Å; F196-F220 AromaticContact CE2-CE1 4Å; F196-F220 HydrophobicContact CE2-CE1 4Å; L205-F220 HydrophobicContact CD2-CD1 4.39Å; L205-F220 HydrophobicContact CD2-CE1 4.15Å; L207-F220 HydrophobicContact CD1-CE1 4.39Å; I215-F220 HydrophobicContact CG2-CE2 4.46Å; N218-F220 VanDerWaalsContact C-N 3.32Å; N218-F220 PolarHBondContact O-N 3.11Å; F220-G222 PolarHBondContact O-N 3.01Å; F220-L223 HydrophobicContact CB-CD1 4.14Å; F220-L223 HydrophobicContact CD1-CD1 3.87Å; F220-L223 HydrophobicContact CG-CD1 4.42Å; F220-L223 WeakPolarHBondContact O-CB 3.03Å; F220-L223 PolarHBondContact O-N 3.19Å; F220-L223 VanDerWaalsContact O-N 3.16Å; F220-L229 HydrophobicContact CD2-CD2 4.24Å; F220-L229 HydrophobicContact CE1-CD1 4.15Å; F220-L229 HydrophobicContact CE1-CD2 4.43Å; F220-L229 HydrophobicContact CE2-CD2 3.74Å; F220-L229 HydrophobicContact CZ-CD1 4.11Å; F220-L229 HydrophobicContact CZ-CD2 3.85Å; F220-L231 HydrophobicContact CZ-CD1 4.37Å; F220-L231 HydrophobicContact CZ-CD2 4.48Å; F220-A242 HydrophobicContact CD2-CB 3.73Å; F220-A242 HydrophobicContact CE2-CB 4.21Å; F220-L246 HydrophobicContact CB-CD1 4.33Å; F220-L246 HydrophobicContact CB-CD2 4.04Å; F220-L246 HydrophobicContact CB-CG 4.28Å; F220-L246 HydrophobicContact CD2-CD1 4.27Å; F220-L246 HydrophobicContact CG-CD1 4.39Å
221	V	94.8	Very high	96.4	Very high	57 Å²	57	42.4 Å²	42.4	35%	0.345	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	133.2	172.4	173.7	0	0	0	0	108.9	G197 N218 A245	G197-V221 WeakPolarHBondContact CA-O 3.31Å; N218-V221 HydrophobicContact CB-CG2 3.83Å; N218-V221 WeakPolarHBondContact O-CB 3.38Å; N218-V221 PolarHBondContact O-N 3.49Å; V221-A245 HydrophobicContact CG2-CB 4.1Å
222	G	92	Very high	96.4	Very high	18 Å²	18	36.2 Å²	36.2	19%	0.186	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.2	-22.6	-174.4	0	0	0	0	0	114.6	F220 V224	F220-G222 PolarHBondContact O-N 3.01Å; G222-V224 PolarHBondContact O-N 3.45Å
223	L	96.3	Very high	96.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.224	C	C	.	.			trans	-78.7	49.2	-179.2	-64.3	-176.5	0	0	0	113.6	F196 L199 L202 L205 F220 N225 L226 L246	F196-L223 HydrophobicContact CB-CD1 3.92Å; F196-L223 HydrophobicContact CB-CD2 3.74Å; F196-L223 HydrophobicContact CB-CG 3.92Å; F196-L223 HydrophobicContact CD2-CD1 4.18Å; F196-L223 HydrophobicContact CG-CD1 4.26Å; L199-L223 HydrophobicContact CB-CD2 3.94Å; L202-L223 HydrophobicContact CB-CD2 3.96Å; L202-L223 HydrophobicContact CD2-CD2 3.74Å; L202-L223 HydrophobicContact CG-CD2 4.5Å; L205-L223 HydrophobicContact CD2-CD1 3.9Å; F220-L223 HydrophobicContact CB-CD1 4.14Å; F220-L223 HydrophobicContact CD1-CD1 3.87Å; F220-L223 HydrophobicContact CG-CD1 4.42Å; F220-L223 WeakPolarHBondContact O-CB 3.03Å; F220-L223 PolarHBondContact O-N 3.19Å; F220-L223 VanDerWaalsContact O-N 3.16Å; L223-N225 PolarHBondContact O-N 3.27Å; L223-L226 HydrophobicContact CB-CB 4.18Å; L223-L226 HydrophobicContact CD1-CD2 4.18Å; L223-L226 WeakPolarHBondContact O-CB 3.47Å; L223-L226 PolarHBondContact O-N 2.93Å; L223-L226 VanDerWaalsContact O-N 3.13Å; L223-L246 HydrophobicContact CB-CD2 3.64Å
224	V	94.4	Very high	96.6	Very high	75 Å²	75	36.4 Å²	36.4	46%	0.455	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.4	-171.4	-61.4	0	0	0	0	115.5	G222	G222-V224 PolarHBondContact O-N 3.45Å
225	N	97.2	Very high	96.8	Very high	53 Å²	53	33 Å²	33	28%	0.283	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	6	178.2	-73.5	-56	0	0	0	114.1	T200 L202 L223 E227 K248	T200-N225 PolarHBondContact O-ND2 3.13Å; L202-N225 CarbonylContact O-C 3.06Å; L223-N225 PolarHBondContact O-N 3.27Å; N225-E227 PolarHBondContact O-N 3.31Å; N225-K248 PolarHBondContact OD1-NZ 3.2Å
226	L	98.3	Very high	96.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.183	C	C	.	.			trans	-68.9	129.6	-176.3	-157	78.8	0	0	0	111.3	L202 L205 L223 L229 L246 K248 L249	L202-L226 HydrophobicContact CB-CD1 4.32Å; L202-L226 HydrophobicContact CD2-CD1 3.96Å; L202-L226 HydrophobicContact CG-CD1 3.99Å; L202-L226 VanDerWaalsContact O-CA 3.29Å; L202-L226 WeakPolarHBondContact O-CA 3.3Å; L202-L226 PolarHBondContact O-N 3.16Å; L202-L226 VanDerWaalsContact O-N 3.1Å; L205-L226 HydrophobicContact CB-CD1 3.83Å; L205-L226 HydrophobicContact CB-CD2 4.34Å; L223-L226 HydrophobicContact CB-CB 4.18Å; L223-L226 HydrophobicContact CD1-CD2 4.18Å; L223-L226 WeakPolarHBondContact O-CB 3.47Å; L223-L226 PolarHBondContact O-N 2.93Å; L223-L226 VanDerWaalsContact O-N 3.13Å; L226-L229 HydrophobicContact CD2-CB 3.93Å; L226-L229 HydrophobicContact CD2-CD1 4.38Å; L226-L246 HydrophobicContact CB-CD2 4.09Å; L226-L246 HydrophobicContact CD2-CD1 4.04Å; L226-L246 HydrophobicContact CD2-CD2 4.06Å; L226-K248 CarbonylContact O-C 3.49Å; L226-K248 VanDerWaalsContact O-C 3.26Å; L226-L249 HydrophobicContact CD2-CD1 4.4Å; L226-L249 PolarHBondContact O-N 3.41Å
227	E	98.2	Very high	96.8	Very high	60 Å²	60	37.8 Å²	37.8	28%	0.28	21%	0.209	S	C	.	.			trans	-113.1	-30.4	178.9	-58.5	-165	156.7	0	0	112.1	V203 N225 K250 E251	V203-E227 HydrophobicContact CG1-CB 3.99Å; V203-E227 HydrophobicContact CG1-CG 3.95Å; V203-E227 PolarHBondContact O-N 3.09Å; N225-E227 PolarHBondContact O-N 3.31Å; E227-K250 HydrophobicContact CB-CD 4.24Å; E227-K250 HydrophobicContact CB-CG 4.43Å; E227-K250 HydrophobicContact CG-CD 4.43Å; E227-K250 PolarHBondContact O-N 3.45Å; E227-K250 VanDerWaalsContact OE1-CE 3.31Å; E227-K250 WeakPolarHBondContact OE1-CE 3.41Å; E227-K250 IonicContact OE1-NZ 3.01Å; E227-K250 PolarHBondContact OE1-NZ 2.74Å; E227-K250 WeakPolarHBondContact OE2-CE 3.48Å; E227-K250 IonicContact OE2-NZ 3.87Å; E227-K250 PolarHBondContact OE2-NZ 3.4Å; E227-E251 PolarHBondContact O-N 3.2Å
228	T	98.6	Very high	96.9	Very high	29 Å²	29	41 Å²	41	18%	0.178	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.1	177.5	-60.7	0	0	0	0	111	V203 V204 L205 E251	V203-T228 PolarHBondContact O-N 2.87Å; V204-T228 HydrophobicContact CG1-CG2 4.49Å; L205-T228 PolarHBondContact N-O 2.89Å; T228-E251 WeakPolarHBondContact CA-O 3.22Å; T228-E251 HydrophobicContact CG2-CB 4.23Å; T228-E251 HydrophobicContact CG2-CG 4.14Å
229	L	98.6	Very high	96.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122	171.5	176.9	60.3	0	0	0	110.2	L205 F220 L226 L231 I243 L246 L249 E251 L252 G253	L205-L229 HydrophobicContact CB-CD1 4.23Å; L205-L229 HydrophobicContact CD2-CD1 4.02Å; L205-L229 HydrophobicContact CG-CD1 4.09Å; F220-L229 HydrophobicContact CD2-CD2 4.24Å; F220-L229 HydrophobicContact CE1-CD1 4.15Å; F220-L229 HydrophobicContact CE1-CD2 4.43Å; F220-L229 HydrophobicContact CE2-CD2 3.74Å; F220-L229 HydrophobicContact CZ-CD1 4.11Å; F220-L229 HydrophobicContact CZ-CD2 3.85Å; L226-L229 HydrophobicContact CD2-CB 3.93Å; L226-L229 HydrophobicContact CD2-CD1 4.38Å; L229-L231 HydrophobicContact CD1-CG 4.37Å; L229-L231 HydrophobicContact CD2-CD1 4.13Å; L229-L231 HydrophobicContact CG-CD1 4.33Å; L229-L231 HydrophobicContact CG-CG 4.3Å; L229-I243 HydrophobicContact CD2-CG2 4.07Å; L229-L246 HydrophobicContact CD2-CD1 3.82Å; L229-L249 HydrophobicContact CB-CD1 3.85Å; L229-E251 PolarHBondContact N-O 3.22Å; L229-L252 HydrophobicContact CB-CD1 4.32Å; L229-L252 HydrophobicContact CD2-CD1 4.11Å; L229-L252 HydrophobicContact CG-CD1 4.3Å; L229-L252 WeakPolarHBondContact O-CA 3.16Å; L229-G253 PolarHBondContact O-N 2.93Å
230	D	98.6	Very high	96.9	Very high	27 Å²	27	38.3 Å²	38.3	14%	0.144	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.4	177.1	-170.4	-10.4	0	0	0	112.2	L205 L207 H208 N232	L205-D230 PolarHBondContact O-N 2.86Å; L207-D230 CarbonylContact C-O 3.19Å; L207-D230 WeakPolarHBondContact CA-O 3.27Å; L207-D230 WeakPolarHBondContact CB-O 3.05Å; L207-D230 PolarHBondContact N-O 3.23Å; H208-D230 WeakPolarHBondContact CB-OD1 3.24Å; H208-D230 IonicContact CD2-OD2 2.69Å; H208-D230 PolarHBondContact CD2-OD2 2.9Å; H208-D230 VanDerWaalsContact CD2-OD2 3.29Å; H208-D230 IonicContact CG-OD2 2.78Å; H208-D230 PolarHBondContact N-O 3.35Å; D230-N232 VanDerWaalsContact CG-ND2 3.29Å; D230-N232 WeakPolarHBondContact OD1-CB 3.25Å; D230-N232 PolarHBondContact OD1-N 3.18Å; D230-N232 PolarHBondContact OD1-ND2 3.39Å; D230-N232 PolarHBondContact OD2-ND2 3.19Å
231	L	98.3	Very high	96.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.22	C	C	.	.			trans	-115.3	13.9	173.2	-63.2	163.1	0	0	0	112.5	I191 L207 I212 I215 F220 L229 N234 L236 P240 G253 F254 N257	I191-L231 HydrophobicContact CD1-CD2 4.17Å; L207-L231 HydrophobicContact CB-CD2 4.04Å; L207-L231 HydrophobicContact CD1-CD2 3.76Å; I212-L231 HydrophobicContact CD1-CD2 4.43Å; I215-L231 HydrophobicContact CD1-CD1 4.12Å; I215-L231 HydrophobicContact CD1-CD2 4.1Å; F220-L231 HydrophobicContact CZ-CD1 4.37Å; F220-L231 HydrophobicContact CZ-CD2 4.48Å; L229-L231 HydrophobicContact CD1-CG 4.37Å; L229-L231 HydrophobicContact CD2-CD1 4.13Å; L229-L231 HydrophobicContact CG-CD1 4.33Å; L229-L231 HydrophobicContact CG-CG 4.3Å; L231-N234 PolarHBondContact O-ND2 3.16Å; L231-L236 HydrophobicContact CB-CD1 4.2Å; L231-L236 HydrophobicContact CD1-CD1 4.31Å; L231-P240 HydrophobicContact CD1-CB 4.41Å; L231-P240 HydrophobicContact CD1-CG 4.35Å; L231-G253 WeakPolarHBondContact CA-O 3.29Å; L231-G253 WeakPolarHBondContact CB-O 3.38Å; L231-G253 PolarHBondContact N-O 3.2Å; L231-F254 HydrophobicContact CB-CB 4.39Å; L231-N257 PolarHBondContact O-ND2 2.98Å
232	N	98.3	Very high	96.9	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.07	21%	0.206	C	C	.	.			trans	-58.2	152.8	-177.9	-61.4	-38.9	0	0	0	112.1	H208 N209 D230 N234 G253 F254 H255	H208-N232 CarbonylContact C-O 3.05Å; H208-N232 WeakPolarHBondContact CA-O 3.5Å; H208-N232 HydrophobicContact CB-CB 4.15Å; H208-N232 VanDerWaalsContact CB-O 3.24Å; H208-N232 WeakPolarHBondContact CB-O 2.81Å; N209-N232 PolarHBondContact N-O 3.35Å; N209-N232 VanDerWaalsContact N-O 3.08Å; D230-N232 VanDerWaalsContact CG-ND2 3.29Å; D230-N232 WeakPolarHBondContact OD1-CB 3.25Å; D230-N232 PolarHBondContact OD1-N 3.18Å; D230-N232 PolarHBondContact OD1-ND2 3.39Å; D230-N232 PolarHBondContact OD2-ND2 3.19Å; N232-N234 PolarHBondContact O-ND2 3.4Å; N232-G253 WeakPolarHBondContact OD1-CA 3.41Å; N232-F254 PolarHBondContact OD1-N 3.41Å; N232-H255 WeakPolarHBondContact CA-O 3.21Å; N232-H255 PolarHBondContact ND2-CD2 3.47Å; N232-H255 PolarHBondContact OD1-CD2 3.21Å; N232-H255 PolarHBondContact OD1-N 3.21Å
233	F	98.3	Very high	97.1	Very high	99 Å²	99	40.3 Å²	40.3	43%	0.434	20%	0.197	S	C	.	.	S	Bend	trans	52.1	64	179.8	-57.4	-76.7	0	0	0	112.9	N209 N210 H255 S256	N209-F233 VanDerWaalsContact CA-O 3.27Å; N209-F233 WeakPolarHBondContact CA-O 3.43Å; N209-F233 PolarHBondContact N-O 2.96Å; N209-F233 WeakPolarHBondContact OD1-CB 3.41Å; N209-F233 WeakPolarHBondContact OD1-CD2 3.19Å; N209-F233 WeakPolarHBondContact OD1-CG 3.29Å; N210-F233 PolarHBondContact N-O 2.96Å; F233-H255 AromaticContact CD2-CE1 4Å; F233-H255 AromaticContact CE2-CE1 3.39Å; F233-H255 WeakPolarHBondContact CE2-CE1 3.42Å; F233-H255 AromaticContact CZ-CE1 3.54Å; F233-H255 PolarHBondContact N-O 3.39Å; F233-S256 WeakPolarHBondContact CA-O 3.35Å; F233-S256 VanDerWaalsContact CD1-CB 3.49Å
234	N	98.6	Very high	97.1	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.037	22%	0.216	C	C	.	.	S	Bend	trans	-135.4	-168.6	176.5	-88.8	-74.8	0	0	0	109.8	L207 N210 R211 I212 L231 N232 L236 S256 N257	L207-N234 PolarHBondContact O-ND2 3.39Å; L207-N234 VanDerWaalsContact O-ND2 3.11Å; N210-N234 WeakPolarHBondContact CA-OD1 3.45Å; N210-N234 WeakPolarHBondContact CB-OD1 3.5Å; R211-N234 PolarHBondContact N-OD1 2.99Å; I212-N234 HydrophobicContact CB-CB 4.38Å; I212-N234 WeakPolarHBondContact CB-OD1 3.32Å; I212-N234 VanDerWaalsContact CG1-OD1 3.29Å; I212-N234 WeakPolarHBondContact CG1-OD1 2.92Å; I212-N234 PolarHBondContact N-OD1 3.45Å; L231-N234 PolarHBondContact O-ND2 3.16Å; N232-N234 PolarHBondContact O-ND2 3.4Å; N234-L236 HydrophobicContact CB-CG 4.4Å; N234-S256 PolarHBondContact N-O 3.41Å; N234-N257 WeakPolarHBondContact CA-OD1 3.35Å; N234-N257 WeakPolarHBondContact CB-OD1 3.43Å; N234-N257 PolarHBondContact N-ND2 3.39Å; N234-N257 PolarHBondContact O-OD1 2.91Å
235	N	97.8	Very high	97.1	Very high	60 Å²	60	42.5 Å²	42.5	32%	0.321	21%	0.208	S	C	.	.			trans	-119.5	32.3	-179.4	-69.5	123.4	0	0	0	112.8	I212 K213 K237 N257 D258	I212-N235 CarbonylContact O-C 3.45Å; I212-N235 WeakPolarHBondContact O-CA 3.43Å; I212-N235 PolarHBondContact O-N 2.84Å; K213-N235 WeakPolarHBondContact CA-O 3.34Å; K213-N235 HydrophobicContact CG-CB 3.78Å; N235-K237 PolarHBondContact O-N 3.48Å; N235-N257 PolarHBondContact N-OD1 3.45Å; N235-D258 WeakPolarHBondContact CA-OD2 3.49Å; N235-D258 PolarHBondContact ND2-OD2 2.83Å
236	L	97.5	Very high	97.1	Very high	4 Å²	4	40 Å²	40	2%	0.021	20%	0.195	C	C	.	.			trans	-65.7	126.2	179.1	-60.3	176.8	0	0	0	109.7	I212 I215 L231 N234 N257 D258 I259	I212-L236 HydrophobicContact CB-CD2 4.33Å; I212-L236 HydrophobicContact CG2-CD2 3.77Å; I212-L236 PolarHBondContact O-N 3.44Å; I215-L236 HydrophobicContact CD1-CD1 3.96Å; I215-L236 HydrophobicContact CD1-CD2 3.54Å; I215-L236 HydrophobicContact CD1-CG 4.42Å; I215-L236 HydrophobicContact CG1-CD2 3.71Å; L231-L236 HydrophobicContact CB-CD1 4.2Å; L231-L236 HydrophobicContact CD1-CD1 4.31Å; N234-L236 HydrophobicContact CB-CG 4.4Å; L236-N257 HydrophobicContact CB-CB 4.38Å; L236-N257 VanDerWaalsContact CB-OD1 3.27Å; L236-N257 WeakPolarHBondContact CB-OD1 3.31Å; L236-N257 VanDerWaalsContact CG-OD1 3.29Å; L236-N257 WeakPolarHBondContact CG-OD1 3.3Å; L236-N257 PolarHBondContact N-OD1 2.89Å; L236-D258 CarbonylContact O-C 3.23Å; L236-D258 WeakPolarHBondContact O-CA 3.46Å; L236-D258 WeakPolarHBondContact O-CB 3.45Å; L236-D258 PolarHBondContact O-N 3.4Å; L236-I259 HydrophobicContact CB-CD1 4.01Å; L236-I259 HydrophobicContact CB-CG1 3.98Å; L236-I259 WeakPolarHBondContact O-CG1 3.04Å; L236-I259 PolarHBondContact O-N 3.49Å; L236-I259 VanDerWaalsContact O-N 3.11Å
237	K	94.9	Very high	97	Very high	138 Å²	138	43.2 Å²	43.2	60%	0.6	22%	0.216	S	C	*	.			trans	-96.8	-23.7	178.2	-62	178.5	-177.8	174.9	0	113.6	N235 D258	N235-K237 PolarHBondContact O-N 3.48Å; K237-D258 HydrophobicContact CG-CB 4.17Å
238	E	95.4	Very high	96.9	Very high	141 Å²	141	44.2 Å²	44.2	66%	0.659	22%	0.219	S	C	*	.	S	Bend	trans	-120	153.1	-179	-69.2	-166.3	-155.5	0	0	110.7
239	F	96.3	Very high	96.9	Very high	12 Å²	12	42.8 Å²	42.8	5%	0.053	21%	0.21	C	C	.	.			trans	-60.7	130.6	174	178.3	-95.5	0	0	0	111.4	K241 I243 F254 I262 P263 A266 F267	F239-K241 VanDerWaalsContact C-N 3.34Å; F239-K241 HydrophobicContact CD1-CG 4.18Å; F239-K241 PolarHBondContact O-N 3.22Å; F239-I243 HydrophobicContact CE1-CD1 4.19Å; F239-I243 HydrophobicContact CE1-CG1 4.48Å; F239-I243 HydrophobicContact CZ-CD1 3.64Å; F239-I243 HydrophobicContact CZ-CG1 4.4Å; F239-F254 HydrophobicContact CD2-CE2 4.48Å; F239-F254 HydrophobicContact CD2-CZ 4.27Å; F239-F254 HydrophobicContact CE2-CE1 4.4Å; F239-F254 AromaticContact CE2-CZ 3.96Å; F239-F254 HydrophobicContact CE2-CZ 3.96Å; F239-I262 HydrophobicContact CD2-CG1 4.43Å; F239-I262 HydrophobicContact CD2-CG2 4.46Å; F239-I262 HydrophobicContact CE2-CG2 4.43Å; F239-P263 HydrophobicContact CB-CG 4.35Å; F239-P263 HydrophobicContact CD1-CG 3.66Å; F239-P263 HydrophobicContact CE1-CG 4.16Å; F239-P263 VanDerWaalsContact CG-CD 3.47Å; F239-P263 HydrophobicContact CG-CG 4.04Å; F239-A266 HydrophobicContact CE1-CB 3.98Å; F239-A266 HydrophobicContact CE2-CB 4.11Å; F239-A266 HydrophobicContact CZ-CB 3.63Å; F239-A266 WeakPolarHBondContact CZ-O 3.3Å; F239-F267 AromaticContact CE2-CE1 3.7Å; F239-F267 HydrophobicContact CE2-CE1 3.7Å; F239-F267 AromaticContact CE2-CZ 3.69Å; F239-F267 HydrophobicContact CE2-CZ 3.69Å; F239-F267 HydrophobicContact CZ-CD1 4.19Å; F239-F267 AromaticContact CZ-CE1 3.65Å; F239-F267 HydrophobicContact CZ-CE1 3.65Å; F239-F267 HydrophobicContact CZ-CZ 4.01Å
240	P	95.7	Very high	96.8	Very high	8 Å²	8	45 Å²	45	5%	0.052	22%	0.22	C	C	.	.			trans	-77.1	76.5	-173	32.2	-37.1	0	0	0	112.6	I215 L231 A242 I243	I215-P240 HydrophobicContact CD1-CB 4.26Å; L231-P240 HydrophobicContact CD1-CB 4.41Å; L231-P240 HydrophobicContact CD1-CG 4.35Å; P240-A242 PolarHBondContact O-N 2.72Å; P240-I243 HydrophobicContact CG-CG2 4.44Å; P240-I243 WeakPolarHBondContact O-CG1 3.46Å; P240-I243 WeakPolarHBondContact O-CG2 3.49Å; P240-I243 PolarHBondContact O-N 2.73Å
241	K	95.1	Very high	96.8	Very high	111 Å²	111	47 Å²	47	48%	0.483	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-50.2	-25.1	180	-64.3	168.3	-173.1	152.7	0	114.6	F239 I243 E244	F239-K241 VanDerWaalsContact C-N 3.34Å; F239-K241 HydrophobicContact CD1-CG 4.18Å; F239-K241 PolarHBondContact O-N 3.22Å; K241-I243 PolarHBondContact O-N 2.94Å; K241-E244 WeakPolarHBondContact O-CB 3.48Å; K241-E244 VanDerWaalsContact O-CG 3.3Å; K241-E244 WeakPolarHBondContact O-CG 3.28Å; K241-E244 PolarHBondContact O-N 3.14Å
242	A	96.2	Very high	96.8	Very high	6 Å²	6	47 Å²	47	5%	0.05	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-56.6	-16.2	175	0	0	0	0	0	114.6	I215 A217 C219 F220 P240 E244 A245	I215-A242 HydrophobicContact CG2-CB 4.27Å; A217-A242 WeakPolarHBondContact O-CB 3.46Å; C219-A242 VanDerWaalsContact SG-CB 3.53Å; F220-A242 HydrophobicContact CD2-CB 3.73Å; F220-A242 HydrophobicContact CE2-CB 4.21Å; P240-A242 PolarHBondContact O-N 2.72Å; A242-E244 PolarHBondContact O-N 3.34Å; A242-A245 PolarHBondContact O-N 2.89Å
243	I	96.9	Very high	96.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-63.4	-17.2	171.2	69.3	171.1	0	0	0	113.4	L229 F239 P240 K241 A245 L246 L252 F267 N270	L229-I243 HydrophobicContact CD2-CG2 4.07Å; F239-I243 HydrophobicContact CE1-CD1 4.19Å; F239-I243 HydrophobicContact CE1-CG1 4.48Å; F239-I243 HydrophobicContact CZ-CD1 3.64Å; F239-I243 HydrophobicContact CZ-CG1 4.4Å; P240-I243 HydrophobicContact CG-CG2 4.44Å; P240-I243 WeakPolarHBondContact O-CG1 3.46Å; P240-I243 WeakPolarHBondContact O-CG2 3.49Å; P240-I243 PolarHBondContact O-N 2.73Å; K241-I243 PolarHBondContact O-N 2.94Å; I243-A245 PolarHBondContact O-N 3.15Å; I243-L246 HydrophobicContact CB-CD1 4.3Å; I243-L246 HydrophobicContact CG2-CD1 4.3Å; I243-L246 WeakPolarHBondContact O-CB 3.41Å; I243-L246 PolarHBondContact O-N 3.02Å; I243-L252 HydrophobicContact CD1-CD2 3.56Å; I243-L252 HydrophobicContact CG2-CD1 4.27Å; I243-L252 HydrophobicContact CG2-CD2 4.36Å; I243-F267 HydrophobicContact CD1-CD1 3.74Å; I243-F267 HydrophobicContact CD1-CE1 3.87Å; I243-N270 PolarHBondContact O-ND2 3.18Å
244	E	95.1	Very high	96.7	Very high	89 Å²	89	41.8 Å²	41.8	42%	0.416	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-57	-17.7	174.6	-73.6	172.7	-144.2	0	0	113	K241 A242 N269	K241-E244 WeakPolarHBondContact O-CB 3.48Å; K241-E244 VanDerWaalsContact O-CG 3.3Å; K241-E244 WeakPolarHBondContact O-CG 3.28Å; K241-E244 PolarHBondContact O-N 3.14Å; A242-E244 PolarHBondContact O-N 3.34Å; E244-N269 WeakPolarHBondContact O-CB 3.26Å; E244-N269 PolarHBondContact O-ND2 3Å
245	A	95.5	Very high	96.6	Very high	34 Å²	34	42.2 Å²	42.2	28%	0.281	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-84.6	0.3	175.3	0	0	0	0	0	115	V221 A242 I243 P247	V221-A245 HydrophobicContact CG2-CB 4.1Å; A242-A245 PolarHBondContact O-N 2.89Å; I243-A245 PolarHBondContact O-N 3.15Å; A245-P247 WeakPolarHBondContact O-CD 3.42Å
246	L	97	Very high	96.6	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.2	C	C	.	.			trans	-113.9	74.7	-168	-58.7	176.8	0	0	0	113.1	F220 L223 L226 L229 I243 K248 L249 N270	F220-L246 HydrophobicContact CB-CD1 4.33Å; F220-L246 HydrophobicContact CB-CD2 4.04Å; F220-L246 HydrophobicContact CB-CG 4.28Å; F220-L246 HydrophobicContact CD2-CD1 4.27Å; F220-L246 HydrophobicContact CG-CD1 4.39Å; L223-L246 HydrophobicContact CB-CD2 3.64Å; L226-L246 HydrophobicContact CB-CD2 4.09Å; L226-L246 HydrophobicContact CD2-CD1 4.04Å; L226-L246 HydrophobicContact CD2-CD2 4.06Å; L229-L246 HydrophobicContact CD2-CD1 3.82Å; I243-L246 HydrophobicContact CB-CD1 4.3Å; I243-L246 HydrophobicContact CG2-CD1 4.3Å; I243-L246 WeakPolarHBondContact O-CB 3.41Å; I243-L246 PolarHBondContact O-N 3.02Å; L246-K248 VanDerWaalsContact C-N 3.28Å; L246-K248 PolarHBondContact O-N 2.02Å; L246-L249 HydrophobicContact CB-CB 4.06Å; L246-L249 HydrophobicContact CB-CD2 4.29Å; L246-L249 HydrophobicContact CD1-CD1 4.34Å; L246-L249 HydrophobicContact CD1-CD2 4.09Å; L246-L249 WeakPolarHBondContact O-CB 3.27Å; L246-L249 PolarHBondContact O-N 3.18Å; L246-N270 PolarHBondContact O-ND2 2.99Å
247	P	95.6	Very high	96.6	Very high	68 Å²	68	40.6 Å²	40.6	44%	0.442	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.2	-170	28.9	-37.5	0	0	0	115.3	A245	A245-P247 WeakPolarHBondContact O-CD 3.42Å
248	K	97	Very high	96.7	Very high	80 Å²	80	37.6 Å²	37.6	35%	0.348	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	5.9	179.5	-65.3	-166.9	-171.8	174.8	0	114.2	N225 L226 L246 K250	N225-K248 PolarHBondContact OD1-NZ 3.2Å; L226-K248 CarbonylContact O-C 3.49Å; L226-K248 VanDerWaalsContact O-C 3.26Å; L246-K248 VanDerWaalsContact C-N 3.28Å; L246-K248 PolarHBondContact O-N 2.02Å; K248-K250 PolarHBondContact O-N 2.98Å
249	L	97.9	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.			trans	-61.7	124.5	-175.4	-164.1	65.3	0	0	0	110.7	L226 L229 L246 E251 L252 M272 L273	L226-L249 HydrophobicContact CD2-CD1 4.4Å; L226-L249 PolarHBondContact O-N 3.41Å; L229-L249 HydrophobicContact CB-CD1 3.85Å; L246-L249 HydrophobicContact CB-CB 4.06Å; L246-L249 HydrophobicContact CB-CD2 4.29Å; L246-L249 HydrophobicContact CD1-CD1 4.34Å; L246-L249 HydrophobicContact CD1-CD2 4.09Å; L246-L249 WeakPolarHBondContact O-CB 3.27Å; L246-L249 PolarHBondContact O-N 3.18Å; L249-E251 WeakPolarHBondContact CD1-O 3.4Å; L249-L252 HydrophobicContact CD2-CB 4.04Å; L249-L252 HydrophobicContact CD2-CD1 4.31Å; L249-L252 HydrophobicContact CD2-CD2 4.12Å; L249-L252 HydrophobicContact CD2-CG 4.38Å; L249-M272 CarbonylContact O-C 3.3Å; L249-M272 VanDerWaalsContact O-C 3.23Å; L249-L273 HydrophobicContact CB-CD2 4.29Å; L249-L273 HydrophobicContact CD2-CD2 4.12Å; L249-L273 HydrophobicContact CG-CD2 3.89Å; L249-L273 PolarHBondContact O-N 2.92Å
250	K	97.1	Very high	96.7	Very high	47 Å²	47	32.4 Å²	32.4	20%	0.204	18%	0.175	C	C	.	.			trans	-109.6	-34.5	179.7	-63.1	176	-166.5	165.7	0	111.8	E227 K248 M272 R274 T275	E227-K250 HydrophobicContact CB-CD 4.24Å; E227-K250 HydrophobicContact CB-CG 4.43Å; E227-K250 HydrophobicContact CG-CD 4.43Å; E227-K250 PolarHBondContact O-N 3.45Å; E227-K250 VanDerWaalsContact OE1-CE 3.31Å; E227-K250 WeakPolarHBondContact OE1-CE 3.41Å; E227-K250 IonicContact OE1-NZ 3.01Å; E227-K250 PolarHBondContact OE1-NZ 2.74Å; E227-K250 WeakPolarHBondContact OE2-CE 3.48Å; E227-K250 IonicContact OE2-NZ 3.87Å; E227-K250 PolarHBondContact OE2-NZ 3.4Å; K248-K250 PolarHBondContact O-N 2.98Å; K250-M272 WeakPolarHBondContact CA-O 3.42Å; K250-M272 HydrophobicContact CG-CB 4.37Å; K250-R274 PolarHBondContact O-N 2.88Å; K250-T275 PolarHBondContact O-N 3.29Å
251	E	97.9	Very high	96.7	Very high	69 Å²	69	33.8 Å²	33.8	32%	0.322	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.4	-178.9	177.6	155	-122.5	0	0	110.7	E227 T228 L229 L249 T275 H277	E227-E251 PolarHBondContact O-N 3.2Å; T228-E251 WeakPolarHBondContact CA-O 3.22Å; T228-E251 HydrophobicContact CG2-CB 4.23Å; T228-E251 HydrophobicContact CG2-CG 4.14Å; L229-E251 PolarHBondContact N-O 3.22Å; L249-E251 WeakPolarHBondContact CD1-O 3.4Å; E251-T275 WeakPolarHBondContact CB-OG1 3.45Å; E251-T275 WeakPolarHBondContact CG-OG1 3.38Å; E251-T275 PolarHBondContact OE1-OG1 3.43Å; E251-T275 VanDerWaalsContact OE1-OG1 3.13Å; E251-H277 IonicContact OE1-CE1 2.87Å
252	L	97.9	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	111.3	-178.2	173.9	55.8	0	0	0	110.8	L229 I243 L249 F254 F267 L273 T275 I276 H277	L229-L252 HydrophobicContact CB-CD1 4.32Å; L229-L252 HydrophobicContact CD2-CD1 4.11Å; L229-L252 HydrophobicContact CG-CD1 4.3Å; L229-L252 WeakPolarHBondContact O-CA 3.16Å; I243-L252 HydrophobicContact CD1-CD2 3.56Å; I243-L252 HydrophobicContact CG2-CD1 4.27Å; I243-L252 HydrophobicContact CG2-CD2 4.36Å; L249-L252 HydrophobicContact CD2-CB 4.04Å; L249-L252 HydrophobicContact CD2-CD1 4.31Å; L249-L252 HydrophobicContact CD2-CD2 4.12Å; L249-L252 HydrophobicContact CD2-CG 4.38Å; L252-F254 HydrophobicContact CD1-CD1 4.07Å; L252-F254 HydrophobicContact CD2-CD1 4.17Å; L252-F254 HydrophobicContact CD2-CE1 3.86Å; L252-F254 HydrophobicContact CG-CD1 3.79Å; L252-F254 HydrophobicContact CG-CE1 3.9Å; L252-F267 HydrophobicContact CD2-CD1 4.27Å; L252-F267 HydrophobicContact CD2-CE1 3.81Å; L252-L273 HydrophobicContact CB-CD2 3.87Å; L252-T275 PolarHBondContact N-O 2.92Å; L252-T275 VanDerWaalsContact N-O 3.14Å; L252-I276 HydrophobicContact CB-CG2 4.35Å; L252-I276 HydrophobicContact CD2-CG2 4.36Å; L252-I276 HydrophobicContact CG-CG2 4.35Å; L252-I276 CarbonylContact O-C 3.54Å; L252-I276 WeakPolarHBondContact O-CA 3.47Å; L252-H277 PolarHBondContact O-N 3.17Å
253	G	97.9	Very high	96.6	Very high	3 Å²	3	30.2 Å²	30.2	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.9	171.6	0	0	0	0	0	112.2	L229 L231 N232	L229-G253 PolarHBondContact O-N 2.93Å; L231-G253 WeakPolarHBondContact CA-O 3.29Å; L231-G253 WeakPolarHBondContact CB-O 3.38Å; L231-G253 PolarHBondContact N-O 3.2Å; N232-G253 WeakPolarHBondContact OD1-CA 3.41Å
254	F	97.4	Very high	96.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.			trans	-146.8	30.8	162.9	57.1	-89.4	0	0	0	111.6	L231 N232 F239 L252 N257 I259 F267 I276 H277 F278 N281	L231-F254 HydrophobicContact CB-CB 4.39Å; N232-F254 PolarHBondContact OD1-N 3.41Å; F239-F254 HydrophobicContact CD2-CE2 4.48Å; F239-F254 HydrophobicContact CD2-CZ 4.27Å; F239-F254 HydrophobicContact CE2-CE1 4.4Å; F239-F254 AromaticContact CE2-CZ 3.96Å; F239-F254 HydrophobicContact CE2-CZ 3.96Å; L252-F254 HydrophobicContact CD1-CD1 4.07Å; L252-F254 HydrophobicContact CD2-CD1 4.17Å; L252-F254 HydrophobicContact CD2-CE1 3.86Å; L252-F254 HydrophobicContact CG-CD1 3.79Å; L252-F254 HydrophobicContact CG-CE1 3.9Å; F254-N257 PolarHBondContact O-ND2 2.91Å; F254-I259 HydrophobicContact CD2-CD1 3.71Å; F254-I259 HydrophobicContact CE2-CD1 4.32Å; F254-I259 HydrophobicContact CG-CD1 4.46Å; F254-F267 HydrophobicContact CE1-CE1 4.31Å; F254-F267 HydrophobicContact CE1-CZ 4.35Å; F254-F267 HydrophobicContact CZ-CZ 4.15Å; F254-I276 HydrophobicContact CE1-CG2 3.85Å; F254-I276 HydrophobicContact CZ-CG2 4.38Å; F254-H277 CarbonylContact C-O 3.59Å; F254-H277 PolarHBondContact N-O 2.89Å; F254-F278 HydrophobicContact CD2-CB 3.68Å; F254-F278 HydrophobicContact CE1-CB 4.25Å; F254-F278 HydrophobicContact CE2-CB 3.25Å; F254-F278 HydrophobicContact CE2-CG 4.22Å; F254-F278 HydrophobicContact CG-CB 4.38Å; F254-F278 HydrophobicContact CZ-CB 3.57Å; F254-F278 HydrophobicContact CZ-CD1 4.24Å; F254-F278 HydrophobicContact CZ-CG 4.22Å; F254-N281 PolarHBondContact O-ND2 3.19Å
255	H	96.8	Very high	96.5	Very high	15 Å²	15	38.3 Å²	38.3	7%	0.069	21%	0.205	C	C	.	.			trans	-71.1	162.3	178	81	74.2	0	0	0	111.5	N232 F233 N257 H277 Y279	N232-H255 WeakPolarHBondContact CA-O 3.21Å; N232-H255 PolarHBondContact ND2-CD2 3.47Å; N232-H255 PolarHBondContact OD1-CD2 3.21Å; N232-H255 PolarHBondContact OD1-N 3.21Å; F233-H255 AromaticContact CD2-CE1 4Å; F233-H255 AromaticContact CE2-CE1 3.39Å; F233-H255 WeakPolarHBondContact CE2-CE1 3.42Å; F233-H255 AromaticContact CZ-CE1 3.54Å; F233-H255 PolarHBondContact N-O 3.39Å; H255-N257 PolarHBondContact O-N 3.32Å; H255-N257 PolarHBondContact O-ND2 2.91Å; H255-H277 HydrophobicContact CB-CB 4.45Å; H255-H277 PolarHBondContact N-O 2.8Å; H255-Y279 CarbonylContact C-O 3.56Å; H255-Y279 WeakPolarHBondContact CA-O 3.14Å; H255-Y279 HydrophobicContact CB-CD1 4.17Å; H255-Y279 HydrophobicContact CB-CD2 3.84Å; H255-Y279 HydrophobicContact CB-CE1 4.14Å; H255-Y279 HydrophobicContact CB-CE2 3.81Å; H255-Y279 HydrophobicContact CB-CG 4.02Å; H255-Y279 VanDerWaalsContact CB-O 3.26Å; H255-Y279 WeakPolarHBondContact CB-O 3.21Å; H255-Y279 AromaticContact CD2-CE2 3.83Å; H255-Y279 AromaticContact CD2-CZ 3.44Å; H255-Y279 VanDerWaalsContact CD2-CZ 3.44Å; H255-Y279 PolarHBondContact CD2-OH 2.78Å; H255-Y279 VanDerWaalsContact CD2-OH 3.28Å; H255-Y279 AromaticContact CE1-CE2 3.75Å; H255-Y279 AromaticContact CE1-CZ 3.94Å; H255-Y279 AromaticContact CG-CE2 3.47Å; H255-Y279 VanDerWaalsContact CG-CE2 3.47Å; H255-Y279 AromaticContact CG-CZ 3.55Å; H255-Y279 AromaticContact ND1-CE2 3.41Å; H255-Y279 WeakPolarHBondContact ND1-CE2 3.38Å; H255-Y279 AromaticContact ND1-CZ 3.87Å; H255-Y279 AromaticContact NE2-CZ 3.73Å; H255-Y279 PolarHBondContact NE2-OH 2.99Å
256	S	97.5	Very high	96.5	Very high	24 Å²	24	36.9 Å²	36.9	17%	0.168	19%	0.194	C	C	.	.	S	Bend	trans	51.9	58	-179.4	-47.5	0	0	0	0	112.1	F233 N234 Y279 D280	F233-S256 WeakPolarHBondContact CA-O 3.35Å; F233-S256 VanDerWaalsContact CD1-CB 3.49Å; N234-S256 PolarHBondContact N-O 3.41Å; S256-Y279 PolarHBondContact N-O 3Å; S256-D280 WeakPolarHBondContact CA-O 3.34Å; S256-D280 PolarHBondContact OG-OD2 2.04Å
257	N	97.9	Very high	96.4	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.032	19%	0.194	C	C	.	.	S	Bend	trans	-134.4	177	179.8	-91.1	-91.9	0	0	0	109.5	L231 N234 N235 L236 F254 H255 I259 N281 P282	L231-N257 PolarHBondContact O-ND2 2.98Å; N234-N257 WeakPolarHBondContact CA-OD1 3.35Å; N234-N257 WeakPolarHBondContact CB-OD1 3.43Å; N234-N257 PolarHBondContact N-ND2 3.39Å; N234-N257 PolarHBondContact O-OD1 2.91Å; N235-N257 PolarHBondContact N-OD1 3.45Å; L236-N257 HydrophobicContact CB-CB 4.38Å; L236-N257 VanDerWaalsContact CB-OD1 3.27Å; L236-N257 WeakPolarHBondContact CB-OD1 3.31Å; L236-N257 VanDerWaalsContact CG-OD1 3.29Å; L236-N257 WeakPolarHBondContact CG-OD1 3.3Å; L236-N257 PolarHBondContact N-OD1 2.89Å; F254-N257 PolarHBondContact O-ND2 2.91Å; H255-N257 PolarHBondContact O-N 3.32Å; H255-N257 PolarHBondContact O-ND2 2.91Å; N257-I259 HydrophobicContact CB-CD1 4.45Å; N257-I259 HydrophobicContact CB-CG1 4.29Å; N257-N281 WeakPolarHBondContact CA-OD1 3.13Å; N257-N281 WeakPolarHBondContact CB-OD1 2.87Å; N257-N281 WeakPolarHBondContact O-CA 3.41Å; N257-N281 PolarHBondContact O-OD1 3.22Å; N257-N281 VanDerWaalsContact O-OD1 3.08Å; N257-P282 VanDerWaalsContact O-CD 3.24Å; N257-P282 WeakPolarHBondContact O-CD 3.17Å
258	D	96.9	Very high	96.3	Very high	75 Å²	75	38 Å²	38	40%	0.401	19%	0.193	S	C	.	.			trans	-93.3	19.6	-177	-65.5	-68.5	0	0	0	113.2	N235 L236 K237 A260	N235-D258 WeakPolarHBondContact CA-OD2 3.49Å; N235-D258 PolarHBondContact ND2-OD2 2.83Å; L236-D258 CarbonylContact O-C 3.23Å; L236-D258 WeakPolarHBondContact O-CA 3.46Å; L236-D258 WeakPolarHBondContact O-CB 3.45Å; L236-D258 PolarHBondContact O-N 3.4Å; K237-D258 HydrophobicContact CG-CB 4.17Å; D258-A260 PolarHBondContact O-N 2.9Å
259	I	96.3	Very high	96.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.			trans	-75.3	117.7	-169.3	-58.6	173.1	0	0	0	111.6	L236 F254 N257 A261 N281 P282 L283	L236-I259 HydrophobicContact CB-CD1 4.01Å; L236-I259 HydrophobicContact CB-CG1 3.98Å; L236-I259 WeakPolarHBondContact O-CG1 3.04Å; L236-I259 PolarHBondContact O-N 3.49Å; L236-I259 VanDerWaalsContact O-N 3.11Å; F254-I259 HydrophobicContact CD2-CD1 3.71Å; F254-I259 HydrophobicContact CE2-CD1 4.32Å; F254-I259 HydrophobicContact CG-CD1 4.46Å; N257-I259 HydrophobicContact CB-CD1 4.45Å; N257-I259 HydrophobicContact CB-CG1 4.29Å; I259-A261 WeakPolarHBondContact CG2-O 3.39Å; I259-N281 VanDerWaalsContact CB-OD1 3.26Å; I259-N281 WeakPolarHBondContact CB-OD1 3.33Å; I259-N281 PolarHBondContact N-OD1 3.43Å; I259-N281 VanDerWaalsContact N-OD1 3.07Å; I259-P282 CarbonylContact O-C 3.08Å; I259-L283 HydrophobicContact CG2-CD2 4.43Å
260	A	94.7	Very high	96.1	Very high	44 Å²	44	37.4 Å²	37.4	36%	0.364	19%	0.193	S	C	.	.			trans	-86.6	-16.6	-175.7	0	0	0	0	0	115.2	D258 S284	D258-A260 PolarHBondContact O-N 2.9Å; A260-S284 PolarHBondContact O-N 3.49Å; A260-S284 PolarHBondContact O-OG 3.45Å
261	A	95.3	Very high	95.9	Very high	38 Å²	38	37.5 Å²	37.5	31%	0.314	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	148.2	-177.7	0	0	0	0	0	114.3	I259 F285	I259-A261 WeakPolarHBondContact CG2-O 3.39Å; A261-F285 VanDerWaalsContact CA-O 3.24Å; A261-F285 WeakPolarHBondContact CA-O 3.37Å; A261-F285 HydrophobicContact CB-CB 4.15Å; A261-F285 HydrophobicContact CB-CD1 4.36Å
262	I	95.9	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.4	167.9	-63.5	172.7	0	0	0	108.5	F239 A266 F267 F278 L283 F285 V286 G287 A290 F291	F239-I262 HydrophobicContact CD2-CG1 4.43Å; F239-I262 HydrophobicContact CD2-CG2 4.46Å; F239-I262 HydrophobicContact CE2-CG2 4.43Å; I262-A266 HydrophobicContact CG2-CB 3.57Å; I262-F267 HydrophobicContact CG2-CE2 4.35Å; I262-F278 HydrophobicContact CD1-CD2 4.36Å; I262-F278 HydrophobicContact CD1-CG 4.43Å; I262-L283 HydrophobicContact CD1-CD1 4.13Å; I262-L283 HydrophobicContact CD1-CD2 4.25Å; I262-L283 HydrophobicContact CG1-CD2 3.9Å; I262-F285 PolarHBondContact N-O 3.4Å; I262-V286 HydrophobicContact CB-CG1 4.48Å; I262-V286 WeakPolarHBondContact O-CA 3.33Å; I262-G287 PolarHBondContact O-N 3.15Å; I262-A290 HydrophobicContact CG2-CB 3.94Å; I262-F291 HydrophobicContact CD1-CZ 4.22Å
263	P	95.1	Very high	95.8	Very high	41 Å²	41	37.7 Å²	37.7	27%	0.266	20%	0.2	S	C	.	.			trans	-75	167.9	-175	31	-35.7	0	0	0	113.5	F239 A266 A290	F239-P263 HydrophobicContact CB-CG 4.35Å; F239-P263 HydrophobicContact CD1-CG 3.66Å; F239-P263 HydrophobicContact CE1-CG 4.16Å; F239-P263 VanDerWaalsContact CG-CD 3.47Å; F239-P263 HydrophobicContact CG-CG 4.04Å; P263-A266 HydrophobicContact CG-CB 4.07Å; P263-A266 WeakPolarHBondContact O-CB 3.43Å; P263-A266 PolarHBondContact O-N 2.99Å; P263-A290 WeakPolarHBondContact O-CB 3.42Å
264	E	94.3	Very high	95.6	Very high	93 Å²	93	43 Å²	43	44%	0.435	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	141.9	165.8	-67.3	-62.7	162.8	0	0	111	A266 G287 A288 S289	E264-A266 PolarHBondContact O-N 3.42Å; E264-A266 VanDerWaalsContact O-N 3.13Å; E264-G287 VanDerWaalsContact CD-CA 3.4Å; E264-G287 WeakPolarHBondContact OE1-CA 3.38Å; E264-A288 VanDerWaalsContact CD-N 3.33Å; E264-A288 PolarHBondContact OE1-N 3.06Å; E264-A288 PolarHBondContact OE2-N 3.41Å; E264-A288 VanDerWaalsContact OE2-N 3.16Å; E264-S289 WeakPolarHBondContact OE2-CA 3.44Å; E264-S289 VanDerWaalsContact OE2-CB 3.32Å; E264-S289 WeakPolarHBondContact OE2-CB 3.17Å; E264-S289 PolarHBondContact OE2-N 2.86Å; E264-S289 PolarHBondContact OE2-OG 3.11Å
265	R	93.8	Very high	95.4	Very high	167 Å²	167	45.4 Å²	45.4	63%	0.63	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	19.9	-179.3	-55.1	-177.5	178.4	163.3	-0.3	116.1	F267 H268 S289	R265-F267 PolarHBondContact O-N 3.33Å; R265-H268 HydrophobicContact CB-CB 4.22Å; R265-H268 WeakPolarHBondContact O-CB 3.35Å; R265-H268 PolarHBondContact O-CD2 3.43Å; R265-H268 VanDerWaalsContact O-CD2 3.28Å; R265-H268 PolarHBondContact O-N 3.35Å; R265-S289 WeakPolarHBondContact CG-OG 3.46Å; R265-S289 PolarHBondContact N-OG 3.3Å
266	A	95.6	Very high	95.4	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.033	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.7	-35	-174.1	0	0	0	0	0	117.1	F239 I262 P263 E264 A290	F239-A266 HydrophobicContact CE1-CB 3.98Å; F239-A266 HydrophobicContact CE2-CB 4.11Å; F239-A266 HydrophobicContact CZ-CB 3.63Å; F239-A266 WeakPolarHBondContact CZ-O 3.3Å; I262-A266 HydrophobicContact CG2-CB 3.57Å; P263-A266 HydrophobicContact CG-CB 4.07Å; P263-A266 WeakPolarHBondContact O-CB 3.43Å; P263-A266 PolarHBondContact O-N 2.99Å; E264-A266 PolarHBondContact O-N 3.42Å; E264-A266 VanDerWaalsContact O-N 3.13Å; A266-A290 HydrophobicContact CB-CB 4.13Å
267	F	95.8	Very high	95.3	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	17.1	-174.9	-53.9	-67.8	0	0	0	114.1	F239 I243 L252 F254 I262 R265 N269 N270 L273 I276 A290 F291 L294	F239-F267 AromaticContact CE2-CE1 3.7Å; F239-F267 HydrophobicContact CE2-CE1 3.7Å; F239-F267 AromaticContact CE2-CZ 3.69Å; F239-F267 HydrophobicContact CE2-CZ 3.69Å; F239-F267 HydrophobicContact CZ-CD1 4.19Å; F239-F267 AromaticContact CZ-CE1 3.65Å; F239-F267 HydrophobicContact CZ-CE1 3.65Å; F239-F267 HydrophobicContact CZ-CZ 4.01Å; I243-F267 HydrophobicContact CD1-CD1 3.74Å; I243-F267 HydrophobicContact CD1-CE1 3.87Å; L252-F267 HydrophobicContact CD2-CD1 4.27Å; L252-F267 HydrophobicContact CD2-CE1 3.81Å; F254-F267 HydrophobicContact CE1-CE1 4.31Å; F254-F267 HydrophobicContact CE1-CZ 4.35Å; F254-F267 HydrophobicContact CZ-CZ 4.15Å; I262-F267 HydrophobicContact CG2-CE2 4.35Å; R265-F267 PolarHBondContact O-N 3.33Å; F267-N269 PolarHBondContact O-N 2.98Å; F267-N269 VanDerWaalsContact O-N 3.1Å; F267-N270 PolarHBondContact O-N 3.04Å; F267-L273 HydrophobicContact CB-CD1 4.03Å; F267-L273 HydrophobicContact CD1-CD1 3.76Å; F267-L273 HydrophobicContact CG-CD1 4.07Å; F267-I276 HydrophobicContact CD1-CD1 4.44Å; F267-I276 HydrophobicContact CD2-CD1 4.24Å; F267-I276 HydrophobicContact CE1-CD1 4.39Å; F267-I276 HydrophobicContact CE1-CG2 4.25Å; F267-I276 HydrophobicContact CE2-CD1 4.21Å; F267-I276 HydrophobicContact CG-CD1 4.37Å; F267-I276 HydrophobicContact CZ-CD1 4.28Å; F267-I276 HydrophobicContact CZ-CG2 4.14Å; F267-A290 WeakPolarHBondContact CD2-O 3.44Å; F267-F291 AromaticContact CD2-CD1 3.95Å; F267-F291 HydrophobicContact CD2-CD1 3.95Å; F267-F291 AromaticContact CD2-CE1 3.95Å; F267-F291 HydrophobicContact CD2-CE1 3.95Å; F267-F291 AromaticContact CE2-CD1 3.88Å; F267-F291 HydrophobicContact CE2-CD1 3.88Å; F267-F291 AromaticContact CE2-CE1 3.39Å; F267-F291 HydrophobicContact CE2-CE1 3.39Å; F267-F291 AromaticContact CE2-CZ 3.85Å; F267-F291 HydrophobicContact CE2-CZ 3.85Å; F267-F291 HydrophobicContact CZ-CE1 4.32Å; F267-L294 HydrophobicContact CB-CD1 4.13Å; F267-L294 HydrophobicContact CB-CD2 3.92Å; F267-L294 HydrophobicContact CD2-CD1 4.24Å; F267-L294 HydrophobicContact CG-CD1 4.44Å
268	H	92.9	Very high	95.1	Very high	92 Å²	92	47.2 Å²	47.2	43%	0.426	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23	-167.5	81.1	74.4	0	0	0	115.3	R265	R265-H268 HydrophobicContact CB-CB 4.22Å; R265-H268 WeakPolarHBondContact O-CB 3.35Å; R265-H268 PolarHBondContact O-CD2 3.43Å; R265-H268 VanDerWaalsContact O-CD2 3.28Å; R265-H268 PolarHBondContact O-N 3.35Å
269	N	94	Very high	94.9	Very high	67 Å²	67	49 Å²	49	36%	0.358	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2	175.6	-84.6	-3.1	0	0	0	113.1	E244 F267 P271	E244-N269 WeakPolarHBondContact O-CB 3.26Å; E244-N269 PolarHBondContact O-ND2 3Å; F267-N269 PolarHBondContact O-N 2.98Å; F267-N269 VanDerWaalsContact O-N 3.1Å; N269-P271 VanDerWaalsContact O-CD 3.23Å; N269-P271 WeakPolarHBondContact O-CD 3.45Å
270	N	96.1	Very high	94.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.272	C	S	.	.			trans	-118.8	53	-174.6	-46.6	105.4	0	0	0	112	I243 L246 F267 M272 L273	I243-N270 PolarHBondContact O-ND2 3.18Å; L246-N270 PolarHBondContact O-ND2 2.99Å; F267-N270 PolarHBondContact O-N 3.04Å; N270-M272 PolarHBondContact O-N 2.93Å; N270-L273 HydrophobicContact CB-CD1 3.56Å; N270-L273 HydrophobicContact CB-CG 3.87Å; N270-L273 WeakPolarHBondContact O-CG 3.29Å; N270-L273 PolarHBondContact O-N 2.8Å
271	P	94.6	Very high	94.8	Very high	48 Å²	48	53.5 Å²	53.5	31%	0.312	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.8	-170.1	31.5	-38.6	0	0	0	114.5	N269	N269-P271 VanDerWaalsContact O-CD 3.23Å; N269-P271 WeakPolarHBondContact O-CD 3.45Å
272	M	95.6	Very high	94.8	Very high	73 Å²	73	55.4 Å²	55.4	36%	0.36	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	2.5	178.6	-59.6	-162.9	74.5	0	0	113.8	L249 K250 N270 R274	L249-M272 CarbonylContact O-C 3.3Å; L249-M272 VanDerWaalsContact O-C 3.23Å; K250-M272 WeakPolarHBondContact CA-O 3.42Å; K250-M272 HydrophobicContact CG-CB 4.37Å; N270-M272 PolarHBondContact O-N 2.93Å; M272-R274 PolarHBondContact O-N 3.05Å
273	L	96.5	Very high	94.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.271	C	S	.	.			trans	-62.5	128.9	-179.1	-77.4	171.4	0	0	0	112.2	L249 L252 F267 N270 I276 L294 D296 L297	L249-L273 HydrophobicContact CB-CD2 4.29Å; L249-L273 HydrophobicContact CD2-CD2 4.12Å; L249-L273 HydrophobicContact CG-CD2 3.89Å; L249-L273 PolarHBondContact O-N 2.92Å; L252-L273 HydrophobicContact CB-CD2 3.87Å; F267-L273 HydrophobicContact CB-CD1 4.03Å; F267-L273 HydrophobicContact CD1-CD1 3.76Å; F267-L273 HydrophobicContact CG-CD1 4.07Å; N270-L273 HydrophobicContact CB-CD1 3.56Å; N270-L273 HydrophobicContact CB-CG 3.87Å; N270-L273 WeakPolarHBondContact O-CG 3.29Å; N270-L273 PolarHBondContact O-N 2.8Å; L273-I276 HydrophobicContact CB-CD1 4.38Å; L273-I276 HydrophobicContact CB-CG1 4.36Å; L273-I276 HydrophobicContact CD1-CD1 3.89Å; L273-I276 HydrophobicContact CD1-CG1 4.24Å; L273-I276 HydrophobicContact CD2-CG1 4.47Å; L273-L294 HydrophobicContact CB-CD2 4.49Å; L273-D296 CarbonylContact O-C 3.59Å; L273-L297 WeakPolarHBondContact O-CA 3.45Å; L273-L297 PolarHBondContact O-N 3.38Å; L273-L297 VanDerWaalsContact O-N 3.16Å
274	R	94.4	Very high	94.5	Very high	116 Å²	116	55.8 Å²	55.8	44%	0.438	27%	0.272	S	S	.	.			trans	-113.4	-39.5	-179.3	-67.5	170.5	178.3	-152.2	-14.8	111.9	K250 M272 D296 R298	K250-R274 PolarHBondContact O-N 2.88Å; M272-R274 PolarHBondContact O-N 3.05Å; R274-D296 HydrophobicContact CG-CB 3.84Å; R274-D296 IonicContact CZ-OD2 2.86Å; R274-D296 IonicContact NE-OD2 2.67Å; R274-D296 PolarHBondContact NE-OD2 3.17Å; R274-D296 IonicContact NH2-OD1 3.6Å; R274-D296 IonicContact NH2-OD2 3.45Å; R274-D296 PolarHBondContact NH2-OD2 2.97Å; R274-R298 PolarHBondContact O-N 3.38Å
275	T	94	Very high	94.5	Very high	50 Å²	50	55.2 Å²	55.2	31%	0.307	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.9	179.1	48	0	0	0	0	109.8	K250 E251 L252	K250-T275 PolarHBondContact O-N 3.29Å; E251-T275 WeakPolarHBondContact CB-OG1 3.45Å; E251-T275 WeakPolarHBondContact CG-OG1 3.38Å; E251-T275 PolarHBondContact OE1-OG1 3.43Å; E251-T275 VanDerWaalsContact OE1-OG1 3.13Å; L252-T275 PolarHBondContact N-O 2.92Å; L252-T275 VanDerWaalsContact N-O 3.14Å
276	I	95.8	Very high	94.5	Very high	15 Å²	15	47.5 Å²	47.5	8%	0.077	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	113.5	174	-40.3	176.2	0	0	0	107.2	L252 F254 F267 L273 F278 F291 L294 L297	L252-I276 HydrophobicContact CB-CG2 4.35Å; L252-I276 HydrophobicContact CD2-CG2 4.36Å; L252-I276 HydrophobicContact CG-CG2 4.35Å; L252-I276 CarbonylContact O-C 3.54Å; L252-I276 WeakPolarHBondContact O-CA 3.47Å; F254-I276 HydrophobicContact CE1-CG2 3.85Å; F254-I276 HydrophobicContact CZ-CG2 4.38Å; F267-I276 HydrophobicContact CD1-CD1 4.44Å; F267-I276 HydrophobicContact CD2-CD1 4.24Å; F267-I276 HydrophobicContact CE1-CD1 4.39Å; F267-I276 HydrophobicContact CE1-CG2 4.25Å; F267-I276 HydrophobicContact CE2-CD1 4.21Å; F267-I276 HydrophobicContact CG-CD1 4.37Å; F267-I276 HydrophobicContact CZ-CD1 4.28Å; F267-I276 HydrophobicContact CZ-CG2 4.14Å; L273-I276 HydrophobicContact CB-CD1 4.38Å; L273-I276 HydrophobicContact CB-CG1 4.36Å; L273-I276 HydrophobicContact CD1-CD1 3.89Å; L273-I276 HydrophobicContact CD1-CG1 4.24Å; L273-I276 HydrophobicContact CD2-CG1 4.47Å; I276-F278 HydrophobicContact CB-CD1 4.23Å; I276-F278 HydrophobicContact CB-CE1 4.38Å; I276-F278 HydrophobicContact CG2-CD1 3.8Å; I276-F278 HydrophobicContact CG2-CE1 4.33Å; I276-F291 HydrophobicContact CD1-CD1 4.45Å; I276-F291 HydrophobicContact CD1-CE1 4.24Å; I276-L294 HydrophobicContact CD1-CD1 4.16Å; I276-L297 HydrophobicContact CD1-CD1 4.1Å; I276-L297 HydrophobicContact CG1-CD1 4Å
277	H	94.9	Very high	94.4	Very high	62 Å²	62	47.3 Å²	47.3	29%	0.287	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	107.5	-177.7	-57.5	139.4	0	0	0	109.5	E251 L252 F254 H255 Y279	E251-H277 IonicContact OE1-CE1 2.87Å; L252-H277 PolarHBondContact O-N 3.17Å; F254-H277 CarbonylContact C-O 3.59Å; F254-H277 PolarHBondContact N-O 2.89Å; H255-H277 HydrophobicContact CB-CB 4.45Å; H255-H277 PolarHBondContact N-O 2.8Å; H277-Y279 HydrophobicContact CB-CE1 3.96Å
278	F	95.1	Very high	94.3	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.026	25%	0.251	C	S	.	.			trans	-135.7	13.1	-177.4	59.1	-105.1	0	0	0	114	F254 I262 I276 N281 L283 F291 L300 M301 L302	F254-F278 HydrophobicContact CD2-CB 3.68Å; F254-F278 HydrophobicContact CE1-CB 4.25Å; F254-F278 HydrophobicContact CE2-CB 3.25Å; F254-F278 HydrophobicContact CE2-CG 4.22Å; F254-F278 HydrophobicContact CG-CB 4.38Å; F254-F278 HydrophobicContact CZ-CB 3.57Å; F254-F278 HydrophobicContact CZ-CD1 4.24Å; F254-F278 HydrophobicContact CZ-CG 4.22Å; I262-F278 HydrophobicContact CD1-CD2 4.36Å; I262-F278 HydrophobicContact CD1-CG 4.43Å; I276-F278 HydrophobicContact CB-CD1 4.23Å; I276-F278 HydrophobicContact CB-CE1 4.38Å; I276-F278 HydrophobicContact CG2-CD1 3.8Å; I276-F278 HydrophobicContact CG2-CE1 4.33Å; F278-N281 PolarHBondContact O-ND2 3.41Å; F278-L283 HydrophobicContact CD2-CD1 3.7Å; F278-L283 HydrophobicContact CE2-CD1 4.09Å; F278-F291 HydrophobicContact CE1-CE1 4.05Å; F278-F291 AromaticContact CE1-CZ 3.97Å; F278-F291 HydrophobicContact CE1-CZ 3.97Å; F278-F291 HydrophobicContact CZ-CE1 4.5Å; F278-F291 HydrophobicContact CZ-CZ 4.06Å; F278-L300 HydrophobicContact CE1-CD1 4.31Å; F278-L300 HydrophobicContact CZ-CD1 4.03Å; F278-M301 WeakPolarHBondContact CE2-O 3.25Å; F278-M301 VanDerWaalsContact CZ-O 3.27Å; F278-M301 WeakPolarHBondContact CZ-O 3.5Å; F278-L302 HydrophobicContact CE2-CD2 3.45Å; F278-L302 VanDerWaalsContact CE2-CD2 3.45Å; F278-L302 HydrophobicContact CE2-CG 4.14Å; F278-L302 HydrophobicContact CZ-CD2 3.52Å; F278-L302 HydrophobicContact CZ-CG 3.95Å
279	Y	92.8	Very high	94.3	Very high	111 Å²	111	45.3 Å²	45.3	44%	0.435	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	170.4	173.8	53.8	-96.4	0	0	0	112	H255 S256 H277 N281	H255-Y279 CarbonylContact C-O 3.56Å; H255-Y279 WeakPolarHBondContact CA-O 3.14Å; H255-Y279 HydrophobicContact CB-CD1 4.17Å; H255-Y279 HydrophobicContact CB-CD2 3.84Å; H255-Y279 HydrophobicContact CB-CE1 4.14Å; H255-Y279 HydrophobicContact CB-CE2 3.81Å; H255-Y279 HydrophobicContact CB-CG 4.02Å; H255-Y279 VanDerWaalsContact CB-O 3.26Å; H255-Y279 WeakPolarHBondContact CB-O 3.21Å; H255-Y279 AromaticContact CD2-CE2 3.83Å; H255-Y279 AromaticContact CD2-CZ 3.44Å; H255-Y279 VanDerWaalsContact CD2-CZ 3.44Å; H255-Y279 PolarHBondContact CD2-OH 2.78Å; H255-Y279 VanDerWaalsContact CD2-OH 3.28Å; H255-Y279 AromaticContact CE1-CE2 3.75Å; H255-Y279 AromaticContact CE1-CZ 3.94Å; H255-Y279 AromaticContact CG-CE2 3.47Å; H255-Y279 VanDerWaalsContact CG-CE2 3.47Å; H255-Y279 AromaticContact CG-CZ 3.55Å; H255-Y279 AromaticContact ND1-CE2 3.41Å; H255-Y279 WeakPolarHBondContact ND1-CE2 3.38Å; H255-Y279 AromaticContact ND1-CZ 3.87Å; H255-Y279 AromaticContact NE2-CZ 3.73Å; H255-Y279 PolarHBondContact NE2-OH 2.99Å; S256-Y279 PolarHBondContact N-O 3Å; H277-Y279 HydrophobicContact CB-CE1 3.96Å; Y279-N281 PolarHBondContact O-N 3.19Å; Y279-N281 PolarHBondContact O-ND2 2.69Å
280	D	93.5	Very high	94.3	Very high	120 Å²	120	42.1 Å²	42.1	64%	0.642	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	26.7	-174.9	-55.9	-18	0	0	0	114.7	S256	S256-D280 WeakPolarHBondContact CA-O 3.34Å; S256-D280 PolarHBondContact OG-OD2 2.04Å
281	N	95.3	Very high	94.3	Very high	19 Å²	19	42.2 Å²	42.2	10%	0.102	22%	0.22	C	C	.	.	S	Bend	trans	-100.8	146.6	164.8	-80.2	-89.2	0	0	0	109.8	F254 N257 I259 F278 Y279 L283	F254-N281 PolarHBondContact O-ND2 3.19Å; N257-N281 WeakPolarHBondContact CA-OD1 3.13Å; N257-N281 WeakPolarHBondContact CB-OD1 2.87Å; N257-N281 WeakPolarHBondContact O-CA 3.41Å; N257-N281 PolarHBondContact O-OD1 3.22Å; N257-N281 VanDerWaalsContact O-OD1 3.08Å; I259-N281 VanDerWaalsContact CB-OD1 3.26Å; I259-N281 WeakPolarHBondContact CB-OD1 3.33Å; I259-N281 PolarHBondContact N-OD1 3.43Å; I259-N281 VanDerWaalsContact N-OD1 3.07Å; F278-N281 PolarHBondContact O-ND2 3.41Å; Y279-N281 PolarHBondContact O-N 3.19Å; Y279-N281 PolarHBondContact O-ND2 2.69Å; N281-L283 HydrophobicContact CB-CD2 4.47Å; N281-L283 HydrophobicContact CB-CG 3.95Å; N281-L283 PolarHBondContact O-N 3.17Å
282	P	94.3	Very high	94.2	Very high	78 Å²	78	42.6 Å²	42.6	51%	0.506	22%	0.218	S	C	.	.			trans	-76.1	50.4	176.8	34.6	-37.8	0	0	0	112.4	N257 I259 S284	N257-P282 VanDerWaalsContact O-CD 3.24Å; N257-P282 WeakPolarHBondContact O-CD 3.17Å; I259-P282 CarbonylContact O-C 3.08Å; P282-S284 PolarHBondContact O-N 2.92Å; P282-S284 VanDerWaalsContact O-N 3.17Å
283	L	93.3	Very high	94	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.052	22%	0.22	C	C	.	.			trans	-62.2	116	-175.4	-71.9	175.6	0	0	0	111.5	I259 I262 F278 N281 G304 A305	I259-L283 HydrophobicContact CG2-CD2 4.43Å; I262-L283 HydrophobicContact CD1-CD1 4.13Å; I262-L283 HydrophobicContact CD1-CD2 4.25Å; I262-L283 HydrophobicContact CG1-CD2 3.9Å; F278-L283 HydrophobicContact CD2-CD1 3.7Å; F278-L283 HydrophobicContact CE2-CD1 4.09Å; N281-L283 HydrophobicContact CB-CD2 4.47Å; N281-L283 HydrophobicContact CB-CG 3.95Å; N281-L283 PolarHBondContact O-N 3.17Å; L283-G304 CarbonylContact O-C 3.54Å; L283-G304 VanDerWaalsContact O-O 3.12Å; L283-A305 WeakPolarHBondContact O-CA 3.37Å
284	S	92.8	Very high	93.9	Very high	39 Å²	39	42.9 Å²	42.9	27%	0.273	22%	0.22	S	C	.	.			trans	-98.6	-39.5	175.3	66.6	0	0	0	0	112.3	A260 P282 A305 S306 L307	A260-S284 PolarHBondContact O-N 3.49Å; A260-S284 PolarHBondContact O-OG 3.45Å; P282-S284 PolarHBondContact O-N 2.92Å; P282-S284 VanDerWaalsContact O-N 3.17Å; S284-A305 CarbonylContact O-C 3.16Å; S284-S306 PolarHBondContact O-N 2.85Å; S284-L307 WeakPolarHBondContact O-CB 3.26Å; S284-L307 WeakPolarHBondContact O-CG 3.31Å; S284-L307 PolarHBondContact O-N 2.97Å
285	F	93.2	Very high	93.8	Very high	82 Å²	82	39.9 Å²	39.9	36%	0.36	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.3	-174.3	176.5	-95.5	0	0	0	112.2	A261 I262 L307	A261-F285 VanDerWaalsContact CA-O 3.24Å; A261-F285 WeakPolarHBondContact CA-O 3.37Å; A261-F285 HydrophobicContact CB-CB 4.15Å; A261-F285 HydrophobicContact CB-CD1 4.36Å; I262-F285 PolarHBondContact N-O 3.4Å; F285-L307 HydrophobicContact CB-CB 4.45Å; F285-L307 HydrophobicContact CB-CD1 4.3Å
286	V	95.2	Very high	93.8	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	126.1	179.7	-179.6	0	0	0	0	107.5	I262 F291 L302 A305 M308	I262-V286 HydrophobicContact CB-CG1 4.48Å; I262-V286 WeakPolarHBondContact O-CA 3.33Å; V286-F291 HydrophobicContact CG1-CE2 3.83Å; V286-L302 HydrophobicContact CG1-CD1 4.34Å; V286-L302 HydrophobicContact CG1-CD2 4.2Å; V286-L302 HydrophobicContact CG2-CD2 3.92Å; V286-A305 HydrophobicContact CG2-CB 3.9Å; V286-M308 HydrophobicContact CB-CE 4.5Å; V286-M308 HydrophobicContact CB-SD 4.04Å; V286-M308 HydrophobicContact CG1-CE 4.48Å; V286-M308 HydrophobicContact CG2-SD 4.48Å
287	G	93.3	Very high	93.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.			trans	-65.2	138.6	177.7	0	0	0	0	0	112.9	I262 E264 S289 A290	I262-G287 PolarHBondContact O-N 3.15Å; E264-G287 VanDerWaalsContact CD-CA 3.4Å; E264-G287 WeakPolarHBondContact OE1-CA 3.38Å; G287-S289 PolarHBondContact O-N 3.29Å; G287-A290 WeakPolarHBondContact O-CB 3.46Å; G287-A290 PolarHBondContact O-N 2.81Å; G287-A290 VanDerWaalsContact O-N 3.08Å
288	A	91.9	Very high	93.7	Very high	35 Å²	35	41.2 Å²	41.2	29%	0.289	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.8	-176.4	0	0	0	0	0	113	E264 I313	E264-A288 VanDerWaalsContact CD-N 3.33Å; E264-A288 PolarHBondContact OE1-N 3.06Å; E264-A288 PolarHBondContact OE2-N 3.41Å; E264-A288 VanDerWaalsContact OE2-N 3.16Å; A288-I313 HydrophobicContact CB-CD1 4.33Å; A288-I313 HydrophobicContact CB-CG1 4.5Å; A288-I313 WeakPolarHBondContact O-CB 3.22Å; A288-I313 PolarHBondContact O-N 2.89Å
289	S	93.9	Very high	93.7	Very high	16 Å²	16	43.7 Å²	43.7	11%	0.112	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	7.3	176	68.4	0	0	0	0	114.4	E264 R265 G287 F291	E264-S289 WeakPolarHBondContact OE2-CA 3.44Å; E264-S289 VanDerWaalsContact OE2-CB 3.32Å; E264-S289 WeakPolarHBondContact OE2-CB 3.17Å; E264-S289 PolarHBondContact OE2-N 2.86Å; E264-S289 PolarHBondContact OE2-OG 3.11Å; R265-S289 WeakPolarHBondContact CG-OG 3.46Å; R265-S289 PolarHBondContact N-OG 3.3Å; G287-S289 PolarHBondContact O-N 3.29Å; S289-F291 VanDerWaalsContact C-N 3.31Å; S289-F291 PolarHBondContact O-N 3.26Å
290	A	95	Very high	93.8	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-39	-173.9	0	0	0	0	0	113.6	I262 P263 A266 F267 G287	I262-A290 HydrophobicContact CG2-CB 3.94Å; P263-A290 WeakPolarHBondContact O-CB 3.42Å; A266-A290 HydrophobicContact CB-CB 4.13Å; F267-A290 WeakPolarHBondContact CD2-O 3.44Å; G287-A290 WeakPolarHBondContact O-CB 3.46Å; G287-A290 PolarHBondContact O-N 2.81Å; G287-A290 VanDerWaalsContact O-N 3.08Å
291	F	94.6	Very high	93.8	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	24.6	-172.6	-60.3	-82.9	0	0	0	114.1	I262 F267 I276 F278 V286 S289 L294 L300 L302 L314 T317	I262-F291 HydrophobicContact CD1-CZ 4.22Å; F267-F291 AromaticContact CD2-CD1 3.95Å; F267-F291 HydrophobicContact CD2-CD1 3.95Å; F267-F291 AromaticContact CD2-CE1 3.95Å; F267-F291 HydrophobicContact CD2-CE1 3.95Å; F267-F291 AromaticContact CE2-CD1 3.88Å; F267-F291 HydrophobicContact CE2-CD1 3.88Å; F267-F291 AromaticContact CE2-CE1 3.39Å; F267-F291 HydrophobicContact CE2-CE1 3.39Å; F267-F291 AromaticContact CE2-CZ 3.85Å; F267-F291 HydrophobicContact CE2-CZ 3.85Å; F267-F291 HydrophobicContact CZ-CE1 4.32Å; I276-F291 HydrophobicContact CD1-CD1 4.45Å; I276-F291 HydrophobicContact CD1-CE1 4.24Å; F278-F291 HydrophobicContact CE1-CE1 4.05Å; F278-F291 AromaticContact CE1-CZ 3.97Å; F278-F291 HydrophobicContact CE1-CZ 3.97Å; F278-F291 HydrophobicContact CZ-CE1 4.5Å; F278-F291 HydrophobicContact CZ-CZ 4.06Å; V286-F291 HydrophobicContact CG1-CE2 3.83Å; S289-F291 VanDerWaalsContact C-N 3.31Å; S289-F291 PolarHBondContact O-N 3.26Å; F291-L294 HydrophobicContact CB-CD1 4.24Å; F291-L294 HydrophobicContact CD1-CD1 3.99Å; F291-L300 HydrophobicContact CB-CD2 4.27Å; F291-L300 HydrophobicContact CD1-CD1 3.71Å; F291-L300 HydrophobicContact CD1-CD2 4.36Å; F291-L300 HydrophobicContact CD2-CD1 4.23Å; F291-L300 HydrophobicContact CD2-CD2 4.21Å; F291-L300 HydrophobicContact CE1-CD1 3.47Å; F291-L300 VanDerWaalsContact CE1-CD1 3.47Å; F291-L300 HydrophobicContact CE2-CD1 4.04Å; F291-L300 HydrophobicContact CG-CD1 4.09Å; F291-L300 HydrophobicContact CG-CD2 4.03Å; F291-L300 HydrophobicContact CZ-CD1 3.66Å; F291-L302 HydrophobicContact CD2-CD1 4.41Å; F291-L302 HydrophobicContact CE2-CD1 3.86Å; F291-L302 HydrophobicContact CE2-CD2 4.07Å; F291-L302 HydrophobicContact CE2-CG 4.46Å; F291-L302 HydrophobicContact CZ-CD1 4.46Å; F291-L302 HydrophobicContact CZ-CD2 4.13Å; F291-L314 HydrophobicContact CB-CD2 4.07Å; F291-T317 PolarHBondContact O-OG1 3.39Å
292	Q	92.6	Very high	93.7	Very high	57 Å²	57	35.4 Å²	35.4	27%	0.266	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	151	172.9	-70.4	178.7	-2.3	0	0	111.7	L294 I313	Q292-L294 VanDerWaalsContact C-N 3.31Å; Q292-L294 PolarHBondContact O-N 3.17Å; Q292-I313 HydrophobicContact CG-CB 4.44Å; Q292-I313 HydrophobicContact CG-CG2 4.31Å; Q292-I313 WeakPolarHBondContact CG-O 3.34Å
293	N	92.1	Very high	93.5	Very high	77 Å²	77	38.3 Å²	38.3	41%	0.412	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	31.1	172.3	-165.7	55.2	0	0	0	115.2	T315 T317	N293-T315 PolarHBondContact N-O 3.45Å; N293-T317 PolarHBondContact N-OG1 3.33Å
294	L	94.6	Very high	93.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.215	C	C	.	.			trans	-105.2	64.2	177.7	-57.4	-178.2	0	0	0	110.3	F267 L273 I276 F291 Q292 D296 L297 T317	F267-L294 HydrophobicContact CB-CD1 4.13Å; F267-L294 HydrophobicContact CB-CD2 3.92Å; F267-L294 HydrophobicContact CD2-CD1 4.24Å; F267-L294 HydrophobicContact CG-CD1 4.44Å; L273-L294 HydrophobicContact CB-CD2 4.49Å; I276-L294 HydrophobicContact CD1-CD1 4.16Å; F291-L294 HydrophobicContact CB-CD1 4.24Å; F291-L294 HydrophobicContact CD1-CD1 3.99Å; Q292-L294 VanDerWaalsContact C-N 3.31Å; Q292-L294 PolarHBondContact O-N 3.17Å; L294-D296 PolarHBondContact O-N 3.39Å; L294-D296 VanDerWaalsContact O-N 3.13Å; L294-L297 HydrophobicContact CB-CB 3.9Å; L294-L297 HydrophobicContact CB-CD2 4.2Å; L294-L297 HydrophobicContact CD1-CD2 4.01Å; L294-L297 VanDerWaalsContact O-CB 3.25Å; L294-L297 WeakPolarHBondContact O-CB 3.39Å; L294-L297 PolarHBondContact O-N 2.95Å; L294-L297 VanDerWaalsContact O-N 3.09Å; L294-T317 HydrophobicContact CB-CG2 4.04Å; L294-T317 PolarHBondContact N-OG1 2.7Å
295	S	92.1	Very high	93.1	Very high	53 Å²	53	38 Å²	38	37%	0.371	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.9	-169.8	61.2	0	0	0	0	115	W316 N319	S295-W316 WeakPolarHBondContact CA-O 3.46Å; S295-N319 WeakPolarHBondContact O-CB 3.27Å; S295-N319 PolarHBondContact O-ND2 2.89Å
296	D	93.6	Very high	92.9	Very high	44 Å²	44	36.7 Å²	36.7	24%	0.235	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-6.2	177.6	-118.8	14.6	0	0	0	113.3	L273 R274 L294	L273-D296 CarbonylContact O-C 3.59Å; R274-D296 HydrophobicContact CG-CB 3.84Å; R274-D296 IonicContact CZ-OD2 2.86Å; R274-D296 IonicContact NE-OD2 2.67Å; R274-D296 PolarHBondContact NE-OD2 3.17Å; R274-D296 IonicContact NH2-OD1 3.6Å; R274-D296 IonicContact NH2-OD2 3.45Å; R274-D296 PolarHBondContact NH2-OD2 2.97Å; L294-D296 PolarHBondContact O-N 3.39Å; L294-D296 VanDerWaalsContact O-N 3.13Å
297	L	95.4	Very high	92.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.227	C	C	.	.			trans	-71.4	130.3	-175.2	-175.2	69.6	0	0	0	112.1	L273 I276 L294 T317 N319 L320	L273-L297 WeakPolarHBondContact O-CA 3.45Å; L273-L297 PolarHBondContact O-N 3.38Å; L273-L297 VanDerWaalsContact O-N 3.16Å; I276-L297 HydrophobicContact CD1-CD1 4.1Å; I276-L297 HydrophobicContact CG1-CD1 4Å; L294-L297 HydrophobicContact CB-CB 3.9Å; L294-L297 HydrophobicContact CB-CD2 4.2Å; L294-L297 HydrophobicContact CD1-CD2 4.01Å; L294-L297 VanDerWaalsContact O-CB 3.25Å; L294-L297 WeakPolarHBondContact O-CB 3.39Å; L294-L297 PolarHBondContact O-N 2.95Å; L294-L297 VanDerWaalsContact O-N 3.09Å; L297-T317 HydrophobicContact CB-CG2 4.32Å; L297-T317 HydrophobicContact CD2-CG2 3.96Å; L297-N319 CarbonylContact O-C 3.42Å; L297-L320 HydrophobicContact CD2-CD2 4.03Å; L297-L320 HydrophobicContact CG-CD2 3.94Å
298	R	93.6	Very high	92.6	Very high	111 Å²	111	41.6 Å²	41.6	42%	0.419	23%	0.229	S	C	.	.			trans	-106.8	-29.5	-175.7	-60.5	-47	-166.7	130.6	-16.8	115.8	R274 N319 D321 S322	R274-R298 PolarHBondContact O-N 3.38Å; R298-N319 WeakPolarHBondContact CD-O 3.44Å; R298-D321 WeakPolarHBondContact CD-OD2 3.44Å; R298-D321 IonicContact CZ-OD2 3.26Å; R298-D321 IonicContact NH1-OD2 2.7Å; R298-D321 PolarHBondContact NH1-OD2 3.49Å; R298-D321 PolarHBondContact O-N 3.23Å; R298-S322 PolarHBondContact O-N 3.14Å; R298-S322 VanDerWaalsContact O-N 3.14Å
299	S	94.6	Very high	92.6	Very high	58 Å²	58	46.2 Å²	46.2	41%	0.406	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.5	-179.2	-172.1	0	0	0	0	110.3	S322	S299-S322 WeakPolarHBondContact CA-O 3.31Å
300	L	94.9	Very high	92.4	Very high	2 Å²	2	51 Å²	51	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	113	173.1	177.2	56.9	0	0	0	109	F278 F291 L302 L314 L320 S322 L323 T324	F278-L300 HydrophobicContact CE1-CD1 4.31Å; F278-L300 HydrophobicContact CZ-CD1 4.03Å; F291-L300 HydrophobicContact CB-CD2 4.27Å; F291-L300 HydrophobicContact CD1-CD1 3.71Å; F291-L300 HydrophobicContact CD1-CD2 4.36Å; F291-L300 HydrophobicContact CD2-CD1 4.23Å; F291-L300 HydrophobicContact CD2-CD2 4.21Å; F291-L300 HydrophobicContact CE1-CD1 3.47Å; F291-L300 VanDerWaalsContact CE1-CD1 3.47Å; F291-L300 HydrophobicContact CE2-CD1 4.04Å; F291-L300 HydrophobicContact CG-CD1 4.09Å; F291-L300 HydrophobicContact CG-CD2 4.03Å; F291-L300 HydrophobicContact CZ-CD1 3.66Å; L300-L302 HydrophobicContact CD1-CD1 4.02Å; L300-L302 HydrophobicContact CD1-CG 4.07Å; L300-L302 HydrophobicContact CD2-CD1 4.28Å; L300-L302 HydrophobicContact CG-CD1 4.18Å; L300-L302 HydrophobicContact CG-CG 4.48Å; L300-L314 HydrophobicContact CD2-CD2 3.83Å; L300-L320 HydrophobicContact CB-CD2 4.09Å; L300-S322 PolarHBondContact N-O 3.14Å; L300-L323 HydrophobicContact CB-CD1 3.94Å; L300-L323 HydrophobicContact CD2-CD1 3.86Å; L300-L323 HydrophobicContact CG-CD1 4Å; L300-T324 PolarHBondContact O-N 3.42Å
301	M	93.4	Very high	92.4	Very high	72 Å²	72	52.1 Å²	52.1	36%	0.355	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	100.4	179.7	-178	174.8	-64.7	0	0	111.3	F278 R303 T324	F278-M301 WeakPolarHBondContact CE2-O 3.25Å; F278-M301 VanDerWaalsContact CZ-O 3.27Å; F278-M301 WeakPolarHBondContact CZ-O 3.5Å; M301-R303 HydrophobicContact CG-CG 4.15Å; M301-T324 CarbonylContact C-O 3.21Å; M301-T324 WeakPolarHBondContact CA-O 3.45Å; M301-T324 HydrophobicContact CG-CG2 3.95Å
302	L	92.6	Very high	92.3	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.4	174	-68.1	159.1	0	0	0	108.8	F278 V286 F291 L300 T324 L325 S326	F278-L302 HydrophobicContact CE2-CD2 3.45Å; F278-L302 VanDerWaalsContact CE2-CD2 3.45Å; F278-L302 HydrophobicContact CE2-CG 4.14Å; F278-L302 HydrophobicContact CZ-CD2 3.52Å; F278-L302 HydrophobicContact CZ-CG 3.95Å; V286-L302 HydrophobicContact CG1-CD1 4.34Å; V286-L302 HydrophobicContact CG1-CD2 4.2Å; V286-L302 HydrophobicContact CG2-CD2 3.92Å; F291-L302 HydrophobicContact CD2-CD1 4.41Å; F291-L302 HydrophobicContact CE2-CD1 3.86Å; F291-L302 HydrophobicContact CE2-CD2 4.07Å; F291-L302 HydrophobicContact CE2-CG 4.46Å; F291-L302 HydrophobicContact CZ-CD1 4.46Å; F291-L302 HydrophobicContact CZ-CD2 4.13Å; L300-L302 HydrophobicContact CD1-CD1 4.02Å; L300-L302 HydrophobicContact CD1-CG 4.07Å; L300-L302 HydrophobicContact CD2-CD1 4.28Å; L300-L302 HydrophobicContact CG-CD1 4.18Å; L300-L302 HydrophobicContact CG-CG 4.48Å; L302-T324 PolarHBondContact N-O 3.28Å; L302-L325 HydrophobicContact CB-CD2 3.92Å; L302-L325 HydrophobicContact CD1-CD2 3.52Å; L302-L325 HydrophobicContact CG-CD2 4.2Å; L302-L325 WeakPolarHBondContact O-CA 3.47Å; L302-S326 PolarHBondContact O-N 3.5Å
303	R	90.3	Very high	92.3	Very high	139 Å²	139	53.2 Å²	53.2	53%	0.525	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.9	-179.1	-71.1	-174.3	166.7	169	-2.4	111.1	M301 T324 S326 D348	M301-R303 HydrophobicContact CG-CG 4.15Å; R303-T324 HydrophobicContact CG-CG2 4.41Å; R303-S326 CarbonylContact C-O 3.57Å; R303-S326 VanDerWaalsContact CA-O 3.26Å; R303-S326 WeakPolarHBondContact CA-O 3.5Å; R303-D348 IonicContact NH2-OD2 3.76Å
304	G	85.9	Confident	92.3	Very high	41 Å²	41	50 Å²	50	42%	0.423	26%	0.261	S	S	.	.			trans	82.6	4.4	172.1	0	0	0	0	0	117	L283 S306 S326 G327	L283-G304 CarbonylContact O-C 3.54Å; L283-G304 VanDerWaalsContact O-O 3.12Å; G304-S306 PolarHBondContact O-N 3.1Å; G304-S326 PolarHBondContact N-O 3.04Å; G304-G327 CarbonylContact C-O 3.12Å; G304-G327 VanDerWaalsContact C-O 3.27Å; G304-G327 WeakPolarHBondContact CA-O 3.23Å
305	A	91.3	Very high	92.1	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.008	28%	0.277	C	S	.	.			trans	-69.8	69	-176.6	0	0	0	0	0	113.3	L283 S284 V286 L307 M308 G327 T328	L283-A305 WeakPolarHBondContact O-CA 3.37Å; S284-A305 CarbonylContact O-C 3.16Å; V286-A305 HydrophobicContact CG2-CB 3.9Å; A305-L307 PolarHBondContact O-N 3.13Å; A305-M308 HydrophobicContact CB-CB 4.16Å; A305-M308 VanDerWaalsContact O-CB 3.29Å; A305-M308 WeakPolarHBondContact O-CB 3.44Å; A305-M308 PolarHBondContact O-N 3.17Å; A305-G327 PolarHBondContact N-O 3.1Å; A305-T328 HydrophobicContact CB-CG2 4.02Å
306	S	89.9	Confident	91.9	Very high	55 Å²	55	59.1 Å²	59.1	39%	0.385	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-3	-166.9	64.6	0	0	0	0	116.7	S284 G304 K329	S284-S306 PolarHBondContact O-N 2.85Å; G304-S306 PolarHBondContact O-N 3.1Å; S306-K329 WeakPolarHBondContact O-CD 3.46Å; S306-K329 WeakPolarHBondContact O-CE 3.11Å; S306-K329 PolarHBondContact O-NZ 2.88Å
307	L	91.4	Very high	91.9	Very high	99 Å²	99	57 Å²	57	52%	0.518	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-12.2	170.8	-55.1	176.2	0	0	0	113.1	S284 F285 A305 K309	S284-L307 WeakPolarHBondContact O-CB 3.26Å; S284-L307 WeakPolarHBondContact O-CG 3.31Å; S284-L307 PolarHBondContact O-N 2.97Å; F285-L307 HydrophobicContact CB-CB 4.45Å; F285-L307 HydrophobicContact CB-CD1 4.3Å; A305-L307 PolarHBondContact O-N 3.13Å; L307-K309 PolarHBondContact O-N 3.25Å
308	M	91.6	Very high	91.6	Very high	9 Å²	9	60 Å²	60	4%	0.044	30%	0.299	C	S	.	.			trans	-76.1	118.8	179.2	-170	178.1	-167.6	0	0	110.4	V286 A305 P312 K329	V286-M308 HydrophobicContact CB-CE 4.5Å; V286-M308 HydrophobicContact CB-SD 4.04Å; V286-M308 HydrophobicContact CG1-CE 4.48Å; V286-M308 HydrophobicContact CG2-SD 4.48Å; A305-M308 HydrophobicContact CB-CB 4.16Å; A305-M308 VanDerWaalsContact O-CB 3.29Å; A305-M308 WeakPolarHBondContact O-CB 3.44Å; A305-M308 PolarHBondContact O-N 3.17Å; M308-P312 HydrophobicContact CE-CB 3.86Å; M308-P312 HydrophobicContact CE-CG 4.07Å; M308-K329 CarbonylContact O-C 3.13Å; M308-K329 WeakPolarHBondContact O-CA 3.48Å; M308-K329 WeakPolarHBondContact O-CB 3.3Å; M308-K329 PolarHBondContact O-N 3.33Å
309	K	90.4	Very high	91.6	Very high	131 Å²	131	56.6 Å²	56.6	57%	0.57	29%	0.289	S	S	*	.			trans	-111.6	-23.1	-176.6	-65.9	-177.9	-179.4	-179.7	0	114.7	L307 K329 I330	L307-K309 PolarHBondContact O-N 3.25Å; K309-K329 HydrophobicContact CG-CB 4.29Å; K309-I330 WeakPolarHBondContact O-CA 3.32Å
310	D	91.3	Very high	91.6	Very high	117 Å²	117	53.9 Å²	53.9	63%	0.626	27%	0.27	S	S	*	.	S	Bend	trans	-115	149.5	-172.2	-53.6	-69.8	0	0	0	108.8
311	F	93.3	Very high	91.6	Very high	24 Å²	24	55.5 Å²	55.5	11%	0.105	28%	0.278	C	S	.	.			trans	-69.1	140.4	-179.8	-162.9	-89.7	0	0	0	110.6	L314 L323 L325 I330 I333 P334 L337 L349	F311-L314 HydrophobicContact CE1-CD1 4.19Å; F311-L323 HydrophobicContact CZ-CD2 3.82Å; F311-L325 HydrophobicContact CD2-CD1 3.98Å; F311-L325 HydrophobicContact CE2-CD1 3.64Å; F311-L325 HydrophobicContact CZ-CD1 4.07Å; F311-I330 HydrophobicContact CD2-CD1 4.39Å; F311-I330 HydrophobicContact CD2-CG2 4.34Å; F311-I333 HydrophobicContact CE2-CG2 4.36Å; F311-P334 HydrophobicContact CB-CG 3.95Å; F311-P334 HydrophobicContact CD1-CG 3.66Å; F311-P334 HydrophobicContact CE1-CG 4.35Å; F311-P334 VanDerWaalsContact CG-CD 3.45Å; F311-P334 HydrophobicContact CG-CG 3.87Å; F311-L337 HydrophobicContact CE1-CD1 3.6Å; F311-L337 HydrophobicContact CZ-CD1 3.59Å; F311-L337 HydrophobicContact CZ-CD2 4.05Å; F311-L337 HydrophobicContact CZ-CG 4.48Å; F311-L349 HydrophobicContact CE2-CD1 4.18Å; F311-L349 HydrophobicContact CE2-CD2 4.24Å
312	P	94.1	Very high	91.7	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.032	27%	0.27	C	S	.	.			trans	-65.7	143.5	-179.3	26.8	-33.7	0	0	0	111.7	M308 L314 L325	M308-P312 HydrophobicContact CE-CB 3.86Å; M308-P312 HydrophobicContact CE-CG 4.07Å; P312-L314 HydrophobicContact CB-CD2 4.37Å; P312-L314 HydrophobicContact CG-CD2 4.43Å; P312-L314 HydrophobicContact CG-CG 4.39Å; P312-L314 PolarHBondContact O-N 3.06Å; P312-L325 VanDerWaalsContact CD-CD1 3.49Å; P312-L325 HydrophobicContact CG-CD1 3.75Å; P312-L325 HydrophobicContact CG-CD2 4.22Å
313	I	92.2	Very high	91.9	Very high	77 Å²	77	53.2 Å²	53.2	40%	0.395	27%	0.27	S	S	.	.			trans	-83	103.4	178.4	-54.7	169.2	0	0	0	108.1	A288 Q292 T315	A288-I313 HydrophobicContact CB-CD1 4.33Å; A288-I313 HydrophobicContact CB-CG1 4.5Å; A288-I313 WeakPolarHBondContact O-CB 3.22Å; A288-I313 PolarHBondContact O-N 2.89Å; Q292-I313 HydrophobicContact CG-CB 4.44Å; Q292-I313 HydrophobicContact CG-CG2 4.31Å; Q292-I313 WeakPolarHBondContact CG-O 3.34Å; I313-T315 VanDerWaalsContact C-N 3.35Å; I313-T315 HydrophobicContact CG2-CG2 3.87Å; I313-T315 PolarHBondContact O-N 3.16Å
314	L	92.3	Very high	92.2	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.042	25%	0.246	C	C	.	.			trans	-96.1	27.4	-174.7	-61.7	174.4	0	0	0	113.3	F291 L300 F311 P312 W316 T317 L320 L323 L341	F291-L314 HydrophobicContact CB-CD2 4.07Å; L300-L314 HydrophobicContact CD2-CD2 3.83Å; F311-L314 HydrophobicContact CE1-CD1 4.19Å; P312-L314 HydrophobicContact CB-CD2 4.37Å; P312-L314 HydrophobicContact CG-CD2 4.43Å; P312-L314 HydrophobicContact CG-CG 4.39Å; P312-L314 PolarHBondContact O-N 3.06Å; L314-W316 PolarHBondContact O-N 3.08Å; L314-T317 WeakPolarHBondContact O-CB 3.43Å; L314-T317 PolarHBondContact O-N 2.91Å; L314-L320 HydrophobicContact CD1-CD1 4Å; L314-L323 HydrophobicContact CD1-CD1 4.34Å; L314-L323 HydrophobicContact CD1-CD2 3.94Å; L314-L341 HydrophobicContact CD1-CD1 3.96Å
315	T	89.9	Confident	92.6	Very high	55 Å²	55	45 Å²	45	34%	0.337	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	130.8	-178.3	50	0	0	0	0	111.7	N293 I313 T317	N293-T315 PolarHBondContact N-O 3.45Å; I313-T315 VanDerWaalsContact C-N 3.35Å; I313-T315 HydrophobicContact CG2-CG2 3.87Å; I313-T315 PolarHBondContact O-N 3.16Å; T315-T317 PolarHBondContact O-N 2.75Å
316	W	88.2	Confident	92.8	Very high	191 Å²	191	45.6 Å²	45.6	72%	0.723	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	5.8	-172.8	-49.4	100.2	0	0	0	116.1	S295 L314 N318	S295-W316 WeakPolarHBondContact CA-O 3.46Å; L314-W316 PolarHBondContact O-N 3.08Å; W316-N318 PolarHBondContact O-N 3.48Å
317	T	92.6	Very high	92.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.			trans	-101	55.1	176.6	-56.5	0	0	0	0	109.5	F291 N293 L294 L297 L314 T315 L320 L341	F291-T317 PolarHBondContact O-OG1 3.39Å; N293-T317 PolarHBondContact N-OG1 3.33Å; L294-T317 HydrophobicContact CB-CG2 4.04Å; L294-T317 PolarHBondContact N-OG1 2.7Å; L297-T317 HydrophobicContact CB-CG2 4.32Å; L297-T317 HydrophobicContact CD2-CG2 3.96Å; L314-T317 WeakPolarHBondContact O-CB 3.43Å; L314-T317 PolarHBondContact O-N 2.91Å; T315-T317 PolarHBondContact O-N 2.75Å; T317-L320 HydrophobicContact CG2-CD1 4.09Å; T317-L320 HydrophobicContact CG2-CG 4.15Å; T317-L341 WeakPolarHBondContact O-CD2 3.24Å
318	N	90	Very high	93	Very high	65 Å²	65	40 Å²	40	35%	0.348	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-10.4	-163.2	63	-2.9	0	0	0	116	W316	W316-N318 PolarHBondContact O-N 3.48Å
319	N	92.6	Very high	93.1	Very high	39 Å²	39	43.6 Å²	43.6	21%	0.209	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	17.9	-178.5	-70.9	-48.8	0	0	0	114	S295 L297 R298 D321 F343	S295-N319 WeakPolarHBondContact O-CB 3.27Å; S295-N319 PolarHBondContact O-ND2 2.89Å; L297-N319 CarbonylContact O-C 3.42Å; R298-N319 WeakPolarHBondContact CD-O 3.44Å; N319-D321 PolarHBondContact O-N 2.87Å; N319-F343 WeakPolarHBondContact OD1-CD2 3.26Å; N319-F343 WeakPolarHBondContact OD1-CE2 3.35Å
320	L	94.6	Very high	93.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.			trans	-63.1	123	175.1	-74	172.1	0	0	0	111.2	L297 L300 L314 T317 L341 F343 L344	L297-L320 HydrophobicContact CD2-CD2 4.03Å; L297-L320 HydrophobicContact CG-CD2 3.94Å; L300-L320 HydrophobicContact CB-CD2 4.09Å; L314-L320 HydrophobicContact CD1-CD1 4Å; T317-L320 HydrophobicContact CG2-CD1 4.09Å; T317-L320 HydrophobicContact CG2-CG 4.15Å; L320-L341 HydrophobicContact CB-CD2 4.49Å; L320-L341 HydrophobicContact CD1-CD1 4.29Å; L320-L341 HydrophobicContact CD1-CD2 4.14Å; L320-F343 CarbonylContact O-C 3.59Å; L320-L344 HydrophobicContact CB-CD1 4.38Å; L320-L344 WeakPolarHBondContact O-CA 3.06Å; L320-L344 PolarHBondContact O-N 2.83Å
321	D	95	Very high	93.3	Very high	37 Å²	37	34.1 Å²	34.1	20%	0.198	18%	0.179	C	C	.	.	S	Bend	trans	-90.4	-28.1	169.8	-69.4	-74	0	0	0	111.1	R298 N319 Q345 T346	R298-D321 WeakPolarHBondContact CD-OD2 3.44Å; R298-D321 IonicContact CZ-OD2 3.26Å; R298-D321 IonicContact NH1-OD2 2.7Å; R298-D321 PolarHBondContact NH1-OD2 3.49Å; R298-D321 PolarHBondContact O-N 3.23Å; N319-D321 PolarHBondContact O-N 2.87Å; D321-Q345 HydrophobicContact CB-CG 4.45Å; D321-Q345 WeakPolarHBondContact O-CA 3.37Å; D321-Q345 WeakPolarHBondContact O-CB 3.35Å; D321-Q345 PolarHBondContact O-N 3.5Å; D321-Q345 PolarHBondContact OD1-NE2 3.06Å; D321-T346 PolarHBondContact O-N 2.69Å
322	S	96.3	Very high	93.4	Very high	25 Å²	25	36.6 Å²	36.6	18%	0.175	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.4	179.2	-179.1	0	0	0	0	112.8	R298 S299 L300	R298-S322 PolarHBondContact O-N 3.14Å; R298-S322 VanDerWaalsContact O-N 3.14Å; S299-S322 WeakPolarHBondContact CA-O 3.31Å; L300-S322 PolarHBondContact N-O 3.14Å
323	L	96.3	Very high	93.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	117.8	175	-178.3	60.9	0	0	0	110.6	L300 F311 L314 L325 L341 L344 T346 L347 D348	L300-L323 HydrophobicContact CB-CD1 3.94Å; L300-L323 HydrophobicContact CD2-CD1 3.86Å; L300-L323 HydrophobicContact CG-CD1 4Å; F311-L323 HydrophobicContact CZ-CD2 3.82Å; L314-L323 HydrophobicContact CD1-CD1 4.34Å; L314-L323 HydrophobicContact CD1-CD2 3.94Å; L323-L325 HydrophobicContact CD1-CD2 3.88Å; L323-L325 HydrophobicContact CD1-CG 4.1Å; L323-L325 HydrophobicContact CG-CG 4.33Å; L323-L341 HydrophobicContact CD2-CD1 3.96Å; L323-L344 HydrophobicContact CB-CD1 3.81Å; L323-T346 PolarHBondContact N-O 3.21Å; L323-L347 HydrophobicContact CB-CD1 4.29Å; L323-L347 HydrophobicContact CD2-CD1 4.13Å; L323-L347 HydrophobicContact CG-CD1 4.33Å; L323-L347 WeakPolarHBondContact O-CA 3.43Å; L323-D348 PolarHBondContact O-N 3Å
324	T	96.1	Very high	93.4	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.037	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.8	175.6	-61.9	0	0	0	0	109.4	L300 M301 L302 R303 D348	L300-T324 PolarHBondContact O-N 3.42Å; M301-T324 CarbonylContact C-O 3.21Å; M301-T324 WeakPolarHBondContact CA-O 3.45Å; M301-T324 HydrophobicContact CG-CG2 3.95Å; L302-T324 PolarHBondContact N-O 3.28Å; R303-T324 HydrophobicContact CG-CG2 4.41Å; T324-D348 CarbonylContact C-O 3.41Å; T324-D348 VanDerWaalsContact CA-O 3.29Å; T324-D348 WeakPolarHBondContact CA-O 3.26Å; T324-D348 HydrophobicContact CG2-CB 4.02Å; T324-D348 VanDerWaalsContact CG2-OD2 3.32Å; T324-D348 WeakPolarHBondContact CG2-OD2 3.41Å
325	L	95.3	Very high	93.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	92.6	170.7	-43.5	174	0	0	0	107.4	L302 F311 P312 L323 I330 D348 L349 N352	L302-L325 HydrophobicContact CB-CD2 3.92Å; L302-L325 HydrophobicContact CD1-CD2 3.52Å; L302-L325 HydrophobicContact CG-CD2 4.2Å; L302-L325 WeakPolarHBondContact O-CA 3.47Å; F311-L325 HydrophobicContact CD2-CD1 3.98Å; F311-L325 HydrophobicContact CE2-CD1 3.64Å; F311-L325 HydrophobicContact CZ-CD1 4.07Å; P312-L325 VanDerWaalsContact CD-CD1 3.49Å; P312-L325 HydrophobicContact CG-CD1 3.75Å; P312-L325 HydrophobicContact CG-CD2 4.22Å; L323-L325 HydrophobicContact CD1-CD2 3.88Å; L323-L325 HydrophobicContact CD1-CG 4.1Å; L323-L325 HydrophobicContact CG-CG 4.33Å; L325-I330 HydrophobicContact CB-CD1 4.04Å; L325-I330 HydrophobicContact CD1-CD1 3.68Å; L325-D348 PolarHBondContact N-O 3.44Å; L325-L349 HydrophobicContact CB-CD2 3.58Å; L325-L349 HydrophobicContact CD1-CD2 3.78Å; L325-L349 HydrophobicContact CG-CD2 3.77Å; L325-N352 PolarHBondContact O-ND2 3.46Å
326	S	94.9	Very high	93.4	Very high	15 Å²	15	40.6 Å²	40.6	11%	0.105	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.8	-170.7	-178	0	0	0	0	112.7	L302 R303 G304 S350	L302-S326 PolarHBondContact O-N 3.5Å; R303-S326 CarbonylContact C-O 3.57Å; R303-S326 VanDerWaalsContact CA-O 3.26Å; R303-S326 WeakPolarHBondContact CA-O 3.5Å; G304-S326 PolarHBondContact N-O 3.04Å; S326-S350 VanDerWaalsContact CA-O 3.23Å; S326-S350 WeakPolarHBondContact CA-O 3.28Å; S326-S350 PolarHBondContact OG-O 3.03Å; S326-S350 VanDerWaalsContact OG-O 3.12Å; S326-S350 PolarHBondContact OG-OG 3.44Å
327	G	91.9	Very high	93.6	Very high	28 Å²	28	32 Å²	32	29%	0.289	20%	0.2	S	C	.	.	S	Bend	trans	70.7	38.1	-178.8	0	0	0	0	0	113.4	G304 A305 S350 Y351	G304-G327 CarbonylContact C-O 3.12Å; G304-G327 VanDerWaalsContact C-O 3.27Å; G304-G327 WeakPolarHBondContact CA-O 3.23Å; A305-G327 PolarHBondContact N-O 3.1Å; G327-S350 PolarHBondContact N-O 3.04Å; G327-Y351 CarbonylContact C-O 3.55Å; G327-Y351 WeakPolarHBondContact CA-O 3.33Å; G327-Y351 PolarHBondContact N-O 3.08Å; G327-Y351 VanDerWaalsContact N-O 3.07Å
328	T	93.3	Very high	93.5	Very high	9 Å²	9	32.2 Å²	32.2	6%	0.055	20%	0.202	C	C	.	.	S	Bend	trans	-115.7	-163	177.1	82	0	0	0	0	110	A305 I330 Y351 N352	A305-T328 HydrophobicContact CB-CG2 4.02Å; T328-I330 WeakPolarHBondContact OG1-CG1 3.34Å; T328-I330 PolarHBondContact OG1-N 3.38Å; T328-Y351 PolarHBondContact N-O 2.72Å; T328-N352 WeakPolarHBondContact CA-OD1 3.37Å; T328-N352 WeakPolarHBondContact CB-OD1 3.14Å; T328-N352 PolarHBondContact N-OD1 3.04Å; T328-N352 PolarHBondContact OG1-OD1 3.3Å
329	K	93.6	Very high	93.4	Very high	83 Å²	83	36.2 Å²	36.2	36%	0.361	22%	0.218	S	C	.	.			trans	-123.2	27.3	175.1	-61.8	-174.2	176	134.6	0	112.6	S306 M308 K309 S331 E353	S306-K329 WeakPolarHBondContact O-CD 3.46Å; S306-K329 WeakPolarHBondContact O-CE 3.11Å; S306-K329 PolarHBondContact O-NZ 2.88Å; M308-K329 CarbonylContact O-C 3.13Å; M308-K329 WeakPolarHBondContact O-CA 3.48Å; M308-K329 WeakPolarHBondContact O-CB 3.3Å; M308-K329 PolarHBondContact O-N 3.33Å; K309-K329 HydrophobicContact CG-CB 4.29Å; K329-S331 PolarHBondContact O-N 2.93Å; K329-E353 HydrophobicContact CB-CG 4.47Å; K329-E353 WeakPolarHBondContact CD-OE1 3.36Å; K329-E353 WeakPolarHBondContact CG-OE1 3.39Å
330	I	94.7	Very high	93.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.226	C	C	.	.			trans	-56.9	123.5	172.5	-68.8	169.8	0	0	0	109	K309 F311 L325 T328 S332 E353 V354	K309-I330 WeakPolarHBondContact O-CA 3.32Å; F311-I330 HydrophobicContact CD2-CD1 4.39Å; F311-I330 HydrophobicContact CD2-CG2 4.34Å; L325-I330 HydrophobicContact CB-CD1 4.04Å; L325-I330 HydrophobicContact CD1-CD1 3.68Å; T328-I330 WeakPolarHBondContact OG1-CG1 3.34Å; T328-I330 PolarHBondContact OG1-N 3.38Å; I330-S332 VanDerWaalsContact CG2-O 3.27Å; I330-S332 WeakPolarHBondContact CG2-O 3.48Å; I330-E353 CarbonylContact O-C 3.13Å; I330-E353 WeakPolarHBondContact O-CA 3.44Å; I330-E353 PolarHBondContact O-N 3.34Å; I330-V354 HydrophobicContact CG2-CG2 4.3Å; I330-V354 WeakPolarHBondContact O-CG2 3.43Å; I330-V354 PolarHBondContact O-N 3.15Å
331	S	93.1	Very high	93	Very high	49 Å²	49	37.8 Å²	37.8	34%	0.343	23%	0.227	S	C	.	.			trans	-111.3	-15.3	-173.6	62.9	0	0	0	0	114.6	K329	K329-S331 PolarHBondContact O-N 2.93Å
332	S	93.5	Very high	92.8	Very high	76 Å²	76	41.8 Å²	41.8	53%	0.531	24%	0.242	S	C	.	.			trans	-145.8	158.7	175.8	58.3	0	0	0	0	110.5	I330	I330-S332 VanDerWaalsContact CG2-O 3.27Å; I330-S332 WeakPolarHBondContact CG2-O 3.48Å
333	I	94.6	Very high	92.6	Very high	15 Å²	15	44.1 Å²	44.1	8%	0.077	25%	0.25	C	C	.	.			trans	-118.7	136	178.9	-54.7	168.3	0	0	0	107.2	F311 L337 L349 V354 L357 P358 F360 F371	F311-I333 HydrophobicContact CE2-CG2 4.36Å; I333-L337 HydrophobicContact CG2-CD2 3.65Å; I333-L349 HydrophobicContact CD1-CD1 3.7Å; I333-L349 HydrophobicContact CG1-CD1 4.05Å; I333-V354 HydrophobicContact CD1-CG1 4.08Å; I333-V354 HydrophobicContact CG1-CG1 4.28Å; I333-V354 HydrophobicContact CG1-CG2 4.4Å; I333-L357 HydrophobicContact CD1-CD2 3.83Å; I333-P358 HydrophobicContact CB-CG 4.08Å; I333-P358 HydrophobicContact CG2-CG 4.03Å; I333-F360 HydrophobicContact CD1-CZ 4.24Å; I333-F371 HydrophobicContact CD1-CE1 3.58Å; I333-F371 HydrophobicContact CD1-CZ 4.05Å
334	P	93.6	Very high	92.6	Very high	44 Å²	44	44.1 Å²	44.1	29%	0.286	25%	0.25	S	C	.	.			trans	-60.9	140.6	176.6	-20.1	31.9	0	0	0	111.8	F311 D336 L337	F311-P334 HydrophobicContact CB-CG 3.95Å; F311-P334 HydrophobicContact CD1-CG 3.66Å; F311-P334 HydrophobicContact CE1-CG 4.35Å; F311-P334 VanDerWaalsContact CG-CD 3.45Å; F311-P334 HydrophobicContact CG-CG 3.87Å; P334-D336 VanDerWaalsContact C-N 3.31Å; P334-D336 WeakPolarHBondContact CB-OD1 3.26Å; P334-L337 WeakPolarHBondContact O-CB 3.46Å; P334-L337 PolarHBondContact O-N 3.3Å
335	A	91.3	Very high	92.6	Very high	78 Å²	78	46.9 Å²	46.9	65%	0.645	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-25.3	-180	0	0	0	0	0	112.6	L337 P358	A335-L337 VanDerWaalsContact C-N 3.29Å; A335-P358 HydrophobicContact CB-CB 4.33Å
336	D	90.4	Very high	92.7	Very high	92 Å²	92	48.5 Å²	48.5	49%	0.492	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-2.6	175.7	44.4	-22.2	0	0	0	113.7	P334 C338 E339 D340	P334-D336 VanDerWaalsContact C-N 3.31Å; P334-D336 WeakPolarHBondContact CB-OD1 3.26Å; D336-C338 VanDerWaalsContact C-N 3.25Å; D336-C338 PolarHBondContact O-N 3.28Å; D336-C338 VanDerWaalsContact O-N 3.14Å; D336-E339 WeakPolarHBondContact O-CA 3.18Å; D336-E339 WeakPolarHBondContact O-CB 3.27Å; D336-E339 PolarHBondContact O-N 3.08Å; D336-D340 PolarHBondContact O-N 2.94Å
337	L	91.9	Very high	92.8	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.052	27%	0.267	C	S	.	.	H	α-helix	trans	-53.2	-38.9	-179	-176.8	65.1	0	0	0	113.6	F311 I333 P334 A335 L341 F360	F311-L337 HydrophobicContact CE1-CD1 3.6Å; F311-L337 HydrophobicContact CZ-CD1 3.59Å; F311-L337 HydrophobicContact CZ-CD2 4.05Å; F311-L337 HydrophobicContact CZ-CG 4.48Å; I333-L337 HydrophobicContact CG2-CD2 3.65Å; P334-L337 WeakPolarHBondContact O-CB 3.46Å; P334-L337 PolarHBondContact O-N 3.3Å; A335-L337 VanDerWaalsContact C-N 3.29Å; L337-L341 HydrophobicContact CD1-CD1 3.58Å; L337-L341 HydrophobicContact CD1-CG 4.09Å; L337-L341 HydrophobicContact CG-CD1 4.42Å; L337-L341 WeakPolarHBondContact O-CB 3.28Å; L337-L341 PolarHBondContact O-N 3.12Å; L337-F360 HydrophobicContact CD2-CE1 4.47Å
338	C	91.3	Very high	93.1	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.034	26%	0.258	C	S	.	.	H	α-helix	trans	-86.4	-7	177.9	-69.2	0	0	0	0	114.2	D336 F360 Q361 C363	D336-C338 VanDerWaalsContact C-N 3.25Å; D336-C338 PolarHBondContact O-N 3.28Å; D336-C338 VanDerWaalsContact O-N 3.14Å; C338-F360 PolarHBondContact SG-O 3.15Å; C338-Q361 VanDerWaalsContact CB-O 3.28Å; C338-Q361 WeakPolarHBondContact CB-O 3.37Å; C338-C363 WeakPolarHBondContact CA-SG 3.16Å; C338-C363 HydrophobicContact CB-CB 4.02Å; C338-C363 WeakPolarHBondContact CB-SG 3.39Å; C338-C363 WeakPolarHBondContact SG-CB 3.43Å; C338-C363 CovalentContact SG-SG 2.04Å; C338-C363 PolarHBondContact SG-SG 2.96Å
339	E	88.1	Confident	93.2	Very high	149 Å²	149	47 Å²	47	70%	0.696	26%	0.256	S	S	*	.	H	α-helix	trans	-79.2	-34.6	165.4	-59.7	-159.2	169.9	0	0	111.2	D336 K342	D336-E339 WeakPolarHBondContact O-CA 3.18Å; D336-E339 WeakPolarHBondContact O-CB 3.27Å; D336-E339 PolarHBondContact O-N 3.08Å; E339-K342 WeakPolarHBondContact O-CE 3.49Å
340	D	86.5	Confident	93.4	Very high	71 Å²	71	43.4 Å²	43.4	38%	0.38	24%	0.241	S	C	.	.	H	α-helix	trans	-80.8	-54	174.2	-87.3	-21.5	0	0	0	112.6	D336 K342	D336-D340 PolarHBondContact O-N 2.94Å; D340-K342 PolarHBondContact O-N 2.93Å
341	L	91.9	Very high	93.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	26%	0.261	C	S	.	.			trans	-95.3	52.8	-165.3	-55	-171.2	0	0	0	114.2	L314 T317 L320 L323 L337 F343 L344	L314-L341 HydrophobicContact CD1-CD1 3.96Å; T317-L341 WeakPolarHBondContact O-CD2 3.24Å; L320-L341 HydrophobicContact CB-CD2 4.49Å; L320-L341 HydrophobicContact CD1-CD1 4.29Å; L320-L341 HydrophobicContact CD1-CD2 4.14Å; L323-L341 HydrophobicContact CD2-CD1 3.96Å; L337-L341 HydrophobicContact CD1-CD1 3.58Å; L337-L341 HydrophobicContact CD1-CG 4.09Å; L337-L341 HydrophobicContact CG-CD1 4.42Å; L337-L341 WeakPolarHBondContact O-CB 3.28Å; L337-L341 PolarHBondContact O-N 3.12Å; L341-F343 PolarHBondContact O-N 3.34Å; L341-L344 HydrophobicContact CB-CB 4.23Å; L341-L344 HydrophobicContact CD1-CD2 4.32Å; L341-L344 WeakPolarHBondContact O-CB 3.38Å; L341-L344 PolarHBondContact O-N 2.99Å; L341-L344 VanDerWaalsContact O-N 3.12Å
342	K	90.3	Very high	93.6	Very high	122 Å²	122	46.5 Å²	46.5	53%	0.53	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-13.9	-174.4	-55.4	-172	-168.3	-170.8	0	115.3	E339 D340	E339-K342 WeakPolarHBondContact O-CE 3.49Å; D340-K342 PolarHBondContact O-N 2.93Å
343	F	92.8	Very high	93.8	Very high	74 Å²	74	46.6 Å²	46.6	33%	0.325	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-7.3	179.6	-66.1	-60.3	0	0	0	114.7	N319 L320 L341 Q345	N319-F343 WeakPolarHBondContact OD1-CD2 3.26Å; N319-F343 WeakPolarHBondContact OD1-CE2 3.35Å; L320-F343 CarbonylContact O-C 3.59Å; L341-F343 PolarHBondContact O-N 3.34Å; F343-Q345 WeakPolarHBondContact O-CG 3.33Å; F343-Q345 PolarHBondContact O-N 2.72Å
344	L	95.5	Very high	93.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.			trans	-59.6	131.5	-171.2	-164.6	66.8	0	0	0	112.9	L320 L323 L341 L347 R365 L366	L320-L344 HydrophobicContact CB-CD1 4.38Å; L320-L344 WeakPolarHBondContact O-CA 3.06Å; L320-L344 PolarHBondContact O-N 2.83Å; L323-L344 HydrophobicContact CB-CD1 3.81Å; L341-L344 HydrophobicContact CB-CB 4.23Å; L341-L344 HydrophobicContact CD1-CD2 4.32Å; L341-L344 WeakPolarHBondContact O-CB 3.38Å; L341-L344 PolarHBondContact O-N 2.99Å; L341-L344 VanDerWaalsContact O-N 3.12Å; L344-L347 HydrophobicContact CD2-CB 4.1Å; L344-L347 HydrophobicContact CD2-CD1 4.18Å; L344-R365 CarbonylContact O-C 3.55Å; L344-R365 WeakPolarHBondContact O-CB 3.15Å; L344-L366 HydrophobicContact CB-CD2 4.28Å; L344-L366 HydrophobicContact CD2-CD2 4.05Å; L344-L366 HydrophobicContact CG-CD2 3.89Å; L344-L366 PolarHBondContact O-N 3.09Å; L344-L366 VanDerWaalsContact O-N 3.14Å
345	Q	96.3	Very high	93.8	Very high	64 Å²	64	49.4 Å²	49.4	30%	0.299	25%	0.246	S	C	.	.			trans	-112.8	-37.3	-177.9	-50.4	-171.5	45.8	0	0	112	D321 F343 R365 Q367 E368	D321-Q345 HydrophobicContact CB-CG 4.45Å; D321-Q345 WeakPolarHBondContact O-CA 3.37Å; D321-Q345 WeakPolarHBondContact O-CB 3.35Å; D321-Q345 PolarHBondContact O-N 3.5Å; D321-Q345 PolarHBondContact OD1-NE2 3.06Å; F343-Q345 WeakPolarHBondContact O-CG 3.33Å; F343-Q345 PolarHBondContact O-N 2.72Å; Q345-R365 HydrophobicContact CG-CB 4.49Å; Q345-Q367 PolarHBondContact O-N 3.12Å; Q345-E368 PolarHBondContact O-N 3.46Å; Q345-E368 VanDerWaalsContact O-N 3.1Å
346	T	97.6	Very high	93.9	Very high	34 Å²	34	52.8 Å²	52.8	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.1	177.2	-61.4	0	0	0	0	110.6	D321 L323 E368	D321-T346 PolarHBondContact O-N 2.69Å; L323-T346 PolarHBondContact N-O 3.21Å; T346-E368 WeakPolarHBondContact CA-O 3.23Å; T346-E368 HydrophobicContact CG2-CB 4.08Å; T346-E368 PolarHBondContact OG1-OE2 2.94Å; T346-E368 VanDerWaalsContact OG1-OE2 3.04Å
347	L	97.3	Very high	94.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	108.1	174.6	179.3	61.6	0	0	0	110.2	L323 L344 L349 F360 L366 E368 I369 S370 F371	L323-L347 HydrophobicContact CB-CD1 4.29Å; L323-L347 HydrophobicContact CD2-CD1 4.13Å; L323-L347 HydrophobicContact CG-CD1 4.33Å; L323-L347 WeakPolarHBondContact O-CA 3.43Å; L344-L347 HydrophobicContact CD2-CB 4.1Å; L344-L347 HydrophobicContact CD2-CD1 4.18Å; L347-L349 HydrophobicContact CD1-CD1 3.82Å; L347-L349 HydrophobicContact CD1-CD2 4.31Å; L347-L349 HydrophobicContact CD1-CG 3.81Å; L347-L349 HydrophobicContact CD2-CD1 4.35Å; L347-L349 HydrophobicContact CG-CD1 4.19Å; L347-L349 HydrophobicContact CG-CG 4.21Å; L347-F360 HydrophobicContact CD2-CD1 4.42Å; L347-F360 HydrophobicContact CD2-CE1 3.98Å; L347-L366 HydrophobicContact CB-CD2 3.95Å; L347-E368 PolarHBondContact N-O 3.43Å; L347-I369 CarbonylContact O-C 3.54Å; L347-I369 WeakPolarHBondContact O-CA 3.28Å; L347-S370 PolarHBondContact O-N 3.04Å; L347-F371 HydrophobicContact CD2-CZ 4.26Å
348	D	97.7	Very high	94.3	Very high	18 Å²	18	50 Å²	50	10%	0.096	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	105.6	176.4	177	26.4	0	0	0	110.7	R303 L323 T324 L325 S350 S370	R303-D348 IonicContact NH2-OD2 3.76Å; L323-D348 PolarHBondContact O-N 3Å; T324-D348 CarbonylContact C-O 3.41Å; T324-D348 VanDerWaalsContact CA-O 3.29Å; T324-D348 WeakPolarHBondContact CA-O 3.26Å; T324-D348 HydrophobicContact CG2-CB 4.02Å; T324-D348 VanDerWaalsContact CG2-OD2 3.32Å; T324-D348 WeakPolarHBondContact CG2-OD2 3.41Å; L325-D348 PolarHBondContact N-O 3.44Å; D348-S350 WeakPolarHBondContact OD1-CB 3.14Å; D348-S350 PolarHBondContact OD1-N 2.91Å; D348-S350 VanDerWaalsContact OD1-N 3.17Å; D348-S350 PolarHBondContact OD1-OG 3.12Å; D348-S370 WeakPolarHBondContact OD1-CB 3.43Å; D348-S370 PolarHBondContact OD1-OG 3.05Å
349	L	96.6	Very high	94.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.244	C	C	.	.			trans	-118.2	35.4	176.1	-61.2	177.4	0	0	0	110.5	F311 L325 I333 L347 N352 S370 F371 N374	F311-L349 HydrophobicContact CE2-CD1 4.18Å; F311-L349 HydrophobicContact CE2-CD2 4.24Å; L325-L349 HydrophobicContact CB-CD2 3.58Å; L325-L349 HydrophobicContact CD1-CD2 3.78Å; L325-L349 HydrophobicContact CG-CD2 3.77Å; I333-L349 HydrophobicContact CD1-CD1 3.7Å; I333-L349 HydrophobicContact CG1-CD1 4.05Å; L347-L349 HydrophobicContact CD1-CD1 3.82Å; L347-L349 HydrophobicContact CD1-CD2 4.31Å; L347-L349 HydrophobicContact CD1-CG 3.81Å; L347-L349 HydrophobicContact CD2-CD1 4.35Å; L347-L349 HydrophobicContact CG-CD1 4.19Å; L347-L349 HydrophobicContact CG-CG 4.21Å; L349-N352 PolarHBondContact O-ND2 2.99Å; L349-S370 CarbonylContact C-O 3.23Å; L349-S370 PolarHBondContact N-O 2.81Å; L349-F371 HydrophobicContact CB-CD1 3.89Å; L349-F371 HydrophobicContact CB-CE1 3.8Å; L349-F371 HydrophobicContact CD1-CE1 3.79Å; L349-F371 HydrophobicContact CG-CE1 4.25Å; L349-N374 PolarHBondContact O-ND2 3.23Å
350	S	96.9	Very high	94.7	Very high	8 Å²	8	44.3 Å²	44.3	6%	0.056	21%	0.211	C	C	.	.			trans	-67.1	157.4	175.7	58.2	0	0	0	0	113.9	S326 G327 D348 N352 Q372	S326-S350 VanDerWaalsContact CA-O 3.23Å; S326-S350 WeakPolarHBondContact CA-O 3.28Å; S326-S350 PolarHBondContact OG-O 3.03Å; S326-S350 VanDerWaalsContact OG-O 3.12Å; S326-S350 PolarHBondContact OG-OG 3.44Å; G327-S350 PolarHBondContact N-O 3.04Å; D348-S350 WeakPolarHBondContact OD1-CB 3.14Å; D348-S350 PolarHBondContact OD1-N 2.91Å; D348-S350 VanDerWaalsContact OD1-N 3.17Å; D348-S350 PolarHBondContact OD1-OG 3.12Å; S350-N352 PolarHBondContact O-N 3.35Å; S350-N352 PolarHBondContact O-ND2 3.39Å; S350-Q372 CarbonylContact C-O 3.58Å; S350-Q372 WeakPolarHBondContact CA-O 3.42Å; S350-Q372 VanDerWaalsContact CB-O 3.31Å; S350-Q372 WeakPolarHBondContact CB-O 3.45Å
351	Y	96.2	Very high	94.8	Very high	107 Å²	107	45.9 Å²	45.9	42%	0.42	22%	0.216	S	C	.	.	S	Bend	trans	54.4	52.5	177.2	-64.2	-97.1	0	0	0	112.8	G327 T328 Q372 H373	G327-Y351 CarbonylContact C-O 3.55Å; G327-Y351 WeakPolarHBondContact CA-O 3.33Å; G327-Y351 PolarHBondContact N-O 3.08Å; G327-Y351 VanDerWaalsContact N-O 3.07Å; T328-Y351 PolarHBondContact N-O 2.72Å; Y351-Q372 HydrophobicContact CE2-CG 4.28Å; Y351-Q372 PolarHBondContact N-O 3.36Å; Y351-Q372 PolarHBondContact OH-NE2 3.01Å; Y351-H373 VanDerWaalsContact CA-O 3.29Å; Y351-H373 WeakPolarHBondContact CA-O 3.3Å; Y351-H373 HydrophobicContact CD1-CB 4.15Å; Y351-H373 AromaticContact CD1-CD2 3.42Å; Y351-H373 VanDerWaalsContact CD1-CD2 3.42Å; Y351-H373 WeakPolarHBondContact CD1-CD2 3.31Å; Y351-H373 HydrophobicContact CE1-CB 4.24Å; Y351-H373 AromaticContact CE1-CD2 3.78Å; Y351-H373 HydrophobicContact CG-CB 4.3Å; Y351-H373 PolarHBondContact N-O 3.21Å
352	N	96.5	Very high	94.5	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.043	24%	0.236	C	C	.	.	S	Bend	trans	-131.5	-173.4	177.6	-65.3	-52.9	0	0	0	110.6	L325 T328 L349 S350 V354 H373 N374	L325-N352 PolarHBondContact O-ND2 3.46Å; T328-N352 WeakPolarHBondContact CA-OD1 3.37Å; T328-N352 WeakPolarHBondContact CB-OD1 3.14Å; T328-N352 PolarHBondContact N-OD1 3.04Å; T328-N352 PolarHBondContact OG1-OD1 3.3Å; L349-N352 PolarHBondContact O-ND2 2.99Å; S350-N352 PolarHBondContact O-N 3.35Å; S350-N352 PolarHBondContact O-ND2 3.39Å; N352-V354 HydrophobicContact CB-CG2 4.25Å; N352-H373 PolarHBondContact N-O 3.47Å; N352-N374 WeakPolarHBondContact CA-OD1 3.4Å; N352-N374 VanDerWaalsContact CB-OD1 3.28Å; N352-N374 WeakPolarHBondContact CB-OD1 3.48Å; N352-N374 PolarHBondContact O-OD1 3.33Å
353	E	95.9	Very high	94.6	Very high	78 Å²	78	42 Å²	42	36%	0.364	21%	0.211	S	C	.	.			trans	-106	23.7	-177.5	-64.2	-174	-153.9	0	0	112.9	K329 I330	K329-E353 HydrophobicContact CB-CG 4.47Å; K329-E353 WeakPolarHBondContact CD-OE1 3.36Å; K329-E353 WeakPolarHBondContact CG-OE1 3.39Å; I330-E353 CarbonylContact O-C 3.13Å; I330-E353 WeakPolarHBondContact O-CA 3.44Å; I330-E353 PolarHBondContact O-N 3.34Å
354	V	96.1	Very high	94.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.			trans	-67.9	131.6	-172.7	-178.2	0	0	0	0	111.5	I330 I333 N352 Q356 L357 N374 H375 I376	I330-V354 HydrophobicContact CG2-CG2 4.3Å; I330-V354 WeakPolarHBondContact O-CG2 3.43Å; I330-V354 PolarHBondContact O-N 3.15Å; I333-V354 HydrophobicContact CD1-CG1 4.08Å; I333-V354 HydrophobicContact CG1-CG1 4.28Å; I333-V354 HydrophobicContact CG1-CG2 4.4Å; N352-V354 HydrophobicContact CB-CG2 4.25Å; V354-Q356 WeakPolarHBondContact CG1-O 3.47Å; V354-L357 HydrophobicContact CG1-CD2 4.16Å; V354-N374 HydrophobicContact CB-CB 4.34Å; V354-N374 VanDerWaalsContact CB-OD1 3.26Å; V354-N374 WeakPolarHBondContact CB-OD1 3.41Å; V354-N374 WeakPolarHBondContact CG2-OD1 3.36Å; V354-N374 PolarHBondContact N-OD1 2.71Å; V354-H375 CarbonylContact O-C 3.09Å; V354-H375 WeakPolarHBondContact O-CA 3.43Å; V354-H375 PolarHBondContact O-N 3.05Å; V354-I376 HydrophobicContact CG1-CG1 4.47Å; V354-I376 PolarHBondContact O-N 3.42Å
355	K	93.4	Very high	94.4	Very high	118 Å²	118	47.8 Å²	47.8	51%	0.513	24%	0.242	S	C	.	.			trans	-111.1	-28.4	-175.3	-67.7	167.3	-170.1	170.2	0	114.8	H375	K355-H375 HydrophobicContact CG-CB 3.99Å
356	Q	92.6	Very high	94.4	Very high	149 Å²	149	44.8 Å²	44.8	70%	0.696	23%	0.227	S	C	*	.			trans	-139.9	145.6	-177.9	-70.5	179.5	-25.9	0	0	108.6	V354	V354-Q356 WeakPolarHBondContact CG1-O 3.47Å
357	L	95.3	Very high	94.3	Very high	22 Å²	22	45.2 Å²	45.2	12%	0.115	23%	0.227	C	C	.	.			trans	-106.4	137.4	177.1	-63.5	-179.8	0	0	0	109.7	I333 V354 F360 F371 I376 I379 T383 F384 L395	I333-L357 HydrophobicContact CD1-CD2 3.83Å; V354-L357 HydrophobicContact CG1-CD2 4.16Å; L357-F360 HydrophobicContact CB-CE2 4.15Å; L357-F360 HydrophobicContact CD1-CE2 4.4Å; L357-F360 HydrophobicContact CD2-CE2 4.4Å; L357-F360 HydrophobicContact CD2-CZ 4.34Å; L357-F371 HydrophobicContact CD1-CD2 4.11Å; L357-F371 HydrophobicContact CD1-CE2 4.01Å; L357-F371 HydrophobicContact CD2-CD1 4Å; L357-F371 HydrophobicContact CD2-CD2 4.16Å; L357-F371 HydrophobicContact CD2-CE1 3.7Å; L357-F371 HydrophobicContact CD2-CE2 3.86Å; L357-F371 HydrophobicContact CD2-CG 4.25Å; L357-F371 HydrophobicContact CD2-CZ 3.65Å; L357-I376 HydrophobicContact CD1-CD1 4.08Å; L357-I376 HydrophobicContact CD2-CD1 3.85Å; L357-I376 HydrophobicContact CD2-CG1 4.46Å; L357-I376 HydrophobicContact CG-CD1 4.01Å; L357-I376 HydrophobicContact CG-CG1 4.45Å; L357-I376 HydrophobicContact CG-CG2 4.41Å; L357-I379 HydrophobicContact CD1-CD1 3.84Å; L357-T383 HydrophobicContact CB-CG2 3.64Å; L357-T383 HydrophobicContact CD1-CG2 3.8Å; L357-T383 HydrophobicContact CG-CG2 4.39Å; L357-F384 HydrophobicContact CD1-CE1 4.44Å; L357-F384 HydrophobicContact CD1-CZ 3.82Å; L357-L395 HydrophobicContact CD1-CD2 4.41Å
358	P	94.9	Very high	94.3	Very high	22 Å²	22	49.6 Å²	49.6	14%	0.143	25%	0.247	C	C	.	.			trans	-71	177	168	32.7	-35.7	0	0	0	110.8	I333 A335 F360	I333-P358 HydrophobicContact CB-CG 4.08Å; I333-P358 HydrophobicContact CG2-CG 4.03Å; A335-P358 HydrophobicContact CB-CB 4.33Å; P358-F360 HydrophobicContact CG-CE1 3.96Å; P358-F360 HydrophobicContact CG-CZ 3.95Å
359	S	93.6	Very high	94.3	Very high	34 Å²	34	48.7 Å²	48.7	24%	0.238	24%	0.243	C	C	.	.			trans	-71.8	131.8	162.1	-175.8	0	0	0	0	110	Q361 D382	S359-Q361 VanDerWaalsContact C-N 3.28Å; S359-Q361 WeakPolarHBondContact OG-CB 3.34Å; S359-Q361 PolarHBondContact OG-N 3.48Å; S359-D382 WeakPolarHBondContact CB-O 3.27Å; S359-D382 PolarHBondContact OG-O 2.96Å
360	F	94.1	Very high	94.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	S	.	.			trans	-92.3	16.6	172	-61.9	-70.4	0	0	0	112.7	I333 L337 C338 L347 L357 P358 G362 C363 F371 T383 F384 L387	I333-F360 HydrophobicContact CD1-CZ 4.24Å; L337-F360 HydrophobicContact CD2-CE1 4.47Å; C338-F360 PolarHBondContact SG-O 3.15Å; L347-F360 HydrophobicContact CD2-CD1 4.42Å; L347-F360 HydrophobicContact CD2-CE1 3.98Å; L357-F360 HydrophobicContact CB-CE2 4.15Å; L357-F360 HydrophobicContact CD1-CE2 4.4Å; L357-F360 HydrophobicContact CD2-CE2 4.4Å; L357-F360 HydrophobicContact CD2-CZ 4.34Å; P358-F360 HydrophobicContact CG-CE1 3.96Å; P358-F360 HydrophobicContact CG-CZ 3.95Å; F360-G362 PolarHBondContact O-N 2.81Å; F360-C363 WeakPolarHBondContact O-CB 3.5Å; F360-C363 PolarHBondContact O-N 2.81Å; F360-C363 VanDerWaalsContact O-N 3.16Å; F360-F371 HydrophobicContact CE1-CZ 4.41Å; F360-F371 AromaticContact CE2-CE2 3.99Å; F360-F371 HydrophobicContact CE2-CE2 3.99Å; F360-F371 AromaticContact CE2-CZ 3.91Å; F360-F371 HydrophobicContact CE2-CZ 3.91Å; F360-F371 HydrophobicContact CZ-CE2 4.1Å; F360-F371 AromaticContact CZ-CZ 3.54Å; F360-F371 HydrophobicContact CZ-CZ 3.54Å; F360-T383 HydrophobicContact CD2-CG2 4.29Å; F360-T383 WeakPolarHBondContact CD2-O 3.41Å; F360-T383 HydrophobicContact CE2-CG2 4.24Å; F360-T383 PolarHBondContact N-O 3.49Å; F360-F384 HydrophobicContact CD2-CD1 4.13Å; F360-F384 HydrophobicContact CD2-CE1 4.05Å; F360-F384 HydrophobicContact CE2-CE1 4.21Å; F360-L387 HydrophobicContact CB-CD1 4.13Å; F360-L387 HydrophobicContact CB-CD2 4.43Å
361	Q	88.9	Confident	94.4	Very high	104 Å²	104	49.4 Å²	49.4	49%	0.486	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	135	174.9	-166.4	178.7	36.8	0	0	110.3	C338 S359 D386	C338-Q361 VanDerWaalsContact CB-O 3.28Å; C338-Q361 WeakPolarHBondContact CB-O 3.37Å; S359-Q361 VanDerWaalsContact C-N 3.28Å; S359-Q361 WeakPolarHBondContact OG-CB 3.34Å; S359-Q361 PolarHBondContact OG-N 3.48Å; Q361-D386 PolarHBondContact NE2-OD2 2.84Å
362	G	86	Confident	94.4	Very high	40 Å²	40	46.5 Å²	46.5	41%	0.412	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	-31.4	-173	0	0	0	0	0	113.9	F360 S364	F360-G362 PolarHBondContact O-N 2.81Å; G362-S364 PolarHBondContact O-N 3.14Å
363	C	92.4	Very high	94.4	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.007	26%	0.256	C	S	.	.			trans	-74.8	48.6	173.6	-73.4	0	0	0	0	113	C338 F360 R365 L366 L387	C338-C363 WeakPolarHBondContact CA-SG 3.16Å; C338-C363 HydrophobicContact CB-CB 4.02Å; C338-C363 WeakPolarHBondContact CB-SG 3.39Å; C338-C363 WeakPolarHBondContact SG-CB 3.43Å; C338-C363 CovalentContact SG-SG 2.04Å; C338-C363 PolarHBondContact SG-SG 2.96Å; F360-C363 WeakPolarHBondContact O-CB 3.5Å; F360-C363 PolarHBondContact O-N 2.81Å; F360-C363 VanDerWaalsContact O-N 3.16Å; C363-R365 PolarHBondContact O-N 3.2Å; C363-L366 HydrophobicContact CB-CD1 3.44Å; C363-L366 VanDerWaalsContact CB-CD1 3.44Å; C363-L366 HydrophobicContact CB-CG 3.87Å; C363-L366 PolarHBondContact O-N 3.37Å; C363-L387 HydrophobicContact CB-CD2 4.42Å; C363-L387 WeakPolarHBondContact O-CD2 3.46Å
364	S	89.8	Confident	94.5	Very high	72 Å²	72	47.1 Å²	47.1	50%	0.503	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-10.3	-172	59.3	0	0	0	0	116.4	G362	G362-S364 PolarHBondContact O-N 3.14Å
365	R	94.2	Very high	94.5	Very high	124 Å²	124	50.9 Å²	50.9	47%	0.468	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-4.6	178.1	-66.2	-167.1	178.9	-165.8	-1.5	114.7	L344 Q345 C363 Q367	L344-R365 CarbonylContact O-C 3.55Å; L344-R365 WeakPolarHBondContact O-CB 3.15Å; Q345-R365 HydrophobicContact CG-CB 4.49Å; C363-R365 PolarHBondContact O-N 3.2Å; R365-Q367 PolarHBondContact O-N 3.38Å
366	L	95.8	Very high	94.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.			trans	-59.5	120.8	179.2	-79	172.5	0	0	0	110.7	L344 L347 C363 I369 L387 A389 L390	L344-L366 HydrophobicContact CB-CD2 4.28Å; L344-L366 HydrophobicContact CD2-CD2 4.05Å; L344-L366 HydrophobicContact CG-CD2 3.89Å; L344-L366 PolarHBondContact O-N 3.09Å; L344-L366 VanDerWaalsContact O-N 3.14Å; L347-L366 HydrophobicContact CB-CD2 3.95Å; C363-L366 HydrophobicContact CB-CD1 3.44Å; C363-L366 VanDerWaalsContact CB-CD1 3.44Å; C363-L366 HydrophobicContact CB-CG 3.87Å; C363-L366 PolarHBondContact O-N 3.37Å; L366-I369 HydrophobicContact CD1-CD1 3.96Å; L366-I369 HydrophobicContact CD1-CG1 4.22Å; L366-I369 HydrophobicContact CD2-CG1 4.5Å; L366-L387 HydrophobicContact CD1-CD2 4.42Å; L366-A389 CarbonylContact O-C 3.46Å; L366-A389 VanDerWaalsContact O-C 3.23Å; L366-L390 HydrophobicContact CB-CD1 4.45Å; L366-L390 VanDerWaalsContact O-CA 3.23Å; L366-L390 WeakPolarHBondContact O-CA 3.04Å; L366-L390 PolarHBondContact O-N 3.06Å; L366-L390 VanDerWaalsContact O-N 3.1Å
367	Q	96.3	Very high	94.8	Very high	44 Å²	44	42.6 Å²	42.6	21%	0.206	22%	0.221	C	C	.	.			trans	-105.6	-29.6	174.7	-75.3	169.2	89.6	0	0	111.2	Q345 R365 R391 L392	Q345-Q367 PolarHBondContact O-N 3.12Å; R365-Q367 PolarHBondContact O-N 3.38Å; Q367-R391 PolarHBondContact O-N 2.92Å; Q367-L392 PolarHBondContact O-N 3.18Å
368	E	97.8	Very high	94.8	Very high	92 Å²	92	46 Å²	46	43%	0.43	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	126.6	-175.1	-58.4	-178.6	156.2	0	0	111	Q345 T346 L347 L392	Q345-E368 PolarHBondContact O-N 3.46Å; Q345-E368 VanDerWaalsContact O-N 3.1Å; T346-E368 WeakPolarHBondContact CA-O 3.23Å; T346-E368 HydrophobicContact CG2-CB 4.08Å; T346-E368 PolarHBondContact OG1-OE2 2.94Å; T346-E368 VanDerWaalsContact OG1-OE2 3.04Å; L347-E368 PolarHBondContact N-O 3.43Å; E368-L392 WeakPolarHBondContact CA-O 3.4Å; E368-L392 HydrophobicContact CG-CB 4.25Å
369	I	97.4	Very high	94.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	128.4	175.2	-68.7	174.3	0	0	0	108.9	L347 L366 F371 F384 L387 L390 L392 L393 D394	L347-I369 CarbonylContact O-C 3.54Å; L347-I369 WeakPolarHBondContact O-CA 3.28Å; L366-I369 HydrophobicContact CD1-CD1 3.96Å; L366-I369 HydrophobicContact CD1-CG1 4.22Å; L366-I369 HydrophobicContact CD2-CG1 4.5Å; I369-F371 HydrophobicContact CG2-CD2 3.49Å; I369-F371 VanDerWaalsContact CG2-CD2 3.49Å; I369-F371 HydrophobicContact CG2-CE2 3.24Å; I369-F371 HydrophobicContact CG2-CZ 4.13Å; I369-F384 HydrophobicContact CD1-CD1 4.35Å; I369-F384 HydrophobicContact CD1-CE1 4.29Å; I369-L387 HydrophobicContact CD1-CD1 3.83Å; I369-L390 HydrophobicContact CB-CD1 4.13Å; I369-L390 HydrophobicContact CD1-CD1 3.63Å; I369-L390 HydrophobicContact CD1-CD2 4.06Å; I369-L390 HydrophobicContact CG1-CD1 3.61Å; I369-L392 PolarHBondContact N-O 3.48Å; I369-L393 HydrophobicContact CB-CD1 3.87Å; I369-L393 HydrophobicContact CG2-CD1 3.61Å; I369-L393 WeakPolarHBondContact O-CA 3.28Å; I369-D394 PolarHBondContact O-N 3.31Å
370	S	97.9	Very high	94.9	Very high	22 Å²	22	46.7 Å²	46.7	15%	0.154	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	118.6	176	161.4	0	0	0	0	110.6	L347 D348 L349	L347-S370 PolarHBondContact O-N 3.04Å; D348-S370 WeakPolarHBondContact OD1-CB 3.43Å; D348-S370 PolarHBondContact OD1-OG 3.05Å; L349-S370 CarbonylContact C-O 3.23Å; L349-S370 PolarHBondContact N-O 2.81Å
371	F	97.2	Very high	94.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.			trans	-123.1	20.2	170.7	-68.3	-64.7	0	0	0	111.5	I333 L347 L349 L357 F360 I369 H373 N374 I376 F384 D394 L395 N398	I333-F371 HydrophobicContact CD1-CE1 3.58Å; I333-F371 HydrophobicContact CD1-CZ 4.05Å; L347-F371 HydrophobicContact CD2-CZ 4.26Å; L349-F371 HydrophobicContact CB-CD1 3.89Å; L349-F371 HydrophobicContact CB-CE1 3.8Å; L349-F371 HydrophobicContact CD1-CE1 3.79Å; L349-F371 HydrophobicContact CG-CE1 4.25Å; L357-F371 HydrophobicContact CD1-CD2 4.11Å; L357-F371 HydrophobicContact CD1-CE2 4.01Å; L357-F371 HydrophobicContact CD2-CD1 4Å; L357-F371 HydrophobicContact CD2-CD2 4.16Å; L357-F371 HydrophobicContact CD2-CE1 3.7Å; L357-F371 HydrophobicContact CD2-CE2 3.86Å; L357-F371 HydrophobicContact CD2-CG 4.25Å; L357-F371 HydrophobicContact CD2-CZ 3.65Å; F360-F371 HydrophobicContact CE1-CZ 4.41Å; F360-F371 AromaticContact CE2-CE2 3.99Å; F360-F371 HydrophobicContact CE2-CE2 3.99Å; F360-F371 AromaticContact CE2-CZ 3.91Å; F360-F371 HydrophobicContact CE2-CZ 3.91Å; F360-F371 HydrophobicContact CZ-CE2 4.1Å; F360-F371 AromaticContact CZ-CZ 3.54Å; F360-F371 HydrophobicContact CZ-CZ 3.54Å; I369-F371 HydrophobicContact CG2-CD2 3.49Å; I369-F371 VanDerWaalsContact CG2-CD2 3.49Å; I369-F371 HydrophobicContact CG2-CE2 3.24Å; I369-F371 HydrophobicContact CG2-CZ 4.13Å; F371-H373 PolarHBondContact O-N 2.83Å; F371-N374 PolarHBondContact O-ND2 3.19Å; F371-I376 HydrophobicContact CB-CD1 3.77Å; F371-I376 HydrophobicContact CD1-CD1 4.47Å; F371-I376 HydrophobicContact CG-CD1 4.08Å; F371-F384 HydrophobicContact CE2-CE1 4.45Å; F371-D394 PolarHBondContact N-O 3.06Å; F371-L395 HydrophobicContact CB-CD2 4.07Å; F371-L395 HydrophobicContact CD2-CD2 4.05Å; F371-L395 HydrophobicContact CG-CD2 4.49Å; F371-N398 PolarHBondContact O-ND2 3.02Å
372	Q	96.6	Very high	95	Very high	47 Å²	47	52.6 Å²	52.6	22%	0.22	26%	0.26	C	S	.	.			trans	-47.2	132.2	178.4	168.7	174.6	-22.7	0	0	111.3	S350 Y351 S396	S350-Q372 CarbonylContact C-O 3.58Å; S350-Q372 WeakPolarHBondContact CA-O 3.42Å; S350-Q372 VanDerWaalsContact CB-O 3.31Å; S350-Q372 WeakPolarHBondContact CB-O 3.45Å; Y351-Q372 HydrophobicContact CE2-CG 4.28Å; Y351-Q372 PolarHBondContact N-O 3.36Å; Y351-Q372 PolarHBondContact OH-NE2 3.01Å; Q372-S396 WeakPolarHBondContact CA-O 3.38Å; Q372-S396 WeakPolarHBondContact CG-OG 3.48Å
373	H	97	Very high	95.4	Very high	93 Å²	93	50.9 Å²	50.9	43%	0.431	24%	0.242	S	C	.	.	S	Bend	trans	59.2	68.9	176	-159.3	54.3	0	0	0	113.3	Y351 N352 F371 S396 R397	Y351-H373 VanDerWaalsContact CA-O 3.29Å; Y351-H373 WeakPolarHBondContact CA-O 3.3Å; Y351-H373 HydrophobicContact CD1-CB 4.15Å; Y351-H373 AromaticContact CD1-CD2 3.42Å; Y351-H373 VanDerWaalsContact CD1-CD2 3.42Å; Y351-H373 WeakPolarHBondContact CD1-CD2 3.31Å; Y351-H373 HydrophobicContact CE1-CB 4.24Å; Y351-H373 AromaticContact CE1-CD2 3.78Å; Y351-H373 HydrophobicContact CG-CB 4.3Å; Y351-H373 PolarHBondContact N-O 3.21Å; N352-H373 PolarHBondContact N-O 3.47Å; F371-H373 PolarHBondContact O-N 2.83Å; H373-S396 PolarHBondContact N-O 3.15Å; H373-R397 WeakPolarHBondContact CA-O 3.42Å; H373-R397 HydrophobicContact CB-CB 4.15Å
374	N	97.4	Very high	95.4	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.027	24%	0.241	C	C	.	.	S	Bend	trans	-133.2	-173.9	171.2	-83.6	-84.5	0	0	0	109.2	L349 N352 V354 F371 I376 N398	L349-N374 PolarHBondContact O-ND2 3.23Å; N352-N374 WeakPolarHBondContact CA-OD1 3.4Å; N352-N374 VanDerWaalsContact CB-OD1 3.28Å; N352-N374 WeakPolarHBondContact CB-OD1 3.48Å; N352-N374 PolarHBondContact O-OD1 3.33Å; V354-N374 HydrophobicContact CB-CB 4.34Å; V354-N374 VanDerWaalsContact CB-OD1 3.26Å; V354-N374 WeakPolarHBondContact CB-OD1 3.41Å; V354-N374 WeakPolarHBondContact CG2-OD1 3.36Å; V354-N374 PolarHBondContact N-OD1 2.71Å; F371-N374 PolarHBondContact O-ND2 3.19Å; N374-I376 HydrophobicContact CB-CD1 4.23Å; N374-I376 HydrophobicContact CB-CG1 4.15Å; N374-N398 WeakPolarHBondContact CA-OD1 3.49Å; N374-N398 WeakPolarHBondContact CB-OD1 3.4Å; N374-N398 WeakPolarHBondContact O-CA 2.77Å; N374-N398 PolarHBondContact O-OD1 3.16Å; N374-N398 VanDerWaalsContact O-OD1 3.1Å
375	H	96.6	Very high	95.4	Very high	80 Å²	80	50.7 Å²	50.7	37%	0.37	23%	0.232	S	C	.	.			trans	-109.2	33	179.4	-68.6	-75.5	0	0	0	112.7	V354 K355 Q377 E399	V354-H375 CarbonylContact O-C 3.09Å; V354-H375 WeakPolarHBondContact O-CA 3.43Å; V354-H375 PolarHBondContact O-N 3.05Å; K355-H375 HydrophobicContact CG-CB 3.99Å; H375-Q377 WeakPolarHBondContact O-CG 3.4Å; H375-Q377 PolarHBondContact O-N 3.05Å; H375-E399 IonicContact CE1-OE1 3.46Å; H375-E399 IonicContact CG-OE1 3.66Å; H375-E399 IonicContact ND1-OE1 2.65Å; H375-E399 PolarHBondContact ND1-OE1 3.43Å
376	I	96.8	Very high	95.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.231	C	C	.	.			trans	-70.4	126.5	-177.7	-56.7	163.6	0	0	0	109.5	V354 L357 F371 N374 Q378 I379 L395 N398 E399 I400	V354-I376 HydrophobicContact CG1-CG1 4.47Å; V354-I376 PolarHBondContact O-N 3.42Å; L357-I376 HydrophobicContact CD1-CD1 4.08Å; L357-I376 HydrophobicContact CD2-CD1 3.85Å; L357-I376 HydrophobicContact CD2-CG1 4.46Å; L357-I376 HydrophobicContact CG-CD1 4.01Å; L357-I376 HydrophobicContact CG-CG1 4.45Å; L357-I376 HydrophobicContact CG-CG2 4.41Å; F371-I376 HydrophobicContact CB-CD1 3.77Å; F371-I376 HydrophobicContact CD1-CD1 4.47Å; F371-I376 HydrophobicContact CG-CD1 4.08Å; N374-I376 HydrophobicContact CB-CD1 4.23Å; N374-I376 HydrophobicContact CB-CG1 4.15Å; I376-Q378 WeakPolarHBondContact CG2-O 3.26Å; I376-I379 HydrophobicContact CG2-CD1 3.95Å; I376-L395 HydrophobicContact CD1-CD2 4.27Å; I376-N398 HydrophobicContact CB-CB 4.45Å; I376-N398 VanDerWaalsContact CB-OD1 3.27Å; I376-N398 WeakPolarHBondContact CB-OD1 3.45Å; I376-N398 WeakPolarHBondContact CD1-OD1 3.43Å; I376-N398 VanDerWaalsContact CG1-OD1 3.29Å; I376-N398 WeakPolarHBondContact CG1-OD1 3.49Å; I376-N398 PolarHBondContact N-OD1 3.42Å; I376-E399 CarbonylContact O-C 3.53Å; I376-E399 WeakPolarHBondContact O-CA 3.41Å; I376-E399 PolarHBondContact O-N 3.26Å; I376-I400 HydrophobicContact CB-CG1 4.3Å; I376-I400 HydrophobicContact CG2-CD1 4.48Å; I376-I400 HydrophobicContact CG2-CG1 4.15Å; I376-I400 VanDerWaalsContact O-CG1 3.28Å; I376-I400 WeakPolarHBondContact O-CG1 3.27Å; I376-I400 PolarHBondContact O-N 3.32Å
377	Q	94.3	Very high	95	Very high	92 Å²	92	48.7 Å²	48.7	43%	0.43	23%	0.231	S	C	.	.			trans	-104.9	-24.6	-172.6	-63.3	-171.6	-18.6	0	0	114.8	H375 E399 I400 R401	H375-Q377 WeakPolarHBondContact O-CG 3.4Å; H375-Q377 PolarHBondContact O-N 3.05Å; Q377-E399 HydrophobicContact CG-CB 4Å; Q377-E399 PolarHBondContact NE2-OE2 2.96Å; Q377-I400 WeakPolarHBondContact O-CA 3.48Å; Q377-R401 PolarHBondContact O-N 3.22Å
378	Q	94.9	Very high	94.7	Very high	93 Å²	93	49.9 Å²	49.9	44%	0.435	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	158.9	177.8	69.2	-177.8	39.4	0	0	110.9	I376 D380 V402	I376-Q378 WeakPolarHBondContact CG2-O 3.26Å; Q378-D380 VanDerWaalsContact NE2-CG 3.33Å; Q378-D380 PolarHBondContact NE2-OD1 2.93Å; Q378-D380 VanDerWaalsContact NE2-OD1 3.11Å; Q378-D380 PolarHBondContact NE2-OD2 2.8Å; Q378-V402 WeakPolarHBondContact CA-O 3.4Å
379	I	96.1	Very high	94.5	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.3	169.2	-57	-63.4	0	0	0	108	L357 I376 F384 L395 I400 V402 I403 H404 A407	L357-I379 HydrophobicContact CD1-CD1 3.84Å; I376-I379 HydrophobicContact CG2-CD1 3.95Å; I379-F384 HydrophobicContact CD1-CE2 4.09Å; I379-F384 HydrophobicContact CD1-CZ 4.49Å; I379-F384 HydrophobicContact CG2-CD2 3.87Å; I379-F384 HydrophobicContact CG2-CE2 3.66Å; I379-L395 HydrophobicContact CD1-CD1 4.31Å; I379-L395 HydrophobicContact CD1-CD2 4.16Å; I379-I400 HydrophobicContact CD1-CD1 4.19Å; I379-I400 HydrophobicContact CG1-CD1 4.16Å; I379-I400 HydrophobicContact CG1-CG2 4.22Å; I379-V402 PolarHBondContact N-O 3.11Å; I379-V402 VanDerWaalsContact N-O 3.09Å; I379-I403 HydrophobicContact CB-CB 4.4Å; I379-I403 HydrophobicContact CB-CG1 4.18Å; I379-I403 HydrophobicContact CB-CG2 4.11Å; I379-I403 HydrophobicContact CG1-CG1 4.13Å; I379-I403 HydrophobicContact CG2-CG2 4.29Å; I379-H404 PolarHBondContact O-N 2.85Å; I379-A407 HydrophobicContact CG2-CB 4.05Å
380	D	94.6	Very high	94.4	Very high	69 Å²	69	47.1 Å²	47.1	37%	0.369	24%	0.237	S	C	.	.			trans	-85.8	178.2	-176.2	-72.9	-68.1	0	0	0	112.2	Q378 D382 T383 A407	Q378-D380 VanDerWaalsContact NE2-CG 3.33Å; Q378-D380 PolarHBondContact NE2-OD1 2.93Å; Q378-D380 VanDerWaalsContact NE2-OD1 3.11Å; Q378-D380 PolarHBondContact NE2-OD2 2.8Å; D380-D382 PolarHBondContact O-N 3.03Å; D380-T383 PolarHBondContact N-OG1 2.86Å; D380-A407 VanDerWaalsContact O-CB 3.27Å; D380-A407 WeakPolarHBondContact O-CB 3.38Å
381	R	93.6	Very high	94.3	Very high	149 Å²	149	52.6 Å²	52.6	56%	0.562	26%	0.255	S	S	*	.	S	Bend	trans	-67.5	-37.8	-171	179.7	176.3	175.2	-159	-5.8	112.9	H404 D406	R381-H404 WeakPolarHBondContact CB-ND1 3.5Å; R381-D406 HydrophobicContact CG-CB 4.4Å
382	D	91.8	Very high	94.3	Very high	79 Å²	79	55.6 Å²	55.6	42%	0.422	27%	0.27	S	S	.	.	S	Bend	trans	-102	-8.3	-166.4	52.5	-59.9	0	0	0	113.1	S359 D380 F384 Q385	S359-D382 WeakPolarHBondContact CB-O 3.27Å; S359-D382 PolarHBondContact OG-O 2.96Å; D380-D382 PolarHBondContact O-N 3.03Å; D382-F384 PolarHBondContact O-N 2.93Å; D382-Q385 PolarHBondContact O-N 3.28Å
383	T	94.1	Very high	94.3	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.025	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-50.9	179.2	-52.8	0	0	0	0	112.3	L357 F360 D380	L357-T383 HydrophobicContact CB-CG2 3.64Å; L357-T383 HydrophobicContact CD1-CG2 3.8Å; L357-T383 HydrophobicContact CG-CG2 4.39Å; F360-T383 HydrophobicContact CD2-CG2 4.29Å; F360-T383 WeakPolarHBondContact CD2-O 3.41Å; F360-T383 HydrophobicContact CE2-CG2 4.24Å; F360-T383 PolarHBondContact N-O 3.49Å; D380-T383 PolarHBondContact N-OG1 2.86Å
384	F	93.6	Very high	94.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	34.6	-176	-56.5	-60.6	0	0	0	112.8	L357 F360 I369 F371 I379 D382 L387 L393 L395 F408 S410 L411	L357-F384 HydrophobicContact CD1-CE1 4.44Å; L357-F384 HydrophobicContact CD1-CZ 3.82Å; F360-F384 HydrophobicContact CD2-CD1 4.13Å; F360-F384 HydrophobicContact CD2-CE1 4.05Å; F360-F384 HydrophobicContact CE2-CE1 4.21Å; I369-F384 HydrophobicContact CD1-CD1 4.35Å; I369-F384 HydrophobicContact CD1-CE1 4.29Å; F371-F384 HydrophobicContact CE2-CE1 4.45Å; I379-F384 HydrophobicContact CD1-CE2 4.09Å; I379-F384 HydrophobicContact CD1-CZ 4.49Å; I379-F384 HydrophobicContact CG2-CD2 3.87Å; I379-F384 HydrophobicContact CG2-CE2 3.66Å; D382-F384 PolarHBondContact O-N 2.93Å; F384-L387 HydrophobicContact CB-CD1 4.18Å; F384-L387 HydrophobicContact CD1-CD1 3.96Å; F384-L393 HydrophobicContact CD2-CD2 4.31Å; F384-L393 HydrophobicContact CE1-CD1 4.01Å; F384-L393 HydrophobicContact CE2-CD2 4.09Å; F384-L393 HydrophobicContact CZ-CD1 3.92Å; F384-L393 HydrophobicContact CZ-CD2 4.23Å; F384-L395 HydrophobicContact CE2-CD1 4.08Å; F384-L395 HydrophobicContact CZ-CD1 4.21Å; F384-L395 HydrophobicContact CZ-CD2 4.37Å; F384-F408 HydrophobicContact CD2-CD1 4.41Å; F384-F408 HydrophobicContact CD2-CE1 4.09Å; F384-F408 HydrophobicContact CE2-CE1 4.36Å; F384-S410 PolarHBondContact O-OG 3.01Å; F384-L411 HydrophobicContact CB-CD1 4.28Å; F384-L411 HydrophobicContact CB-CD2 4.23Å
385	Q	90.6	Very high	94.4	Very high	68 Å²	68	49.7 Å²	49.7	32%	0.318	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	142.9	179.9	-172.4	169	-33.9	0	0	112.2	D382 L387	D382-Q385 PolarHBondContact O-N 3.28Å; Q385-L387 PolarHBondContact O-N 3.34Å; Q385-L387 VanDerWaalsContact O-N 3.16Å
386	D	87.4	Confident	94.4	Very high	81 Å²	81	46 Å²	46	43%	0.433	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	10.3	179.5	-52.4	-30.2	0	0	0	116.6	Q361 S388 S410	Q361-D386 PolarHBondContact NE2-OD2 2.84Å; D386-S388 PolarHBondContact O-N 2.9Å; D386-S410 PolarHBondContact N-OG 2.88Å; D386-S410 VanDerWaalsContact N-OG 3.08Å
387	L	92.4	Very high	94.4	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.247	C	C	.	.			trans	-78.5	53.7	177.8	-59.6	-174.6	0	0	0	113	F360 C363 L366 I369 F384 Q385 A389 L390 S410 L411	F360-L387 HydrophobicContact CB-CD1 4.13Å; F360-L387 HydrophobicContact CB-CD2 4.43Å; C363-L387 HydrophobicContact CB-CD2 4.42Å; C363-L387 WeakPolarHBondContact O-CD2 3.46Å; L366-L387 HydrophobicContact CD1-CD2 4.42Å; I369-L387 HydrophobicContact CD1-CD1 3.83Å; F384-L387 HydrophobicContact CB-CD1 4.18Å; F384-L387 HydrophobicContact CD1-CD1 3.96Å; Q385-L387 PolarHBondContact O-N 3.34Å; Q385-L387 VanDerWaalsContact O-N 3.16Å; L387-A389 PolarHBondContact O-N 3.09Å; L387-L390 HydrophobicContact CB-CB 4.19Å; L387-L390 HydrophobicContact CD1-CD2 4.35Å; L387-L390 VanDerWaalsContact O-CB 3.28Å; L387-L390 WeakPolarHBondContact O-CB 3.44Å; L387-L390 PolarHBondContact O-N 3.18Å; L387-L390 VanDerWaalsContact O-N 3.1Å; L387-S410 PolarHBondContact N-OG 3.4Å; L387-L411 HydrophobicContact CB-CD2 3.77Å
388	S	90.4	Very high	94.6	Very high	69 Å²	69	47.5 Å²	47.5	48%	0.483	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.4	-176.4	59.4	0	0	0	0	114.8	D386	D386-S388 PolarHBondContact O-N 2.9Å
389	A	93.6	Very high	94.6	Very high	35 Å²	35	46 Å²	46	29%	0.289	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.5	177.2	0	0	0	0	0	114.3	L366 L387 R391	L366-A389 CarbonylContact O-C 3.46Å; L366-A389 VanDerWaalsContact O-C 3.23Å; L387-A389 PolarHBondContact O-N 3.09Å; A389-R391 PolarHBondContact O-N 3.14Å
390	L	95.6	Very high	94.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.			trans	-67.5	126.3	-171.9	-168.5	69.6	0	0	0	111.2	L366 I369 L387 L393 L411 G413 L414	L366-L390 HydrophobicContact CB-CD1 4.45Å; L366-L390 VanDerWaalsContact O-CA 3.23Å; L366-L390 WeakPolarHBondContact O-CA 3.04Å; L366-L390 PolarHBondContact O-N 3.06Å; L366-L390 VanDerWaalsContact O-N 3.1Å; I369-L390 HydrophobicContact CB-CD1 4.13Å; I369-L390 HydrophobicContact CD1-CD1 3.63Å; I369-L390 HydrophobicContact CD1-CD2 4.06Å; I369-L390 HydrophobicContact CG1-CD1 3.61Å; L387-L390 HydrophobicContact CB-CB 4.19Å; L387-L390 HydrophobicContact CD1-CD2 4.35Å; L387-L390 VanDerWaalsContact O-CB 3.28Å; L387-L390 WeakPolarHBondContact O-CB 3.44Å; L387-L390 PolarHBondContact O-N 3.18Å; L387-L390 VanDerWaalsContact O-N 3.1Å; L390-L393 HydrophobicContact CD2-CB 4.21Å; L390-L393 HydrophobicContact CD2-CD2 4.42Å; L390-L411 HydrophobicContact CB-CD2 4.29Å; L390-L411 HydrophobicContact CD2-CD1 4.27Å; L390-L411 HydrophobicContact CD2-CD2 3.85Å; L390-G413 CarbonylContact O-C 2.98Å; L390-L414 HydrophobicContact CD2-CD1 4.08Å; L390-L414 HydrophobicContact CG-CD1 3.98Å; L390-L414 WeakPolarHBondContact O-CA 3.44Å; L390-L414 PolarHBondContact O-N 2.79Å
391	R	95.8	Very high	94.6	Very high	136 Å²	136	49.4 Å²	49.4	51%	0.513	23%	0.23	S	C	.	.			trans	-110.2	-41.8	179.8	-62.6	-179.6	-175.5	149.3	7.9	112.2	Q367 A389 L414 T415 N416	Q367-R391 PolarHBondContact O-N 2.92Å; A389-R391 PolarHBondContact O-N 3.14Å; R391-L414 WeakPolarHBondContact O-CD1 3.33Å; R391-T415 PolarHBondContact O-N 2.67Å; R391-T415 PolarHBondContact O-OG1 3Å; R391-N416 PolarHBondContact O-N 3.38Å
392	L	97.4	Very high	94.6	Very high	63 Å²	63	46.9 Å²	46.9	33%	0.33	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.6	-178.7	-172.5	152.8	0	0	0	110.4	Q367 E368 I369 D394 N416	Q367-L392 PolarHBondContact O-N 3.18Å; E368-L392 WeakPolarHBondContact CA-O 3.4Å; E368-L392 HydrophobicContact CG-CB 4.25Å; I369-L392 PolarHBondContact N-O 3.48Å; L392-D394 HydrophobicContact CD2-CB 4.31Å; L392-N416 WeakPolarHBondContact CA-O 3.47Å; L392-N416 HydrophobicContact CB-CB 4.43Å; L392-N416 HydrophobicContact CG-CB 4.25Å
393	L	97.5	Very high	94.7	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	109.8	171.6	178.1	56.9	0	0	0	109.4	I369 F384 L390 L395 F408 L411 L414 N416 L417 D418	I369-L393 HydrophobicContact CB-CD1 3.87Å; I369-L393 HydrophobicContact CG2-CD1 3.61Å; I369-L393 WeakPolarHBondContact O-CA 3.28Å; F384-L393 HydrophobicContact CD2-CD2 4.31Å; F384-L393 HydrophobicContact CE1-CD1 4.01Å; F384-L393 HydrophobicContact CE2-CD2 4.09Å; F384-L393 HydrophobicContact CZ-CD1 3.92Å; F384-L393 HydrophobicContact CZ-CD2 4.23Å; L390-L393 HydrophobicContact CD2-CB 4.21Å; L390-L393 HydrophobicContact CD2-CD2 4.42Å; L393-L395 HydrophobicContact CD1-CD1 4.07Å; L393-L395 HydrophobicContact CD1-CG 4.01Å; L393-L395 HydrophobicContact CD2-CD1 3.92Å; L393-L395 HydrophobicContact CG-CD1 3.92Å; L393-L395 HydrophobicContact CG-CG 4.17Å; L393-F408 HydrophobicContact CD2-CE1 4.11Å; L393-L411 HydrophobicContact CD2-CD1 4.28Å; L393-L414 HydrophobicContact CB-CD1 3.83Å; L393-N416 PolarHBondContact N-O 2.82Å; L393-L417 HydrophobicContact CB-CD1 4.06Å; L393-L417 HydrophobicContact CD2-CD1 3.98Å; L393-L417 HydrophobicContact CG-CD1 4Å; L393-L417 WeakPolarHBondContact O-CA 3.49Å; L393-D418 PolarHBondContact O-N 3.16Å
394	D	98.1	Very high	94.8	Very high	20 Å²	20	46.5 Å²	46.5	11%	0.107	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115.1	173.1	-159.9	-48.5	0	0	0	110.6	I369 F371 L392 S396 D418	I369-D394 PolarHBondContact O-N 3.31Å; F371-D394 PolarHBondContact N-O 3.06Å; L392-D394 HydrophobicContact CD2-CB 4.31Å; D394-S396 WeakPolarHBondContact OD1-CB 3.19Å; D394-S396 PolarHBondContact OD1-N 2.97Å; D394-S396 PolarHBondContact OD1-OG 2.81Å; D394-D418 HydrophobicContact CB-CB 4.31Å
395	L	97.3	Very high	94.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.252	C	S	.	.			trans	-121.3	20.7	176.2	-74.3	164.6	0	0	0	110.2	L357 F371 I376 I379 F384 L393 N398 I400 D418 L419 N422	L357-L395 HydrophobicContact CD1-CD2 4.41Å; F371-L395 HydrophobicContact CB-CD2 4.07Å; F371-L395 HydrophobicContact CD2-CD2 4.05Å; F371-L395 HydrophobicContact CG-CD2 4.49Å; I376-L395 HydrophobicContact CD1-CD2 4.27Å; I379-L395 HydrophobicContact CD1-CD1 4.31Å; I379-L395 HydrophobicContact CD1-CD2 4.16Å; F384-L395 HydrophobicContact CE2-CD1 4.08Å; F384-L395 HydrophobicContact CZ-CD1 4.21Å; F384-L395 HydrophobicContact CZ-CD2 4.37Å; L393-L395 HydrophobicContact CD1-CD1 4.07Å; L393-L395 HydrophobicContact CD1-CG 4.01Å; L393-L395 HydrophobicContact CD2-CD1 3.92Å; L393-L395 HydrophobicContact CG-CD1 3.92Å; L393-L395 HydrophobicContact CG-CG 4.17Å; L395-N398 PolarHBondContact O-ND2 2.83Å; L395-I400 HydrophobicContact CB-CD1 3.99Å; L395-I400 HydrophobicContact CD1-CD1 4.47Å; L395-I400 HydrophobicContact CD2-CD1 4.22Å; L395-I400 HydrophobicContact CG-CD1 4.47Å; L395-D418 CarbonylContact C-O 3.11Å; L395-D418 WeakPolarHBondContact CA-O 3.19Å; L395-D418 PolarHBondContact N-O 3.34Å; L395-L419 HydrophobicContact CB-CD2 3.74Å; L395-L419 HydrophobicContact CD1-CD2 3.88Å; L395-L419 HydrophobicContact CG-CD2 4.48Å; L395-N422 PolarHBondContact O-ND2 3.41Å
396	S	97.2	Very high	94.8	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.021	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	158	-174.8	67.5	0	0	0	0	112.9	Q372 H373 D394 N398 D418 S420	Q372-S396 WeakPolarHBondContact CA-O 3.38Å; Q372-S396 WeakPolarHBondContact CG-OG 3.48Å; H373-S396 PolarHBondContact N-O 3.15Å; D394-S396 WeakPolarHBondContact OD1-CB 3.19Å; D394-S396 PolarHBondContact OD1-N 2.97Å; D394-S396 PolarHBondContact OD1-OG 2.81Å; S396-N398 VanDerWaalsContact C-N 3.28Å; S396-N398 PolarHBondContact O-N 3.22Å; S396-N398 PolarHBondContact O-ND2 2.92Å; S396-D418 WeakPolarHBondContact CB-OD1 3.39Å; S396-D418 PolarHBondContact N-O 3.48Å; S396-S420 CarbonylContact C-O 3.53Å; S396-S420 VanDerWaalsContact CA-O 3.26Å; S396-S420 WeakPolarHBondContact CA-O 3.23Å; S396-S420 WeakPolarHBondContact CB-OG 3.44Å
397	R	96.8	Very high	95.1	Very high	114 Å²	114	47.3 Å²	47.3	43%	0.43	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	37.5	174.4	-57.7	172.9	177	-100.4	-5.1	113.7	H373 S420 M421	H373-R397 WeakPolarHBondContact CA-O 3.42Å; H373-R397 HydrophobicContact CB-CB 4.15Å; R397-S420 PolarHBondContact N-O 3.5Å; R397-M421 VanDerWaalsContact CA-O 3.27Å; R397-M421 WeakPolarHBondContact CA-O 3.31Å; R397-M421 HydrophobicContact CG-CB 3.96Å; R397-M421 HydrophobicContact CG-CE 4.26Å; R397-M421 HydrophobicContact CG-CG 4.4Å; R397-M421 HydrophobicContact CG-SD 3.8Å; R397-M421 VanDerWaalsContact CZ-SD 3.56Å; R397-M421 PolarHBondContact N-O 3.04Å
398	N	97.1	Very high	95.1	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.048	23%	0.227	C	C	.	.	S	Bend	trans	-111.6	-177.9	177.7	-87	-93.9	0	0	0	111.3	F371 N374 I376 L395 S396 I400 M421 N422	F371-N398 PolarHBondContact O-ND2 3.02Å; N374-N398 WeakPolarHBondContact CA-OD1 3.49Å; N374-N398 WeakPolarHBondContact CB-OD1 3.4Å; N374-N398 WeakPolarHBondContact O-CA 2.77Å; N374-N398 PolarHBondContact O-OD1 3.16Å; N374-N398 VanDerWaalsContact O-OD1 3.1Å; I376-N398 HydrophobicContact CB-CB 4.45Å; I376-N398 VanDerWaalsContact CB-OD1 3.27Å; I376-N398 WeakPolarHBondContact CB-OD1 3.45Å; I376-N398 WeakPolarHBondContact CD1-OD1 3.43Å; I376-N398 VanDerWaalsContact CG1-OD1 3.29Å; I376-N398 WeakPolarHBondContact CG1-OD1 3.49Å; I376-N398 PolarHBondContact N-OD1 3.42Å; L395-N398 PolarHBondContact O-ND2 2.83Å; S396-N398 VanDerWaalsContact C-N 3.28Å; S396-N398 PolarHBondContact O-N 3.22Å; S396-N398 PolarHBondContact O-ND2 2.92Å; N398-I400 HydrophobicContact CB-CD1 4.2Å; N398-I400 HydrophobicContact CB-CG1 3.95Å; N398-M421 PolarHBondContact N-O 3.25Å; N398-N422 WeakPolarHBondContact CA-OD1 3.36Å; N398-N422 WeakPolarHBondContact CB-OD1 3.4Å; N398-N422 PolarHBondContact O-OD1 2.96Å
399	E	95.8	Very high	95.1	Very high	61 Å²	61	48.8 Å²	48.8	29%	0.285	23%	0.229	S	C	.	.			trans	-99.1	17.6	179.9	-70	-178.6	-151.1	0	0	113.2	H375 I376 Q377 R401	H375-E399 IonicContact CE1-OE1 3.46Å; H375-E399 IonicContact CG-OE1 3.66Å; H375-E399 IonicContact ND1-OE1 2.65Å; H375-E399 PolarHBondContact ND1-OE1 3.43Å; I376-E399 CarbonylContact O-C 3.53Å; I376-E399 WeakPolarHBondContact O-CA 3.41Å; I376-E399 PolarHBondContact O-N 3.26Å; Q377-E399 HydrophobicContact CG-CB 4Å; Q377-E399 PolarHBondContact NE2-OE2 2.96Å; E399-R401 VanDerWaalsContact O-CG 3.3Å; E399-R401 WeakPolarHBondContact O-CG 3.39Å; E399-R401 PolarHBondContact O-N 2.79Å
400	I	96.3	Very high	94.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.224	C	C	.	.			trans	-65	123.2	-165.3	-52.8	168.4	0	0	0	110.3	I376 Q377 I379 L395 N398 I403 L419 N422 S423 L424	I376-I400 HydrophobicContact CB-CG1 4.3Å; I376-I400 HydrophobicContact CG2-CD1 4.48Å; I376-I400 HydrophobicContact CG2-CG1 4.15Å; I376-I400 VanDerWaalsContact O-CG1 3.28Å; I376-I400 WeakPolarHBondContact O-CG1 3.27Å; I376-I400 PolarHBondContact O-N 3.32Å; Q377-I400 WeakPolarHBondContact O-CA 3.48Å; I379-I400 HydrophobicContact CD1-CD1 4.19Å; I379-I400 HydrophobicContact CG1-CD1 4.16Å; I379-I400 HydrophobicContact CG1-CG2 4.22Å; L395-I400 HydrophobicContact CB-CD1 3.99Å; L395-I400 HydrophobicContact CD1-CD1 4.47Å; L395-I400 HydrophobicContact CD2-CD1 4.22Å; L395-I400 HydrophobicContact CG-CD1 4.47Å; N398-I400 HydrophobicContact CB-CD1 4.2Å; N398-I400 HydrophobicContact CB-CG1 3.95Å; I400-I403 HydrophobicContact CG2-CG1 3.9Å; I400-L419 HydrophobicContact CD1-CD2 4.42Å; I400-N422 VanDerWaalsContact CB-OD1 3.26Å; I400-N422 WeakPolarHBondContact CB-OD1 3.35Å; I400-N422 VanDerWaalsContact CG1-OD1 3.23Å; I400-N422 WeakPolarHBondContact CG1-OD1 3.37Å; I400-N422 PolarHBondContact N-OD1 3.32Å; I400-S423 CarbonylContact O-C 3.53Å; I400-S423 VanDerWaalsContact O-CA 3.31Å; I400-S423 WeakPolarHBondContact O-CA 3.23Å; I400-S423 PolarHBondContact O-N 3.09Å; I400-L424 HydrophobicContact CB-CD2 4.16Å; I400-L424 HydrophobicContact CG2-CD2 3.7Å; I400-L424 PolarHBondContact O-N 2.94Å
401	R	93.8	Very high	94.6	Very high	144 Å²	144	48.4 Å²	48.4	54%	0.543	22%	0.224	S	C	.	.			trans	-104.5	-35.6	-179.9	-51.4	-174.9	-173.5	175.9	2.8	112.5	Q377 E399	Q377-R401 PolarHBondContact O-N 3.22Å; E399-R401 VanDerWaalsContact O-CG 3.3Å; E399-R401 WeakPolarHBondContact O-CG 3.39Å; E399-R401 PolarHBondContact O-N 2.79Å
402	V	93.6	Very high	94.3	Very high	96 Å²	96	46.3 Å²	46.3	58%	0.582	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.6	-174.3	-177.5	0	0	0	0	109.4	Q378 I379	Q378-V402 WeakPolarHBondContact CA-O 3.4Å; I379-V402 PolarHBondContact N-O 3.11Å; I379-V402 VanDerWaalsContact N-O 3.09Å
403	I	95.3	Very high	93.9	Very high	14 Å²	14	44.5 Å²	44.5	7%	0.072	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	128.5	169.1	-61.1	167.1	0	0	0	106.5	I379 I400 A407 F408 L419 L424 I427 P428	I379-I403 HydrophobicContact CB-CB 4.4Å; I379-I403 HydrophobicContact CB-CG1 4.18Å; I379-I403 HydrophobicContact CB-CG2 4.11Å; I379-I403 HydrophobicContact CG1-CG1 4.13Å; I379-I403 HydrophobicContact CG2-CG2 4.29Å; I400-I403 HydrophobicContact CG2-CG1 3.9Å; I403-A407 HydrophobicContact CG2-CB 4.13Å; I403-F408 HydrophobicContact CD1-CE2 4.24Å; I403-F408 HydrophobicContact CD1-CZ 4.08Å; I403-F408 HydrophobicContact CG2-CE1 4.34Å; I403-F408 HydrophobicContact CG2-CE2 4Å; I403-F408 HydrophobicContact CG2-CZ 3.88Å; I403-L419 HydrophobicContact CD1-CD1 4.06Å; I403-L419 HydrophobicContact CD1-CD2 4.03Å; I403-L424 HydrophobicContact CD1-CD1 4.12Å; I403-L424 HydrophobicContact CD1-CD2 3.72Å; I403-L424 HydrophobicContact CG1-CD2 3.89Å; I403-I427 HydrophobicContact CD1-CG2 4.46Å; I403-P428 HydrophobicContact CB-CG 4.37Å; I403-P428 HydrophobicContact CG2-CG 3.73Å
404	H	95.2	Very high	93.7	Very high	61 Å²	61	44.4 Å²	44.4	28%	0.282	22%	0.223	S	C	.	.			trans	-63.6	137.9	178.9	-177.8	-98.1	0	0	0	111.3	I379 R381 D406 A407	I379-H404 PolarHBondContact O-N 2.85Å; R381-H404 WeakPolarHBondContact CB-ND1 3.5Å; H404-D406 IonicContact CE1-OD2 3.75Å; H404-D406 PolarHBondContact CE1-OD2 3.31Å; H404-D406 VanDerWaalsContact CE1-OD2 3.26Å; H404-D406 PolarHBondContact ND1-N 3Å; H404-D406 PolarHBondContact O-N 2.81Å; H404-A407 HydrophobicContact CB-CB 4.34Å; H404-A407 WeakPolarHBondContact O-CB 3.37Å; H404-A407 PolarHBondContact O-N 3.42Å
405	K	91.2	Very high	93.6	Very high	127 Å²	127	45.2 Å²	45.2	55%	0.552	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-32	-172.9	52.1	160.9	-173	104.5	0	115.5	P428 T430	K405-P428 WeakPolarHBondContact O-CB 3.38Å; K405-T430 PolarHBondContact O-OG1 3.33Å
406	D	92.6	Very high	93.5	Very high	39 Å²	39	47.5 Å²	47.5	21%	0.209	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-0.9	-176.2	-48.4	-35.2	0	0	0	112.5	R381 H404 F408 L409	R381-D406 HydrophobicContact CG-CB 4.4Å; H404-D406 IonicContact CE1-OD2 3.75Å; H404-D406 PolarHBondContact CE1-OD2 3.31Å; H404-D406 VanDerWaalsContact CE1-OD2 3.26Å; H404-D406 PolarHBondContact ND1-N 3Å; H404-D406 PolarHBondContact O-N 2.81Å; D406-F408 VanDerWaalsContact C-N 3.29Å; D406-F408 PolarHBondContact O-N 2.98Å; D406-L409 WeakPolarHBondContact O-CB 3.47Å; D406-L409 PolarHBondContact O-N 2.86Å; D406-L409 VanDerWaalsContact O-N 3.07Å
407	A	93.6	Very high	93.5	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.008	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.6	-171.9	0	0	0	0	0	114.1	I379 D380 I403 H404	I379-A407 HydrophobicContact CG2-CB 4.05Å; D380-A407 VanDerWaalsContact O-CB 3.27Å; D380-A407 WeakPolarHBondContact O-CB 3.38Å; I403-A407 HydrophobicContact CG2-CB 4.13Å; H404-A407 HydrophobicContact CB-CB 4.34Å; H404-A407 WeakPolarHBondContact O-CB 3.37Å; H404-A407 PolarHBondContact O-N 3.42Å
408	F	93.4	Very high	93.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	4.7	178	-57.9	-29.2	0	0	0	113.5	F384 L393 I403 D406 S410 L411 L417 L419 P428 L432	F384-F408 HydrophobicContact CD2-CD1 4.41Å; F384-F408 HydrophobicContact CD2-CE1 4.09Å; F384-F408 HydrophobicContact CE2-CE1 4.36Å; L393-F408 HydrophobicContact CD2-CE1 4.11Å; I403-F408 HydrophobicContact CD1-CE2 4.24Å; I403-F408 HydrophobicContact CD1-CZ 4.08Å; I403-F408 HydrophobicContact CG2-CE1 4.34Å; I403-F408 HydrophobicContact CG2-CE2 4Å; I403-F408 HydrophobicContact CG2-CZ 3.88Å; D406-F408 VanDerWaalsContact C-N 3.29Å; D406-F408 PolarHBondContact O-N 2.98Å; F408-S410 PolarHBondContact O-N 3.16Å; F408-L411 HydrophobicContact CB-CD1 4.12Å; F408-L411 HydrophobicContact CD1-CD1 3.63Å; F408-L411 HydrophobicContact CE1-CD1 4.45Å; F408-L411 HydrophobicContact CG-CD1 4.19Å; F408-L411 WeakPolarHBondContact O-CB 3.41Å; F408-L411 PolarHBondContact O-N 3.16Å; F408-L411 VanDerWaalsContact O-N 3.1Å; F408-L417 HydrophobicContact CE2-CD2 4.12Å; F408-L419 HydrophobicContact CE2-CD1 4.36Å; F408-L419 HydrophobicContact CZ-CD1 4.44Å; F408-P428 HydrophobicContact CD2-CG 3.82Å; F408-P428 HydrophobicContact CE2-CG 4.13Å; F408-L432 HydrophobicContact CB-CD2 3.83Å; F408-L432 HydrophobicContact CB-CG 4.42Å; F408-L432 HydrophobicContact CD2-CD1 4.15Å; F408-L432 HydrophobicContact CD2-CD2 3.88Å; F408-L432 HydrophobicContact CD2-CG 4.26Å; F408-L432 HydrophobicContact CG-CD2 4.08Å
409	L	90.3	Very high	93.5	Very high	100 Å²	100	42.3 Å²	42.3	52%	0.524	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-31.5	-172.7	-177.2	63.3	0	0	0	113.4	D406	D406-L409 WeakPolarHBondContact O-CB 3.47Å; D406-L409 PolarHBondContact O-N 2.86Å; D406-L409 VanDerWaalsContact O-N 3.07Å
410	S	87.9	Confident	93.5	Very high	28 Å²	28	40 Å²	40	20%	0.196	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-11.1	-179.3	86.2	0	0	0	0	114.4	F384 D386 L387 F408 T412	F384-S410 PolarHBondContact O-OG 3.01Å; D386-S410 PolarHBondContact N-OG 2.88Å; D386-S410 VanDerWaalsContact N-OG 3.08Å; L387-S410 PolarHBondContact N-OG 3.4Å; F408-S410 PolarHBondContact O-N 3.16Å; S410-T412 PolarHBondContact O-N 3.13Å
411	L	90.7	Very high	93.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.			trans	-82.3	49.1	-167.4	-58.1	-173.6	0	0	0	113.1	F384 L387 L390 L393 F408 G413 L414	F384-L411 HydrophobicContact CB-CD1 4.28Å; F384-L411 HydrophobicContact CB-CD2 4.23Å; L387-L411 HydrophobicContact CB-CD2 3.77Å; L390-L411 HydrophobicContact CB-CD2 4.29Å; L390-L411 HydrophobicContact CD2-CD1 4.27Å; L390-L411 HydrophobicContact CD2-CD2 3.85Å; L393-L411 HydrophobicContact CD2-CD1 4.28Å; F408-L411 HydrophobicContact CB-CD1 4.12Å; F408-L411 HydrophobicContact CD1-CD1 3.63Å; F408-L411 HydrophobicContact CE1-CD1 4.45Å; F408-L411 HydrophobicContact CG-CD1 4.19Å; F408-L411 WeakPolarHBondContact O-CB 3.41Å; F408-L411 PolarHBondContact O-N 3.16Å; F408-L411 VanDerWaalsContact O-N 3.1Å; L411-G413 PolarHBondContact O-N 3.4Å; L411-G413 VanDerWaalsContact O-N 3.14Å; L411-L414 HydrophobicContact CB-CB 4.11Å; L411-L414 HydrophobicContact CB-CD2 4.5Å; L411-L414 HydrophobicContact CD1-CD2 4.21Å; L411-L414 WeakPolarHBondContact O-CB 3.37Å; L411-L414 PolarHBondContact O-N 3.14Å; L411-L414 VanDerWaalsContact O-N 3.11Å
412	T	88.3	Confident	93.6	Very high	91 Å²	91	37.8 Å²	37.8	56%	0.558	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.4	-174.7	54.2	0	0	0	0	114.5	S410 A434	S410-T412 PolarHBondContact O-N 3.13Å; T412-A434 VanDerWaalsContact O-CB 3.28Å; T412-A434 WeakPolarHBondContact O-CB 3.36Å
413	G	89.3	Confident	93.6	Very high	25 Å²	25	36 Å²	36	26%	0.258	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-6.8	176.2	0	0	0	0	0	115.3	L390 L411 T415	L390-G413 CarbonylContact O-C 2.98Å; L411-G413 PolarHBondContact O-N 3.4Å; L411-G413 VanDerWaalsContact O-N 3.14Å; G413-T415 PolarHBondContact O-N 2.88Å
414	L	94.6	Very high	93.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.			trans	-71	118.8	-165.2	-167.5	76.1	0	0	0	112.1	L390 R391 L393 L411 L417 L432 A434 V435	L390-L414 HydrophobicContact CD2-CD1 4.08Å; L390-L414 HydrophobicContact CG-CD1 3.98Å; L390-L414 WeakPolarHBondContact O-CA 3.44Å; L390-L414 PolarHBondContact O-N 2.79Å; R391-L414 WeakPolarHBondContact O-CD1 3.33Å; L393-L414 HydrophobicContact CB-CD1 3.83Å; L411-L414 HydrophobicContact CB-CB 4.11Å; L411-L414 HydrophobicContact CB-CD2 4.5Å; L411-L414 HydrophobicContact CD1-CD2 4.21Å; L411-L414 WeakPolarHBondContact O-CB 3.37Å; L411-L414 PolarHBondContact O-N 3.14Å; L411-L414 VanDerWaalsContact O-N 3.11Å; L414-L417 HydrophobicContact CD2-CB 4.06Å; L414-L417 HydrophobicContact CD2-CD1 4.41Å; L414-L417 HydrophobicContact CD2-CD2 4.23Å; L414-L417 HydrophobicContact CD2-CG 4.47Å; L414-L432 HydrophobicContact CD2-CD2 3.94Å; L414-A434 CarbonylContact O-C 3.36Å; L414-A434 WeakPolarHBondContact O-CB 3.49Å; L414-V435 HydrophobicContact CB-CG2 4.46Å; L414-V435 HydrophobicContact CD2-CG2 4.19Å; L414-V435 HydrophobicContact CG-CG2 4.4Å; L414-V435 VanDerWaalsContact O-CA 3.26Å; L414-V435 WeakPolarHBondContact O-CA 3.23Å; L414-V435 WeakPolarHBondContact O-CG2 3.38Å; L414-V435 PolarHBondContact O-N 3.03Å; L414-V435 VanDerWaalsContact O-N 3.13Å
415	T	95	Very high	93.3	Very high	36 Å²	36	35.2 Å²	35.2	22%	0.221	20%	0.203	C	C	.	.			trans	-103.1	-30.9	179.1	57.7	0	0	0	0	112.9	R391 G413 I436 Q437	R391-T415 PolarHBondContact O-N 2.67Å; R391-T415 PolarHBondContact O-OG1 3Å; G413-T415 PolarHBondContact O-N 2.88Å; T415-I436 HydrophobicContact CG2-CD1 3.99Å; T415-I436 HydrophobicContact CG2-CG1 4.37Å; T415-I436 WeakPolarHBondContact O-CA 3.35Å; T415-I436 PolarHBondContact O-N 3.18Å; T415-Q437 PolarHBondContact O-N 2.94Å
416	N	96.7	Very high	93.2	Very high	49 Å²	49	33.5 Å²	33.5	26%	0.262	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	118.8	-173.1	-64.4	68.4	0	0	0	110	R391 L392 L393 Q437	R391-N416 PolarHBondContact O-N 3.38Å; L392-N416 WeakPolarHBondContact CA-O 3.47Å; L392-N416 HydrophobicContact CB-CB 4.43Å; L392-N416 HydrophobicContact CG-CB 4.25Å; L393-N416 PolarHBondContact N-O 2.82Å; N416-Q437 WeakPolarHBondContact CA-O 3.33Å; N416-Q437 PolarHBondContact ND2-OE1 3.31Å
417	L	96.9	Very high	93.2	Very high	3 Å²	3	32 Å²	32	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	116	178.4	178.7	54.6	0	0	0	110.2	L393 F408 L414 L419 L432 Q437 L438 K439	L393-L417 HydrophobicContact CB-CD1 4.06Å; L393-L417 HydrophobicContact CD2-CD1 3.98Å; L393-L417 HydrophobicContact CG-CD1 4Å; L393-L417 WeakPolarHBondContact O-CA 3.49Å; F408-L417 HydrophobicContact CE2-CD2 4.12Å; L414-L417 HydrophobicContact CD2-CB 4.06Å; L414-L417 HydrophobicContact CD2-CD1 4.41Å; L414-L417 HydrophobicContact CD2-CD2 4.23Å; L414-L417 HydrophobicContact CD2-CG 4.47Å; L417-L419 HydrophobicContact CD1-CD1 4.08Å; L417-L419 HydrophobicContact CD1-CG 3.98Å; L417-L419 HydrophobicContact CD2-CD1 3.91Å; L417-L419 HydrophobicContact CG-CD1 3.96Å; L417-L419 HydrophobicContact CG-CG 4.16Å; L417-L432 HydrophobicContact CD2-CD1 3.94Å; L417-L432 HydrophobicContact CD2-CD2 4.05Å; L417-Q437 PolarHBondContact N-O 3.41Å; L417-L438 HydrophobicContact CB-CD1 3.98Å; L417-L438 HydrophobicContact CD2-CD1 3.83Å; L417-L438 HydrophobicContact CG-CD1 3.9Å; L417-L438 CarbonylContact O-C 3.52Å; L417-L438 WeakPolarHBondContact O-CA 3.39Å; L417-K439 PolarHBondContact O-N 3.33Å
418	D	97.6	Very high	93.1	Very high	13 Å²	13	32.7 Å²	32.7	7%	0.07	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.5	172.4	-158.6	-24	0	0	0	110.7	L393 D394 L395 S396 S420 K439	L393-D418 PolarHBondContact O-N 3.16Å; D394-D418 HydrophobicContact CB-CB 4.31Å; L395-D418 CarbonylContact C-O 3.11Å; L395-D418 WeakPolarHBondContact CA-O 3.19Å; L395-D418 PolarHBondContact N-O 3.34Å; S396-D418 WeakPolarHBondContact CB-OD1 3.39Å; S396-D418 PolarHBondContact N-O 3.48Å; D418-S420 WeakPolarHBondContact OD1-CB 3.2Å; D418-S420 PolarHBondContact OD1-N 3.39Å; D418-S420 PolarHBondContact OD1-OG 3.48Å; D418-K439 HydrophobicContact CB-CB 4.45Å; D418-K439 HydrophobicContact CB-CD 3.96Å; D418-K439 WeakPolarHBondContact OD2-CD 3.26Å; D418-K439 WeakPolarHBondContact OD2-CE 3.35Å; D418-K439 IonicContact OD2-NZ 2.88Å; D418-K439 PolarHBondContact OD2-NZ 2.82Å
419	L	96.5	Very high	92.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.206	C	C	.	.			trans	-124.9	20	174.7	-74.1	166.3	0	0	0	110.2	L395 I400 I403 F408 L417 N422 L424 I427 K439 L440 N443	L395-L419 HydrophobicContact CB-CD2 3.74Å; L395-L419 HydrophobicContact CD1-CD2 3.88Å; L395-L419 HydrophobicContact CG-CD2 4.48Å; I400-L419 HydrophobicContact CD1-CD2 4.42Å; I403-L419 HydrophobicContact CD1-CD1 4.06Å; I403-L419 HydrophobicContact CD1-CD2 4.03Å; F408-L419 HydrophobicContact CE2-CD1 4.36Å; F408-L419 HydrophobicContact CZ-CD1 4.44Å; L417-L419 HydrophobicContact CD1-CD1 4.08Å; L417-L419 HydrophobicContact CD1-CG 3.98Å; L417-L419 HydrophobicContact CD2-CD1 3.91Å; L417-L419 HydrophobicContact CG-CD1 3.96Å; L417-L419 HydrophobicContact CG-CG 4.16Å; L419-N422 PolarHBondContact O-ND2 3.07Å; L419-L424 HydrophobicContact CB-CD1 3.95Å; L419-L424 HydrophobicContact CD1-CD1 4.29Å; L419-L424 HydrophobicContact CD2-CD1 4.2Å; L419-L424 HydrophobicContact CG-CD1 4.39Å; L419-I427 HydrophobicContact CD1-CG2 4.05Å; L419-K439 CarbonylContact C-O 3.26Å; L419-K439 WeakPolarHBondContact CA-O 3.4Å; L419-K439 PolarHBondContact N-O 3.37Å; L419-L440 HydrophobicContact CB-CD2 3.94Å; L419-L440 HydrophobicContact CD1-CD2 4.31Å; L419-N443 PolarHBondContact O-ND2 3.31Å
420	S	95.8	Very high	92.5	Very high	13 Å²	13	32.5 Å²	32.5	9%	0.091	20%	0.202	C	C	.	.			trans	-64.9	156	-179	64.1	0	0	0	0	112.4	S396 R397 D418 N422 K439 S441	S396-S420 CarbonylContact C-O 3.53Å; S396-S420 VanDerWaalsContact CA-O 3.26Å; S396-S420 WeakPolarHBondContact CA-O 3.23Å; S396-S420 WeakPolarHBondContact CB-OG 3.44Å; R397-S420 PolarHBondContact N-O 3.5Å; D418-S420 WeakPolarHBondContact OD1-CB 3.2Å; D418-S420 PolarHBondContact OD1-N 3.39Å; D418-S420 PolarHBondContact OD1-OG 3.48Å; S420-N422 PolarHBondContact O-N 3.01Å; S420-N422 PolarHBondContact O-ND2 2.86Å; S420-K439 PolarHBondContact N-O 2.87Å; S420-S441 CarbonylContact C-O 3.03Å; S420-S441 VanDerWaalsContact CA-O 3.28Å; S420-S441 WeakPolarHBondContact CA-O 3.32Å; S420-S441 VanDerWaalsContact CB-O 3.23Å; S420-S441 WeakPolarHBondContact CB-O 3.47Å
421	M	94.9	Very high	92.2	Very high	92 Å²	92	32.1 Å²	32.1	45%	0.453	20%	0.203	S	C	.	.	S	Bend	trans	52.4	51.4	177.4	-56.6	-179	63.3	0	0	113.4	R397 N398 S441	R397-M421 VanDerWaalsContact CA-O 3.27Å; R397-M421 WeakPolarHBondContact CA-O 3.31Å; R397-M421 HydrophobicContact CG-CB 3.96Å; R397-M421 HydrophobicContact CG-CE 4.26Å; R397-M421 HydrophobicContact CG-CG 4.4Å; R397-M421 HydrophobicContact CG-SD 3.8Å; R397-M421 VanDerWaalsContact CZ-SD 3.56Å; R397-M421 PolarHBondContact N-O 3.04Å; N398-M421 PolarHBondContact N-O 3.25Å; M421-S441 PolarHBondContact N-O 3.07Å
422	N	96.1	Very high	92.1	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.032	20%	0.203	C	C	.	.	S	Bend	trans	-124.3	-175.8	177.5	-89.5	-88.2	0	0	0	110.8	L395 N398 I400 L419 S420 L424 N443	L395-N422 PolarHBondContact O-ND2 3.41Å; N398-N422 WeakPolarHBondContact CA-OD1 3.36Å; N398-N422 WeakPolarHBondContact CB-OD1 3.4Å; N398-N422 PolarHBondContact O-OD1 2.96Å; I400-N422 VanDerWaalsContact CB-OD1 3.26Å; I400-N422 WeakPolarHBondContact CB-OD1 3.35Å; I400-N422 VanDerWaalsContact CG1-OD1 3.23Å; I400-N422 WeakPolarHBondContact CG1-OD1 3.37Å; I400-N422 PolarHBondContact N-OD1 3.32Å; L419-N422 PolarHBondContact O-ND2 3.07Å; S420-N422 PolarHBondContact O-N 3.01Å; S420-N422 PolarHBondContact O-ND2 2.86Å; N422-L424 HydrophobicContact CB-CD1 4.32Å; N422-L424 HydrophobicContact CB-CG 4.14Å; N422-N443 WeakPolarHBondContact CA-OD1 3.4Å; N422-N443 WeakPolarHBondContact CB-OD1 3.48Å; N422-N443 PolarHBondContact O-OD1 3.08Å; N422-N443 VanDerWaalsContact O-OD1 3.06Å
423	S	94.2	Very high	92	Very high	58 Å²	58	30.9 Å²	30.9	41%	0.406	20%	0.198	S	C	.	.			trans	-105.5	26.8	179.1	-67.4	0	0	0	0	113.6	I400	I400-S423 CarbonylContact O-C 3.53Å; I400-S423 VanDerWaalsContact O-CA 3.31Å; I400-S423 WeakPolarHBondContact O-CA 3.23Å; I400-S423 PolarHBondContact O-N 3.09Å
424	L	93.4	Very high	92.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.19	C	C	.	.			trans	-72.7	144.3	-173.2	-61	167.7	0	0	0	112.6	I400 I403 L419 N422 I427 N443 M446	I400-L424 HydrophobicContact CB-CD2 4.16Å; I400-L424 HydrophobicContact CG2-CD2 3.7Å; I400-L424 PolarHBondContact O-N 2.94Å; I403-L424 HydrophobicContact CD1-CD1 4.12Å; I403-L424 HydrophobicContact CD1-CD2 3.72Å; I403-L424 HydrophobicContact CG1-CD2 3.89Å; L419-L424 HydrophobicContact CB-CD1 3.95Å; L419-L424 HydrophobicContact CD1-CD1 4.29Å; L419-L424 HydrophobicContact CD2-CD1 4.2Å; L419-L424 HydrophobicContact CG-CD1 4.39Å; N422-L424 HydrophobicContact CB-CD1 4.32Å; N422-L424 HydrophobicContact CB-CG 4.14Å; L424-I427 HydrophobicContact CD1-CG2 4.05Å; L424-N443 HydrophobicContact CB-CB 4.44Å; L424-N443 VanDerWaalsContact CB-OD1 3.24Å; L424-N443 WeakPolarHBondContact CB-OD1 3.4Å; L424-N443 WeakPolarHBondContact CG-OD1 3.47Å; L424-N443 PolarHBondContact N-OD1 2.68Å; L424-M446 HydrophobicContact CB-CE 3.57Å; L424-M446 HydrophobicContact CD1-CE 4.18Å; L424-M446 PolarHBondContact O-N 3.28Å
425	S	90.3	Very high	92	Very high	58 Å²	58	30.3 Å²	30.3	41%	0.406	19%	0.191	S	C	.	.	S	Bend	trans	-105.2	-35.6	170.9	56.7	0	0	0	0	113.1	M446	S425-M446 WeakPolarHBondContact O-CA 3.31Å
426	V	89.9	Confident	91.9	Very high	91 Å²	91	31.6 Å²	31.6	55%	0.552	20%	0.196	S	C	*	.			trans	-145.4	147.4	-179.8	-179.7	0	0	0	0	108.8
427	I	91.9	Very high	91.8	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.041	20%	0.197	C	C	.	.			trans	-112.5	143	168.1	54.5	165.8	0	0	0	110.9	I403 L419 L424 L438 L440 M446 L450	I403-I427 HydrophobicContact CD1-CG2 4.46Å; L419-I427 HydrophobicContact CD1-CG2 4.05Å; L424-I427 HydrophobicContact CD1-CG2 4.05Å; I427-L438 HydrophobicContact CD1-CD2 4.02Å; I427-L440 HydrophobicContact CD1-CD1 3.95Å; I427-L440 HydrophobicContact CD1-CD2 4.1Å; I427-L440 HydrophobicContact CG2-CD2 4.1Å; I427-M446 HydrophobicContact CG2-CE 3.86Å; I427-L450 HydrophobicContact CD1-CD1 4.16Å; I427-L450 HydrophobicContact CD1-CD2 3.98Å; I427-L450 HydrophobicContact CG1-CD2 3.77Å
428	P	91.1	Very high	91.7	Very high	15 Å²	15	32.1 Å²	32.1	10%	0.097	20%	0.196	C	C	.	.			trans	-70	135.5	166.2	28.2	-30.4	0	0	0	110.1	I403 K405 F408 L432	I403-P428 HydrophobicContact CB-CG 4.37Å; I403-P428 HydrophobicContact CG2-CG 3.73Å; K405-P428 WeakPolarHBondContact O-CB 3.38Å; F408-P428 HydrophobicContact CD2-CG 3.82Å; F408-P428 HydrophobicContact CE2-CG 4.13Å; P428-L432 VanDerWaalsContact O-CD1 3.28Å; P428-L432 WeakPolarHBondContact O-CD1 3.26Å
429	T	85.6	Confident	91.6	Very high	24 Å²	24	34.6 Å²	34.6	15%	0.147	21%	0.206	C	C	.	.			trans	-103.5	-5.9	175.4	47.6	0	0	0	0	112.7	G431 L432 N454	T429-G431 PolarHBondContact O-N 2.71Å; T429-L432 PolarHBondContact O-N 3.42Å; T429-N454 HydrophobicContact CG2-CB 4.39Å; T429-N454 PolarHBondContact OG1-ND2 3.48Å
430	T	85.9	Confident	91.5	Very high	72 Å²	72	34.6 Å²	34.6	44%	0.442	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	119.2	171.6	23.5	0	0	0	0	111	K405	K405-T430 PolarHBondContact O-OG1 3.33Å
431	G	81.8	Confident	91.2	Very high	21 Å²	21	36.1 Å²	36.1	22%	0.216	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	-28	-176.9	0	0	0	0	0	114.6	T429 S433	T429-G431 PolarHBondContact O-N 2.71Å; G431-S433 PolarHBondContact O-N 2.83Å
432	L	88.1	Confident	90.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-75	21.3	-172	-58.5	-172.1	0	0	0	115.6	F408 L414 L417 P428 T429 A434 V435 L455	F408-L432 HydrophobicContact CB-CD2 3.83Å; F408-L432 HydrophobicContact CB-CG 4.42Å; F408-L432 HydrophobicContact CD2-CD1 4.15Å; F408-L432 HydrophobicContact CD2-CD2 3.88Å; F408-L432 HydrophobicContact CD2-CG 4.26Å; F408-L432 HydrophobicContact CG-CD2 4.08Å; L414-L432 HydrophobicContact CD2-CD2 3.94Å; L417-L432 HydrophobicContact CD2-CD1 3.94Å; L417-L432 HydrophobicContact CD2-CD2 4.05Å; P428-L432 VanDerWaalsContact O-CD1 3.28Å; P428-L432 WeakPolarHBondContact O-CD1 3.26Å; T429-L432 PolarHBondContact O-N 3.42Å; L432-A434 PolarHBondContact O-N 2.99Å; L432-A434 VanDerWaalsContact O-N 3.16Å; L432-V435 HydrophobicContact CB-CG2 3.88Å; L432-V435 HydrophobicContact CD2-CG2 4.03Å; L432-V435 HydrophobicContact CG-CG2 4.45Å; L432-V435 WeakPolarHBondContact O-CG2 3.49Å; L432-V435 PolarHBondContact O-N 3.49Å; L432-L455 HydrophobicContact CB-CD2 3.67Å
433	S	86.8	Confident	90.6	Very high	64 Å²	64	33.6 Å²	33.6	45%	0.448	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-67.8	-15.5	-174.7	64.7	0	0	0	0	114.5	G431	G431-S433 PolarHBondContact O-N 2.83Å
434	A	90.6	Very high	90.1	Very high	12 Å²	12	34 Å²	34	10%	0.099	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-91.4	-12.7	177.7	0	0	0	0	0	114.5	T412 L414 L432 I436	T412-A434 VanDerWaalsContact O-CB 3.28Å; T412-A434 WeakPolarHBondContact O-CB 3.36Å; L414-A434 CarbonylContact O-C 3.36Å; L414-A434 WeakPolarHBondContact O-CB 3.49Å; L432-A434 PolarHBondContact O-N 2.99Å; L432-A434 VanDerWaalsContact O-N 3.16Å; A434-I436 PolarHBondContact O-N 3.31Å
435	V	93.3	Very high	89.8	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	24%	0.244	C	C	.	.			trans	-66.6	127.3	-168.6	178.5	0	0	0	0	111.4	L414 L432 Q437 L438 K457 L458	L414-V435 HydrophobicContact CB-CG2 4.46Å; L414-V435 HydrophobicContact CD2-CG2 4.19Å; L414-V435 HydrophobicContact CG-CG2 4.4Å; L414-V435 VanDerWaalsContact O-CA 3.26Å; L414-V435 WeakPolarHBondContact O-CA 3.23Å; L414-V435 WeakPolarHBondContact O-CG2 3.38Å; L414-V435 PolarHBondContact O-N 3.03Å; L414-V435 VanDerWaalsContact O-N 3.13Å; L432-V435 HydrophobicContact CB-CG2 3.88Å; L432-V435 HydrophobicContact CD2-CG2 4.03Å; L432-V435 HydrophobicContact CG-CG2 4.45Å; L432-V435 WeakPolarHBondContact O-CG2 3.49Å; L432-V435 PolarHBondContact O-N 3.49Å; V435-Q437 VanDerWaalsContact CG1-O 3.3Å; V435-Q437 WeakPolarHBondContact CG1-O 3.27Å; V435-L438 HydrophobicContact CG1-CB 4.05Å; V435-K457 CarbonylContact O-C 3.35Å; V435-K457 VanDerWaalsContact O-C 3.26Å; V435-L458 HydrophobicContact CG1-CD1 4.06Å; V435-L458 WeakPolarHBondContact O-CA 3.37Å; V435-L458 PolarHBondContact O-N 3.2Å; V435-L458 VanDerWaalsContact O-N 3.1Å
436	I	92.7	Very high	89.7	Confident	64 Å²	64	37.1 Å²	37.1	33%	0.328	23%	0.226	S	C	.	.	S	Bend	trans	-101.3	-38.4	178.8	-56	179.4	0	0	0	110.2	T415 A434 R459 S460	T415-I436 HydrophobicContact CG2-CD1 3.99Å; T415-I436 HydrophobicContact CG2-CG1 4.37Å; T415-I436 WeakPolarHBondContact O-CA 3.35Å; T415-I436 PolarHBondContact O-N 3.18Å; A434-I436 PolarHBondContact O-N 3.31Å; I436-R459 HydrophobicContact CG2-CB 3.96Å; I436-R459 HydrophobicContact CG2-CG 3.96Å; I436-R459 PolarHBondContact O-N 2.9Å; I436-S460 PolarHBondContact O-N 2.92Å
437	Q	94.6	Very high	89.3	Confident	62 Å²	62	36.2 Å²	36.2	29%	0.29	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.3	176.5	-174.1	175.8	45.9	0	0	111.2	T415 N416 L417 V435 K439 S460	T415-Q437 PolarHBondContact O-N 2.94Å; N416-Q437 WeakPolarHBondContact CA-O 3.33Å; N416-Q437 PolarHBondContact ND2-OE1 3.31Å; L417-Q437 PolarHBondContact N-O 3.41Å; V435-Q437 VanDerWaalsContact CG1-O 3.3Å; V435-Q437 WeakPolarHBondContact CG1-O 3.27Å; Q437-K439 HydrophobicContact CG-CG 4.44Å; Q437-S460 WeakPolarHBondContact CA-O 3.47Å
438	L	94.6	Very high	88.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.1	177.5	178.1	59.2	0	0	0	109.8	L417 I427 V435 L440 L455 L458 S460 I461 S462	L417-L438 HydrophobicContact CB-CD1 3.98Å; L417-L438 HydrophobicContact CD2-CD1 3.83Å; L417-L438 HydrophobicContact CG-CD1 3.9Å; L417-L438 CarbonylContact O-C 3.52Å; L417-L438 WeakPolarHBondContact O-CA 3.39Å; I427-L438 HydrophobicContact CD1-CD2 4.02Å; V435-L438 HydrophobicContact CG1-CB 4.05Å; L438-L440 HydrophobicContact CD1-CD2 4.14Å; L438-L440 HydrophobicContact CD1-CG 4.28Å; L438-L440 HydrophobicContact CD2-CD1 4.02Å; L438-L440 HydrophobicContact CG-CD1 4.04Å; L438-L440 HydrophobicContact CG-CD2 4.44Å; L438-L440 HydrophobicContact CG-CG 4.06Å; L438-L455 HydrophobicContact CD2-CD1 3.81Å; L438-L458 HydrophobicContact CB-CD1 3.73Å; L438-S460 PolarHBondContact N-O 3.24Å; L438-I461 HydrophobicContact CB-CG1 4.16Å; L438-I461 HydrophobicContact CD2-CD1 4.14Å; L438-I461 HydrophobicContact CD2-CG1 4.45Å; L438-I461 HydrophobicContact CG-CG1 4.33Å; L438-I461 CarbonylContact O-C 3.59Å; L438-I461 WeakPolarHBondContact O-CA 3.32Å; L438-I461 WeakPolarHBondContact O-CG1 3.36Å; L438-S462 PolarHBondContact O-N 3.26Å
439	K	95.4	Very high	88.4	Confident	65 Å²	65	43 Å²	43	28%	0.283	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.2	178.4	-58.9	162	-179.3	176.7	0	111	L417 D418 L419 S420 Q437 S462	L417-K439 PolarHBondContact O-N 3.33Å; D418-K439 HydrophobicContact CB-CB 4.45Å; D418-K439 HydrophobicContact CB-CD 3.96Å; D418-K439 WeakPolarHBondContact OD2-CD 3.26Å; D418-K439 WeakPolarHBondContact OD2-CE 3.35Å; D418-K439 IonicContact OD2-NZ 2.88Å; D418-K439 PolarHBondContact OD2-NZ 2.82Å; L419-K439 CarbonylContact C-O 3.26Å; L419-K439 WeakPolarHBondContact CA-O 3.4Å; L419-K439 PolarHBondContact N-O 3.37Å; S420-K439 PolarHBondContact N-O 2.87Å; Q437-K439 HydrophobicContact CG-CG 4.44Å; K439-S462 VanDerWaalsContact CA-OG 3.26Å; K439-S462 WeakPolarHBondContact CA-OG 3.39Å; K439-S462 WeakPolarHBondContact CB-OG 3.43Å
440	L	94.5	Very high	88.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.249	C	C	.	.			trans	-134.2	-4.8	-175.7	-56.3	167.3	0	0	0	112.3	L419 I427 L438 G442 N443 M446 L450 I461 S462 P464	L419-L440 HydrophobicContact CB-CD2 3.94Å; L419-L440 HydrophobicContact CD1-CD2 4.31Å; I427-L440 HydrophobicContact CD1-CD1 3.95Å; I427-L440 HydrophobicContact CD1-CD2 4.1Å; I427-L440 HydrophobicContact CG2-CD2 4.1Å; L438-L440 HydrophobicContact CD1-CD2 4.14Å; L438-L440 HydrophobicContact CD1-CG 4.28Å; L438-L440 HydrophobicContact CD2-CD1 4.02Å; L438-L440 HydrophobicContact CG-CD1 4.04Å; L438-L440 HydrophobicContact CG-CD2 4.44Å; L438-L440 HydrophobicContact CG-CG 4.06Å; L440-G442 PolarHBondContact O-N 2.88Å; L440-N443 PolarHBondContact O-N 3.2Å; L440-N443 PolarHBondContact O-ND2 2.86Å; L440-M446 HydrophobicContact CB-SD 4.29Å; L440-M446 HydrophobicContact CD1-SD 3.95Å; L440-M446 HydrophobicContact CD2-CE 4.16Å; L440-M446 HydrophobicContact CD2-SD 4.37Å; L440-M446 HydrophobicContact CG-SD 4.44Å; L440-L450 HydrophobicContact CD1-CD1 3.48Å; L440-L450 VanDerWaalsContact CD1-CD1 3.48Å; L440-I461 HydrophobicContact CD1-CD1 4.47Å; L440-S462 WeakPolarHBondContact CA-O 3.31Å; L440-S462 WeakPolarHBondContact CB-O 3.12Å; L440-S462 PolarHBondContact N-O 3.41Å; L440-S462 PolarHBondContact N-OG 3.08Å; L440-P464 WeakPolarHBondContact O-CD 3.48Å; L440-P464 WeakPolarHBondContact O-CG 3.37Å
441	S	90.5	Very high	88	Confident	46 Å²	46	42.2 Å²	42.2	32%	0.322	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	131.6	177.9	48.9	0	0	0	0	112.5	S420 M421 S462	S420-S441 CarbonylContact C-O 3.03Å; S420-S441 VanDerWaalsContact CA-O 3.28Å; S420-S441 WeakPolarHBondContact CA-O 3.32Å; S420-S441 VanDerWaalsContact CB-O 3.23Å; S420-S441 WeakPolarHBondContact CB-O 3.47Å; M421-S441 PolarHBondContact N-O 3.07Å; S441-S462 WeakPolarHBondContact CB-OG 3.46Å; S441-S462 PolarHBondContact N-OG 3.41Å; S441-S462 PolarHBondContact OG-OG 3.43Å
442	G	86.8	Confident	87.8	Confident	44 Å²	44	42.4 Å²	42.4	45%	0.454	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	18.7	-178.5	0	0	0	0	0	115.9	L440 P444	L440-G442 PolarHBondContact O-N 2.88Å; G442-P444 VanDerWaalsContact O-CD 3.27Å; G442-P444 WeakPolarHBondContact O-CD 3.3Å
443	N	91.1	Very high	87.4	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.288	C	S	.	.			trans	-102.7	87.4	167.3	-73.4	-91.2	0	0	0	110.8	L419 N422 L424 L440 Q445 M446 P464	L419-N443 PolarHBondContact O-ND2 3.31Å; N422-N443 WeakPolarHBondContact CA-OD1 3.4Å; N422-N443 WeakPolarHBondContact CB-OD1 3.48Å; N422-N443 PolarHBondContact O-OD1 3.08Å; N422-N443 VanDerWaalsContact O-OD1 3.06Å; L424-N443 HydrophobicContact CB-CB 4.44Å; L424-N443 VanDerWaalsContact CB-OD1 3.24Å; L424-N443 WeakPolarHBondContact CB-OD1 3.4Å; L424-N443 WeakPolarHBondContact CG-OD1 3.47Å; L424-N443 PolarHBondContact N-OD1 2.68Å; L440-N443 PolarHBondContact O-N 3.2Å; L440-N443 PolarHBondContact O-ND2 2.86Å; N443-Q445 PolarHBondContact O-N 2.97Å; N443-Q445 VanDerWaalsContact O-N 3.15Å; N443-M446 HydrophobicContact CB-CB 4.16Å; N443-M446 HydrophobicContact CB-CE 4.15Å; N443-M446 PolarHBondContact O-N 3.47Å; N443-M446 VanDerWaalsContact O-N 3.13Å; N443-P464 HydrophobicContact CB-CG 4.01Å; N443-P464 WeakPolarHBondContact O-CB 3.43Å; N443-P464 VanDerWaalsContact O-CG 3.25Å; N443-P464 WeakPolarHBondContact O-CG 3.28Å
444	P	83.9	Confident	87.2	Confident	67 Å²	67	52.3 Å²	52.3	44%	0.435	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-8.5	-169.6	29.4	-37.2	0	0	0	115.3	G442 Y465	G442-P444 VanDerWaalsContact O-CD 3.27Å; G442-P444 WeakPolarHBondContact O-CD 3.3Å; P444-Y465 PolarHBondContact O-OH 3.4Å; P444-Y465 VanDerWaalsContact O-OH 3.09Å
445	Q	86.5	Confident	87	Confident	121 Å²	121	52 Å²	52	57%	0.565	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-14.1	174.1	-55.4	-57.1	-25.8	0	0	112.5	N443 K447	N443-Q445 PolarHBondContact O-N 2.97Å; N443-Q445 VanDerWaalsContact O-N 3.15Å; Q445-K447 PolarHBondContact O-N 2.92Å
446	M	87.8	Confident	86.5	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.015	31%	0.311	C	S	.	.			trans	-85.9	76.5	-178.2	-169.7	-176.9	-54.8	0	0	111	L424 S425 I427 L440 N443 P464 Q468	L424-M446 HydrophobicContact CB-CE 3.57Å; L424-M446 HydrophobicContact CD1-CE 4.18Å; L424-M446 PolarHBondContact O-N 3.28Å; S425-M446 WeakPolarHBondContact O-CA 3.31Å; I427-M446 HydrophobicContact CG2-CE 3.86Å; L440-M446 HydrophobicContact CB-SD 4.29Å; L440-M446 HydrophobicContact CD1-SD 3.95Å; L440-M446 HydrophobicContact CD2-CE 4.16Å; L440-M446 HydrophobicContact CD2-SD 4.37Å; L440-M446 HydrophobicContact CG-SD 4.44Å; N443-M446 HydrophobicContact CB-CB 4.16Å; N443-M446 HydrophobicContact CB-CE 4.15Å; N443-M446 PolarHBondContact O-N 3.47Å; N443-M446 VanDerWaalsContact O-N 3.13Å; M446-P464 HydrophobicContact CB-CG 4.27Å; M446-Q468 PolarHBondContact O-NE2 3.44Å
447	K	82.8	Confident	86.3	Confident	71 Å²	71	59.7 Å²	59.7	31%	0.309	32%	0.322	S	S	.	.			trans	-88.3	-21	-178.8	-62.4	-179.2	-178.1	-178.2	0	114	Q445 Y465	Q445-K447 PolarHBondContact O-N 2.92Å; K447-Y465 HydrophobicContact CG-CE2 4.2Å
448	N	83.4	Confident	86	Confident	113 Å²	113	57.2 Å²	57.2	60%	0.604	31%	0.311	S	S	*	.	S	Bend	trans	-73.3	149.4	-176.6	-65.4	-14.5	0	0	0	111.7	Q468	N448-Q468 PolarHBondContact O-NE2 3.42Å
449	V	80.7	Confident	85.8	Confident	54 Å²	54	63.3 Å²	63.3	33%	0.327	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-79.3	141.5	176.3	-177.7	0	0	0	0	110.4	A471	V449-A471 HydrophobicContact CG1-CB 3.5Å
450	L	83.6	Confident	85.6	Confident	15 Å²	15	61.7 Å²	61.7	8%	0.079	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-88.4	134.6	-179.6	-70.8	168.6	0	0	0	111.5	I427 L440 A452 I461 F472	I427-L450 HydrophobicContact CD1-CD1 4.16Å; I427-L450 HydrophobicContact CD1-CD2 3.98Å; I427-L450 HydrophobicContact CG1-CD2 3.77Å; L440-L450 HydrophobicContact CD1-CD1 3.48Å; L440-L450 VanDerWaalsContact CD1-CD1 3.48Å; L450-A452 PolarHBondContact O-N 3.32Å; L450-A452 VanDerWaalsContact O-N 3.13Å; L450-I461 HydrophobicContact CD1-CD1 4.12Å; L450-F472 HydrophobicContact CB-CE2 4.24Å; L450-F472 HydrophobicContact CB-CZ 4.02Å
451	P	78.6	Confident	85.5	Confident	64 Å²	64	61.7 Å²	61.7	42%	0.416	33%	0.331	S	S	.	.			trans	-75.6	103.7	-179.8	29.7	-34	0	0	0	111.1	K453 N454	P451-K453 PolarHBondContact O-N 3.39Å; P451-N454 PolarHBondContact O-N 2.94Å
452	A	78.5	Confident	85.5	Confident	24 Å²	24	60.4 Å²	60.4	20%	0.198	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-52.9	-30.2	-179.4	0	0	0	0	0	114.1	L450 N454 L455 F472	L450-A452 PolarHBondContact O-N 3.32Å; L450-A452 VanDerWaalsContact O-N 3.13Å; A452-N454 PolarHBondContact O-N 2.88Å; A452-N454 VanDerWaalsContact O-N 3.08Å; A452-L455 CarbonylContact O-C 3.27Å; A452-L455 PolarHBondContact O-N 3.47Å; A452-F472 HydrophobicContact CB-CD1 3.66Å; A452-F472 HydrophobicContact CB-CE1 3.66Å; A452-F472 HydrophobicContact CB-CG 4.41Å; A452-F472 HydrophobicContact CB-CZ 4.39Å
453	K	79.1	Confident	85.7	Confident	201 Å²	201	58.3 Å²	58.3	87%	0.874	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-54.2	-26.3	175.1	-66	-174.7	178.5	-179	0	114.2	P451	P451-K453 PolarHBondContact O-N 3.39Å
454	N	81.4	Confident	85.5	Confident	71 Å²	71	59.5 Å²	59.5	38%	0.38	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-89	-9.3	-178.6	-62.4	10	0	0	0	112.9	T429 P451 A452 P456	T429-N454 HydrophobicContact CG2-CB 4.39Å; T429-N454 PolarHBondContact OG1-ND2 3.48Å; P451-N454 PolarHBondContact O-N 2.94Å; A452-N454 PolarHBondContact O-N 2.88Å; A452-N454 VanDerWaalsContact O-N 3.08Å; N454-P456 VanDerWaalsContact C-CD 3.42Å; N454-P456 WeakPolarHBondContact O-CD 3.17Å
455	L	86.4	Confident	85.5	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.026	29%	0.293	C	S	.	.			trans	-126.5	57.6	-175.4	-60.7	174.1	0	0	0	111.2	L432 L438 A452 K457 L458	L432-L455 HydrophobicContact CB-CD2 3.67Å; L438-L455 HydrophobicContact CD2-CD1 3.81Å; A452-L455 CarbonylContact O-C 3.27Å; A452-L455 PolarHBondContact O-N 3.47Å; L455-K457 VanDerWaalsContact C-N 3.27Å; L455-K457 PolarHBondContact O-N 3.03Å; L455-L458 HydrophobicContact CB-CB 4.2Å; L455-L458 HydrophobicContact CB-CD2 4.22Å; L455-L458 HydrophobicContact CD1-CD2 4.12Å; L455-L458 VanDerWaalsContact O-CB 3.29Å; L455-L458 WeakPolarHBondContact O-CB 3.45Å; L455-L458 PolarHBondContact O-N 3.39Å
456	P	84.4	Confident	85.3	Confident	96 Å²	96	52.1 Å²	52.1	62%	0.623	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-11.8	-166	30.9	-38.8	0	0	0	115.5	N454	N454-P456 VanDerWaalsContact C-CD 3.42Å; N454-P456 WeakPolarHBondContact O-CD 3.17Å
457	K	87.9	Confident	85.1	Confident	131 Å²	131	52.4 Å²	52.4	57%	0.57	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	3.1	177.8	-67	-171	-173.7	172.2	0	113.9	V435 L455	V435-K457 CarbonylContact O-C 3.35Å; V435-K457 VanDerWaalsContact O-C 3.26Å; L455-K457 VanDerWaalsContact C-N 3.27Å; L455-K457 PolarHBondContact O-N 3.03Å
458	L	88.8	Confident	85.2	Confident	11 Å²	11	49 Å²	49	6%	0.058	25%	0.254	C	S	.	.			trans	-61.1	143.7	-179.6	-162.9	67	0	0	0	110	V435 L438 L455 I461 F472 M503	V435-L458 HydrophobicContact CG1-CD1 4.06Å; V435-L458 WeakPolarHBondContact O-CA 3.37Å; V435-L458 PolarHBondContact O-N 3.2Å; V435-L458 VanDerWaalsContact O-N 3.1Å; L438-L458 HydrophobicContact CB-CD1 3.73Å; L455-L458 HydrophobicContact CB-CB 4.2Å; L455-L458 HydrophobicContact CB-CD2 4.22Å; L455-L458 HydrophobicContact CD1-CD2 4.12Å; L455-L458 VanDerWaalsContact O-CB 3.29Å; L455-L458 WeakPolarHBondContact O-CB 3.45Å; L455-L458 PolarHBondContact O-N 3.39Å; L458-I461 HydrophobicContact CD2-CB 4.02Å; L458-I461 HydrophobicContact CD2-CD1 4.15Å; L458-I461 HydrophobicContact CD2-CG1 4.45Å; L458-I461 HydrophobicContact CD2-CG2 4.42Å; L458-F472 HydrophobicContact CD2-CD1 4.03Å; L458-F472 HydrophobicContact CD2-CE1 3.58Å; L458-F472 HydrophobicContact CD2-CZ 4.16Å; L458-M503 HydrophobicContact CB-CE 4.12Å; L458-M503 HydrophobicContact CD2-CE 4.05Å; L458-M503 HydrophobicContact CG-CE 4.02Å
459	R	88.8	Confident	85.3	Confident	128 Å²	128	43.7 Å²	43.7	48%	0.483	23%	0.225	S	C	.	.			trans	-134.9	-30.5	176.7	-64	-174.7	-175	-178.6	-2.4	112.6	I436 M501 H504	I436-R459 HydrophobicContact CG2-CB 3.96Å; I436-R459 HydrophobicContact CG2-CG 3.96Å; I436-R459 PolarHBondContact O-N 2.9Å; R459-M501 PolarHBondContact NH2-SD 2.79Å; R459-M501 VanDerWaalsContact NH2-SD 3.44Å; R459-H504 PolarHBondContact O-N 2.85Å
460	S	91.7	Very high	85.4	Confident	30 Å²	30	42 Å²	42	21%	0.21	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.4	175.6	-179.9	0	0	0	0	110.2	I436 Q437 L438 H504	I436-S460 PolarHBondContact O-N 2.92Å; Q437-S460 WeakPolarHBondContact CA-O 3.47Å; L438-S460 PolarHBondContact N-O 3.24Å; S460-H504 VanDerWaalsContact CA-O 3.31Å; S460-H504 WeakPolarHBondContact CA-O 3.43Å
461	I	91.8	Very high	85.2	Confident	1 Å²	1	43 Å²	43	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	128.6	172.2	-169.2	-178.3	0	0	0	111.2	L438 L440 L450 L458 V463 F472 H504 C505 S506	L438-I461 HydrophobicContact CB-CG1 4.16Å; L438-I461 HydrophobicContact CD2-CD1 4.14Å; L438-I461 HydrophobicContact CD2-CG1 4.45Å; L438-I461 HydrophobicContact CG-CG1 4.33Å; L438-I461 CarbonylContact O-C 3.59Å; L438-I461 WeakPolarHBondContact O-CA 3.32Å; L438-I461 WeakPolarHBondContact O-CG1 3.36Å; L440-I461 HydrophobicContact CD1-CD1 4.47Å; L450-I461 HydrophobicContact CD1-CD1 4.12Å; L458-I461 HydrophobicContact CD2-CB 4.02Å; L458-I461 HydrophobicContact CD2-CD1 4.15Å; L458-I461 HydrophobicContact CD2-CG1 4.45Å; L458-I461 HydrophobicContact CD2-CG2 4.42Å; I461-V463 HydrophobicContact CD1-CG1 3.68Å; I461-V463 HydrophobicContact CG1-CG1 3.93Å; I461-F472 HydrophobicContact CD1-CE2 3.99Å; I461-F472 HydrophobicContact CD1-CZ 4.04Å; I461-H504 PolarHBondContact N-O 2.87Å; I461-C505 HydrophobicContact CG2-CB 3.93Å; I461-C505 WeakPolarHBondContact CG2-SG 3.46Å; I461-C505 WeakPolarHBondContact O-CA 3.45Å; I461-S506 PolarHBondContact O-N 3.37Å
462	S	92.1	Very high	85.1	Confident	18 Å²	18	40.5 Å²	40.5	13%	0.126	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.4	161	89.2	0	0	0	0	109	L438 K439 L440 S441 S506	L438-S462 PolarHBondContact O-N 3.26Å; K439-S462 VanDerWaalsContact CA-OG 3.26Å; K439-S462 WeakPolarHBondContact CA-OG 3.39Å; K439-S462 WeakPolarHBondContact CB-OG 3.43Å; L440-S462 WeakPolarHBondContact CA-O 3.31Å; L440-S462 WeakPolarHBondContact CB-O 3.12Å; L440-S462 PolarHBondContact N-O 3.41Å; L440-S462 PolarHBondContact N-OG 3.08Å; S441-S462 WeakPolarHBondContact CB-OG 3.46Å; S441-S462 PolarHBondContact N-OG 3.41Å; S441-S462 PolarHBondContact OG-OG 3.43Å; S462-S506 CarbonylContact C-O 3.52Å; S462-S506 VanDerWaalsContact CA-O 3.31Å; S462-S506 WeakPolarHBondContact CA-O 3.17Å
463	V	90.3	Very high	84.6	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.22	C	C	.	.			trans	-123	155.8	179.6	-74.3	0	0	0	0	109.6	I461 Y465 Q468 S506 P507	I461-V463 HydrophobicContact CD1-CG1 3.68Å; I461-V463 HydrophobicContact CG1-CG1 3.93Å; V463-Y465 WeakPolarHBondContact CG2-O 3.39Å; V463-Y465 PolarHBondContact O-N 3.35Å; V463-Q468 HydrophobicContact CB-CB 4.04Å; V463-Q468 HydrophobicContact CG1-CB 3.92Å; V463-Q468 HydrophobicContact CG2-CB 4.18Å; V463-S506 PolarHBondContact N-O 2.96Å; V463-P507 WeakPolarHBondContact O-CD 3.29Å
464	P	87	Confident	83.4	Confident	25 Å²	25	35.7 Å²	35.7	16%	0.162	20%	0.197	C	C	.	.	S	Bend	trans	-61.1	-28.7	171.3	-14.3	23.6	0	0	0	112.5	L440 N443 M446	L440-P464 WeakPolarHBondContact O-CD 3.48Å; L440-P464 WeakPolarHBondContact O-CG 3.37Å; N443-P464 HydrophobicContact CB-CG 4.01Å; N443-P464 WeakPolarHBondContact O-CB 3.43Å; N443-P464 VanDerWaalsContact O-CG 3.25Å; N443-P464 WeakPolarHBondContact O-CG 3.28Å; M446-P464 HydrophobicContact CB-CG 4.27Å
465	Y	84.3	Confident	81.6	Confident	29 Å²	29	35.8 Å²	35.8	11%	0.114	20%	0.203	C	C	.	.	S	Bend	trans	-142.8	140.7	-173.3	-51.8	-84.7	0	0	0	114.8	P444 K447 V463 Y467 Q468 M608	P444-Y465 PolarHBondContact O-OH 3.4Å; P444-Y465 VanDerWaalsContact O-OH 3.09Å; K447-Y465 HydrophobicContact CG-CE2 4.2Å; V463-Y465 WeakPolarHBondContact CG2-O 3.39Å; V463-Y465 PolarHBondContact O-N 3.35Å; Y465-Y467 VanDerWaalsContact C-N 3.31Å; Y465-Y467 WeakPolarHBondContact CB-OH 3.26Å; Y465-Y467 AromaticContact CD1-CE1 3.89Å; Y465-Y467 HydrophobicContact CD1-CE1 3.89Å; Y465-Y467 AromaticContact CD1-CZ 3.91Å; Y465-Y467 WeakPolarHBondContact CD1-OH 3.15Å; Y465-Y467 HydrophobicContact CD2-CE1 4.36Å; Y465-Y467 HydrophobicContact CD2-CE2 4.17Å; Y465-Y467 AromaticContact CD2-CZ 3.57Å; Y465-Y467 WeakPolarHBondContact CD2-OH 3.4Å; Y465-Y467 WeakPolarHBondContact CE2-OH 3.29Å; Y465-Y467 AromaticContact CG-CE1 3.63Å; Y465-Y467 HydrophobicContact CG-CE1 3.63Å; Y465-Y467 HydrophobicContact CG-CE2 4.13Å; Y465-Y467 AromaticContact CG-CZ 3.3Å; Y465-Y467 PolarHBondContact O-N 3.06Å; Y465-Q468 WeakPolarHBondContact O-CB 3.27Å; Y465-Q468 PolarHBondContact O-N 3.44Å; Y465-Q468 VanDerWaalsContact O-N 3.1Å; Y465-Q468 PolarHBondContact O-OE1 3.49Å; Y465-M608 HydrophobicContact CE1-CG 4.14Å; Y465-M608 HydrophobicContact CE1-SD 4.15Å
466	A	82.3	Confident	79.1	Confident	4 Å²	4	41.1 Å²	41.1	3%	0.033	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-60.6	-32	-173.3	0	0	0	0	0	115.1	Q468 C469 P507 K513	A466-Q468 PolarHBondContact O-N 3.45Å; A466-C469 WeakPolarHBondContact O-CB 3.34Å; A466-C469 PolarHBondContact O-N 3.44Å; A466-P507 VanDerWaalsContact CA-O 3.23Å; A466-P507 WeakPolarHBondContact CA-O 3.32Å; A466-P507 HydrophobicContact CB-CB 4.46Å; A466-P507 HydrophobicContact CB-CG 4.11Å; A466-P507 VanDerWaalsContact CB-O 3.3Å; A466-P507 WeakPolarHBondContact CB-O 3.23Å; A466-K513 HydrophobicContact CB-CB 4.34Å; A466-K513 HydrophobicContact CB-CD 3.93Å
467	Y	82.4	Confident	76.7	Confident	9 Å²	9	40.4 Å²	40.4	4%	0.035	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-63.5	-24.2	179	49.8	-103.4	0	0	0	112.9	Y465 C469 C470 A604	Y465-Y467 VanDerWaalsContact C-N 3.31Å; Y465-Y467 WeakPolarHBondContact CB-OH 3.26Å; Y465-Y467 AromaticContact CD1-CE1 3.89Å; Y465-Y467 HydrophobicContact CD1-CE1 3.89Å; Y465-Y467 AromaticContact CD1-CZ 3.91Å; Y465-Y467 WeakPolarHBondContact CD1-OH 3.15Å; Y465-Y467 HydrophobicContact CD2-CE1 4.36Å; Y465-Y467 HydrophobicContact CD2-CE2 4.17Å; Y465-Y467 AromaticContact CD2-CZ 3.57Å; Y465-Y467 WeakPolarHBondContact CD2-OH 3.4Å; Y465-Y467 WeakPolarHBondContact CE2-OH 3.29Å; Y465-Y467 AromaticContact CG-CE1 3.63Å; Y465-Y467 HydrophobicContact CG-CE1 3.63Å; Y465-Y467 HydrophobicContact CG-CE2 4.13Å; Y465-Y467 AromaticContact CG-CZ 3.3Å; Y465-Y467 PolarHBondContact O-N 3.06Å; Y467-C469 PolarHBondContact O-N 3.27Å; Y467-C470 VanDerWaalsContact O-CB 3.3Å; Y467-C470 WeakPolarHBondContact O-CB 3.34Å; Y467-C470 PolarHBondContact O-N 3.04Å; Y467-A604 HydrophobicContact CD1-CB 4.43Å; Y467-A604 HydrophobicContact CD2-CB 3.84Å; Y467-A604 HydrophobicContact CE1-CB 3.85Å; Y467-A604 HydrophobicContact CE2-CB 3.2Å; Y467-A604 HydrophobicContact CG-CB 4.42Å; Y467-A604 VanDerWaalsContact OH-CA 3.29Å; Y467-A604 WeakPolarHBondContact OH-CA 3.22Å; Y467-A604 VanDerWaalsContact OH-CB 3.25Å; Y467-A604 WeakPolarHBondContact OH-CB 3.41Å
468	Q	84.9	Confident	74	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-68.9	-22.9	175.1	-66.3	164.6	-58.2	0	0	112.1	M446 N448 V463 Y465 A466 C470 F472	M446-Q468 PolarHBondContact O-NE2 3.44Å; N448-Q468 PolarHBondContact O-NE2 3.42Å; V463-Q468 HydrophobicContact CB-CB 4.04Å; V463-Q468 HydrophobicContact CG1-CB 3.92Å; V463-Q468 HydrophobicContact CG2-CB 4.18Å; Y465-Q468 WeakPolarHBondContact O-CB 3.27Å; Y465-Q468 PolarHBondContact O-N 3.44Å; Y465-Q468 VanDerWaalsContact O-N 3.1Å; Y465-Q468 PolarHBondContact O-OE1 3.49Å; A466-Q468 PolarHBondContact O-N 3.45Å; Q468-C470 VanDerWaalsContact C-N 3.28Å; Q468-C470 PolarHBondContact O-N 2.6Å; Q468-F472 WeakPolarHBondContact O-CD2 3.25Å
469	C	86.8	Confident	71.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-66.8	-26.8	173	-63.7	0	0	0	0	113.5	A466 Y467 A471 F472 I473 C505 P507 P509	A466-C469 WeakPolarHBondContact O-CB 3.34Å; A466-C469 PolarHBondContact O-N 3.44Å; Y467-C469 PolarHBondContact O-N 3.27Å; C469-A471 PolarHBondContact O-N 3.32Å; C469-F472 PolarHBondContact O-N 2.77Å; C469-I473 HydrophobicContact CB-CD1 3.8Å; C469-I473 PolarHBondContact O-N 2.87Å; C469-I473 VanDerWaalsContact O-N 3.16Å; C469-C505 WeakPolarHBondContact CA-SG 3.29Å; C469-C505 HydrophobicContact CB-CB 3.59Å; C469-C505 WeakPolarHBondContact CB-SG 3.47Å; C469-C505 WeakPolarHBondContact SG-CB 3.42Å; C469-C505 CovalentContact SG-SG 2.02Å; C469-C505 PolarHBondContact SG-SG 2.81Å; C469-P507 PolarHBondContact SG-O 2.86Å; C469-P509 HydrophobicContact CB-CG 3.78Å
470	C	82.4	Confident	68.4	Low	18 Å²	18	47.8 Å²	47.8	12%	0.122	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-34.2	-173.8	-67.1	0	0	0	0	112.9	Y467 Q468 F472 I473 G474 C515 A600	Y467-C470 VanDerWaalsContact O-CB 3.3Å; Y467-C470 WeakPolarHBondContact O-CB 3.34Å; Y467-C470 PolarHBondContact O-N 3.04Å; Q468-C470 VanDerWaalsContact C-N 3.28Å; Q468-C470 PolarHBondContact O-N 2.6Å; C470-F472 PolarHBondContact O-N 2.63Å; C470-I473 PolarHBondContact O-N 2.88Å; C470-G474 PolarHBondContact O-N 2.79Å; C470-C515 HydrophobicContact CB-CB 3.6Å; C470-C515 WeakPolarHBondContact CB-SG 3.11Å; C470-C515 WeakPolarHBondContact SG-CA 3.37Å; C470-C515 WeakPolarHBondContact SG-CB 3.41Å; C470-C515 CovalentContact SG-SG 2.04Å; C470-C515 PolarHBondContact SG-SG 2.04Å; C470-A600 HydrophobicContact CB-CB 3.67Å
471	A	78.4	Confident	65.3	Low	38 Å²	38	51.1 Å²	51.1	31%	0.314	30%	0.298	S	S	.	.	H	α-helix	trans	-66.8	-16.7	176.3	0	0	0	0	0	114.6	V449 C469	V449-A471 HydrophobicContact CG1-CB 3.5Å; C469-A471 PolarHBondContact O-N 3.32Å
472	F	77.5	Confident	62.3	Low	11 Å²	11	54.8 Å²	54.8	5%	0.048	33%	0.329	C	S	.	.	H	α-helix	trans	-104.1	-24.6	179.8	-61.1	-84.9	0	0	0	112.8	L450 A452 L458 I461 Q468 C469 C470 M503	L450-F472 HydrophobicContact CB-CE2 4.24Å; L450-F472 HydrophobicContact CB-CZ 4.02Å; A452-F472 HydrophobicContact CB-CD1 3.66Å; A452-F472 HydrophobicContact CB-CE1 3.66Å; A452-F472 HydrophobicContact CB-CG 4.41Å; A452-F472 HydrophobicContact CB-CZ 4.39Å; L458-F472 HydrophobicContact CD2-CD1 4.03Å; L458-F472 HydrophobicContact CD2-CE1 3.58Å; L458-F472 HydrophobicContact CD2-CZ 4.16Å; I461-F472 HydrophobicContact CD1-CE2 3.99Å; I461-F472 HydrophobicContact CD1-CZ 4.04Å; Q468-F472 WeakPolarHBondContact O-CD2 3.25Å; C469-F472 PolarHBondContact O-N 2.77Å; C470-F472 PolarHBondContact O-N 2.63Å; F472-M503 HydrophobicContact CB-CE 4Å; F472-M503 HydrophobicContact CD1-CE 3.88Å; F472-M503 HydrophobicContact CG-CE 4.22Å
473	I	69	Low	59.4	Low	84 Å²	84	62.4 Å²	62.4	43%	0.431	36%	0.362	S	S	.	.	H	α-helix	trans	-82.1	-25	-178.1	-69.4	162.8	0	0	0	112	C469 C470 C475 P509	C469-I473 HydrophobicContact CB-CD1 3.8Å; C469-I473 PolarHBondContact O-N 2.87Å; C469-I473 VanDerWaalsContact O-N 3.16Å; C470-I473 PolarHBondContact O-N 2.88Å; I473-C475 VanDerWaalsContact C-N 3.32Å; I473-C475 PolarHBondContact O-N 2.77Å; I473-P509 HydrophobicContact CD1-CG 3.67Å
474	G	53.4	Low	56.5	Low	39 Å²	39	71.2 Å²	71.2	40%	0.402	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	0.5	-177.8	0	0	0	0	0	116.9	C470 S477	C470-G474 PolarHBondContact O-N 2.79Å; G474-S477 PolarHBondContact O-OG 3.06Å
475	C	42.2	Very low	53.8	Low	74 Å²	74	75.9 Å²	75.9	50%	0.5	43%	0.432	S	S	.	.	H	α-helix	trans	-78.1	-21.9	-170.2	-71.9	0	0	0	0	115.4	I473 S477	I473-C475 VanDerWaalsContact C-N 3.32Å; I473-C475 PolarHBondContact O-N 2.77Å; C475-S477 PolarHBondContact O-N 3.33Å
476	D	35.5	Very low	51.1	Low	117 Å²	117	82.1 Å²	82.1	63%	0.626	47%	0.467	S	S	*	.	H	α-helix	trans	-81.5	-8.6	-176.4	-74.6	-29.7	0	0	0	114.7
477	S	32.8	Very low	48.6	Very low	81 Å²	81	88.1 Å²	88.1	57%	0.566	50%	0.503	S	S	*	.	H	α-helix	trans	-91.8	-28.4	-179.6	62	0	0	0	0	113.8	G474 C475	G474-S477 PolarHBondContact O-OG 3.06Å; C475-S477 PolarHBondContact O-N 3.33Å
478	V	31.8	Very low	46.1	Very low	96 Å²	96	97 Å²	97	58%	0.582	54%	0.542	S	S	*	.	H	α-helix	trans	-84.1	-28	-170.8	-176.6	0	0	0	0	112.6	R480 S481	V478-R480 VanDerWaalsContact C-N 3.28Å; V478-R480 PolarHBondContact O-N 3.1Å; V478-S481 PolarHBondContact O-OG 3.13Å
479	T	29.4	Very low	43.4	Very low	104 Å²	104	106.6 Å²	106.6	64%	0.638	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-14.5	177.5	46.3	0	0	0	0	113.7
480	R	30.1	Very low	40.4	Very low	224 Å²	224	111.3 Å²	111.3	85%	0.845	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-4.2	178.6	-83.2	-177.6	166.2	161.1	-1.1	115.2	V478	V478-R480 VanDerWaalsContact C-N 3.28Å; V478-R480 PolarHBondContact O-N 3.1Å
481	S	27.8	Very low	37.8	Very low	100 Å²	100	116.7 Å²	116.7	70%	0.699	65%	0.648	S	S	*	*	S	Bend	trans	-123.3	1.5	-173.1	50.8	0	0	0	0	114.8	V478	V478-S481 PolarHBondContact O-OG 3.13Å
482	A	28.9	Very low	35.5	Very low	79 Å²	79	118.8 Å²	118.8	65%	0.653	67%	0.674	S	S	*	*	S	Bend	trans	-113.9	-18.5	-177.4	0	0	0	0	0	115.3
483	E	30.6	Very low	33.1	Very low	178 Å²	178	124.6 Å²	124.6	83%	0.832	71%	0.71	S	S	*	*	S	Bend	trans	-118.8	65.3	-178.4	-67.1	-169.3	158.2	0	0	111.9
484	Q	28.8	Very low	31.2	Very low	186 Å²	186	129.3 Å²	129.3	87%	0.869	73%	0.73	S	S	*	*			trans	-139.9	34.4	170	-138.9	172.1	56.8	0	0	115.4
485	T	30.8	Very low	30	Very low	123 Å²	123	131.6 Å²	131.6	76%	0.755	75%	0.754	S	S	*	*	S	Bend	trans	-139.7	131.7	158.7	28.8	0	0	0	0	108.6
486	D	28.3	Very low	29.2	Very low	160 Å²	160	131.4 Å²	131.4	86%	0.856	76%	0.764	S	S	*	*			trans	58.1	118.8	-174.8	-55.1	-38	0	0	0	114.2
487	V	28.4	Very low	28.9	Very low	129 Å²	129	134.6 Å²	134.6	78%	0.782	78%	0.775	S	S	*	*			cis	-146.8	152.6	44.6	162.6	0	0	0	0	111.7
488	K	29.6	Very low	28.7	Very low	197 Å²	197	140 Å²	140	86%	0.857	79%	0.791	S	S	*	*			trans	-107.2	143.2	165.8	-88.7	-178.9	175.2	173.4	0	111.8
489	K	28.3	Very low	28.7	Very low	201 Å²	201	140 Å²	140	87%	0.874	79%	0.792	S	S	*	*			trans	75.1	139.4	-172.2	-51.3	174	179.2	177.7	0	111.9
490	S	25.1	Very low	29	Very low	98 Å²	98	139.3 Å²	139.3	69%	0.685	79%	0.791	S	S	*	*			cis	-148.7	169.2	22	56.6	0	0	0	0	114.1
491	T	28.1	Very low	29.9	Very low	131 Å²	131	133.9 Å²	133.9	80%	0.804	78%	0.777	S	S	*	*			trans	48.3	105.5	153	49	0	0	0	0	118.2
492	G	29.7	Very low	31.6	Very low	82 Å²	82	136.1 Å²	136.1	85%	0.845	78%	0.779	S	S	*	*			trans	-80.8	155.3	175.7	0	0	0	0	0	114.8
493	V	27.2	Very low	34	Very low	133 Å²	133	134.8 Å²	134.8	81%	0.806	76%	0.76	S	S	*	*			trans	-134.9	145.3	163	175.9	0	0	0	0	107.1
494	E	29.1	Very low	36.6	Very low	184 Å²	184	132.2 Å²	132.2	86%	0.86	75%	0.748	S	S	*	*			trans	10.5	124.4	167.9	-62	173.9	162	0	0	119.6	G496	E494-G496 PolarHBondContact O-N 3.39Å; E494-G496 VanDerWaalsContact O-N 3.11Å
495	G	27.8	Very low	39.4	Very low	87 Å²	87	123.8 Å²	123.8	90%	0.897	71%	0.71	S	S	*	*			trans	-74.1	98.1	172.6	0	0	0	0	0	112.3
496	G	25	Very low	42	Very low	70 Å²	70	120.7 Å²	120.7	72%	0.722	69%	0.693	S	S	*	*			trans	-74.5	127.2	159.5	0	0	0	0	0	110.2	E494 Q498	E494-G496 PolarHBondContact O-N 3.39Å; E494-G496 VanDerWaalsContact O-N 3.11Å; G496-Q498 PolarHBondContact O-N 2.91Å
497	E	29.1	Very low	44.7	Very low	183 Å²	183	116 Å²	116	86%	0.855	67%	0.671	S	S	*	*			trans	-64	103.8	169.5	-69.9	-173	125.6	0	0	109.3	V499	E497-V499 PolarHBondContact O-N 3.36Å
498	Q	28.1	Very low	47	Very low	194 Å²	194	113.9 Å²	113.9	91%	0.907	66%	0.662	S	S	*	*			trans	-76.8	72.5	177.5	-166.3	170.9	6.3	0	0	109.9	G496 S500	G496-Q498 PolarHBondContact O-N 2.91Å; Q498-S500 PolarHBondContact O-N 2.91Å
499	V	32.2	Very low	49.4	Very low	97 Å²	97	105.9 Å²	105.9	59%	0.588	63%	0.63	S	S	*	*			trans	-54.8	110.7	172	178.1	0	0	0	0	108.2	E497 M501	E497-V499 PolarHBondContact O-N 3.36Å; V499-M501 HydrophobicContact CG1-CG 4.33Å; V499-M501 PolarHBondContact O-N 2.93Å
500	S	35.5	Very low	51.5	Low	89 Å²	89	98.2 Å²	98.2	62%	0.622	61%	0.608	S	S	*	*			trans	-65.8	94.6	172.2	52.9	0	0	0	0	108.7	Q498 I502	Q498-S500 PolarHBondContact O-N 2.91Å; S500-I502 PolarHBondContact O-N 3.46Å
501	M	49.8	Very low	53.6	Low	111 Å²	111	93.6 Å²	93.6	55%	0.547	58%	0.576	S	S	.	*			trans	-72.5	96.9	-175.5	-68.1	-171.1	-179	0	0	110.2	R459 V499 M503	R459-M501 PolarHBondContact NH2-SD 2.79Å; R459-M501 VanDerWaalsContact NH2-SD 3.44Å; V499-M501 HydrophobicContact CG1-CG 4.33Å; V499-M501 PolarHBondContact O-N 2.93Å; M501-M503 PolarHBondContact O-N 3.1Å
502	I	64.3	Low	55.6	Low	146 Å²	146	89.6 Å²	89.6	75%	0.749	55%	0.548	S	S	*	.			trans	-56.8	124	-177.1	-58.7	171.7	0	0	0	110.5	S500 H504	S500-I502 PolarHBondContact O-N 3.46Å; I502-H504 PolarHBondContact O-N 2.94Å
503	M	78.8	Confident	57.9	Low	52 Å²	52	88.2 Å²	88.2	26%	0.256	52%	0.518	S	S	.	.			trans	-65.2	113.4	172.6	-77.4	-63.9	-71.5	0	0	111	L458 F472 M501 C505	L458-M503 HydrophobicContact CB-CE 4.12Å; L458-M503 HydrophobicContact CD2-CE 4.05Å; L458-M503 HydrophobicContact CG-CE 4.02Å; F472-M503 HydrophobicContact CB-CE 4Å; F472-M503 HydrophobicContact CD1-CE 3.88Å; F472-M503 HydrophobicContact CG-CE 4.22Å; M501-M503 PolarHBondContact O-N 3.1Å; M503-C505 PolarHBondContact O-N 3.21Å
504	H	85.1	Confident	60.4	Low	124 Å²	124	82.8 Å²	82.8	57%	0.574	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	98.6	176.9	-171.7	72.8	0	0	0	111.2	R459 S460 I461 I502	R459-H504 PolarHBondContact O-N 2.85Å; S460-H504 VanDerWaalsContact CA-O 3.31Å; S460-H504 WeakPolarHBondContact CA-O 3.43Å; I461-H504 PolarHBondContact N-O 2.87Å; I502-H504 PolarHBondContact O-N 2.94Å
505	C	87.8	Confident	62.9	Low	9 Å²	9	75.9 Å²	75.9	6%	0.061	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.7	176.3	-165	0	0	0	0	112.4	I461 C469 M503	I461-C505 HydrophobicContact CG2-CB 3.93Å; I461-C505 WeakPolarHBondContact CG2-SG 3.46Å; I461-C505 WeakPolarHBondContact O-CA 3.45Å; C469-C505 WeakPolarHBondContact CA-SG 3.29Å; C469-C505 HydrophobicContact CB-CB 3.59Å; C469-C505 WeakPolarHBondContact CB-SG 3.47Å; C469-C505 WeakPolarHBondContact SG-CB 3.42Å; C469-C505 CovalentContact SG-SG 2.02Å; C469-C505 PolarHBondContact SG-SG 2.81Å; M503-C505 PolarHBondContact O-N 3.21Å
506	S	85.1	Confident	65.4	Low	58 Å²	58	77.8 Å²	77.8	41%	0.406	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.8	-179.3	-174.3	0	0	0	0	112.3	I461 S462 V463	I461-S506 PolarHBondContact O-N 3.37Å; S462-S506 CarbonylContact C-O 3.52Å; S462-S506 VanDerWaalsContact CA-O 3.31Å; S462-S506 WeakPolarHBondContact CA-O 3.17Å; V463-S506 PolarHBondContact N-O 2.96Å
507	P	84.1	Confident	68.2	Low	60 Å²	60	76.8 Å²	76.8	39%	0.39	42%	0.419	S	S	.	.	S	Bend	cis	-70	140.1	-6.4	29.1	-34.1	0	0	0	111.5	V463 A466 C469	V463-P507 WeakPolarHBondContact O-CD 3.29Å; A466-P507 VanDerWaalsContact CA-O 3.23Å; A466-P507 WeakPolarHBondContact CA-O 3.32Å; A466-P507 HydrophobicContact CB-CB 4.46Å; A466-P507 HydrophobicContact CB-CG 4.11Å; A466-P507 VanDerWaalsContact CB-O 3.3Å; A466-P507 WeakPolarHBondContact CB-O 3.23Å; C469-P507 PolarHBondContact SG-O 2.86Å
508	S	76.7	Confident	70.7	Confident	86 Å²	86	68.1 Å²	68.1	60%	0.601	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-71.5	149.5	-178	58	0	0	0	0	112.8
509	P	79.9	Confident	73.2	Confident	29 Å²	29	58.9 Å²	58.9	19%	0.188	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-59.5	166.6	164.6	-22.2	34.8	0	0	0	112.5	C469 I473 K513	C469-P509 HydrophobicContact CB-CG 3.78Å; I473-P509 HydrophobicContact CD1-CG 3.67Å; P509-K513 WeakPolarHBondContact CB-O 3.35Å
510	G	73.1	Confident	75.4	Confident	39 Å²	39	55.5 Å²	55.5	40%	0.402	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-180	-170.2	176	0	0	0	0	0	111.5	F512 K513	G510-F512 VanDerWaalsContact C-N 3.32Å; G510-F512 PolarHBondContact O-N 3.39Å; G510-F512 VanDerWaalsContact O-N 3.13Å; G510-K513 PolarHBondContact N-O 3Å; G510-K513 CarbonylContact O-C 3.36Å; G510-K513 WeakPolarHBondContact O-CA 3.42Å; G510-K513 PolarHBondContact O-N 3.47Å; G510-K513 VanDerWaalsContact O-O 3.09Å
511	A	68.3	Low	77.7	Confident	2 Å²	2	55.6 Å²	55.6	2%	0.017	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.6	-55.4	-176.2	0	0	0	0	0	114.4	K513 P787 E788 K791	A511-K513 VanDerWaalsContact C-N 3.33Å; A511-K513 PolarHBondContact O-N 3.5Å; A511-P787 VanDerWaalsContact CB-C 3.44Å; A511-P787 HydrophobicContact CB-CB 3.84Å; A511-P787 HydrophobicContact CB-CG 4.22Å; A511-P787 WeakPolarHBondContact CB-O 3.32Å; A511-E788 VanDerWaalsContact CA-CD 3.5Å; A511-E788 WeakPolarHBondContact CA-OE1 3.3Å; A511-E788 HydrophobicContact CB-CB 4.43Å; A511-E788 HydrophobicContact CB-CG 3.99Å; A511-E788 VanDerWaalsContact CB-OE1 3.22Å; A511-E788 WeakPolarHBondContact CB-OE1 3.31Å; A511-E788 VanDerWaalsContact CB-OE2 3.25Å; A511-E788 WeakPolarHBondContact CB-OE2 3.43Å; A511-E788 PolarHBondContact N-OE1 2.88Å; A511-K791 HydrophobicContact CB-CB 4.33Å; A511-K791 HydrophobicContact CB-CD 4.13Å; A511-K791 WeakPolarHBondContact O-CD 3.41Å; A511-K791 WeakPolarHBondContact O-CE 3.37Å; A511-K791 PolarHBondContact O-NZ 2.91Å
512	F	71.9	Confident	79.3	Confident	47 Å²	47	56.8 Å²	56.8	21%	0.206	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.7	-178.3	-66.1	-77.2	0	0	0	113.6	G510 P698 L699 P787 A790 K791	G510-F512 VanDerWaalsContact C-N 3.32Å; G510-F512 PolarHBondContact O-N 3.39Å; G510-F512 VanDerWaalsContact O-N 3.13Å; F512-P698 WeakPolarHBondContact O-CD 3.37Å; F512-P698 WeakPolarHBondContact O-CG 3.48Å; F512-L699 HydrophobicContact CD1-CD1 4.08Å; F512-L699 HydrophobicContact CE1-CD1 4Å; F512-P787 HydrophobicContact CD2-CB 4.19Å; F512-P787 HydrophobicContact CE2-CB 4.11Å; F512-P787 WeakPolarHBondContact CE2-O 3.35Å; F512-A790 HydrophobicContact CE2-CB 4.18Å; F512-A790 HydrophobicContact CZ-CB 4.07Å; F512-K791 HydrophobicContact CD1-CB 4.34Å; F512-K791 HydrophobicContact CE1-CB 3.82Å; F512-K791 HydrophobicContact CE1-CG 4.4Å; F512-K791 HydrophobicContact CE2-CB 4.35Å; F512-K791 HydrophobicContact CZ-CB 3.84Å
513	K	76.8	Confident	80.2	Confident	52 Å²	52	56.5 Å²	56.5	23%	0.226	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-134.9	70.8	170.8	-63	-164.2	-177.7	-126.4	0	109.6	A466 P509 G510 A511 E607 S696	A466-K513 HydrophobicContact CB-CB 4.34Å; A466-K513 HydrophobicContact CB-CD 3.93Å; P509-K513 WeakPolarHBondContact CB-O 3.35Å; G510-K513 PolarHBondContact N-O 3Å; G510-K513 CarbonylContact O-C 3.36Å; G510-K513 WeakPolarHBondContact O-CA 3.42Å; G510-K513 PolarHBondContact O-N 3.47Å; G510-K513 VanDerWaalsContact O-O 3.09Å; A511-K513 VanDerWaalsContact C-N 3.33Å; A511-K513 PolarHBondContact O-N 3.5Å; K513-E607 VanDerWaalsContact CE-OE1 3.24Å; K513-E607 WeakPolarHBondContact CE-OE1 3.35Å; K513-E607 IonicContact NZ-OE1 2.65Å; K513-E607 PolarHBondContact NZ-OE1 3.21Å; K513-E607 IonicContact NZ-OE2 2.72Å; K513-E607 PolarHBondContact NZ-OE2 3.48Å; K513-S696 WeakPolarHBondContact CE-O 3.27Å; K513-S696 PolarHBondContact NZ-O 3.36Å
514	P	80	Confident	80.5	Confident	20 Å²	20	55 Å²	55	13%	0.13	30%	0.303	C	S	.	.			trans	-77.6	156.2	-174.9	33.5	-35.7	0	0	0	111.6	H517 F599	P514-H517 VanDerWaalsContact CB-O 3.27Å; P514-H517 WeakPolarHBondContact CB-O 3.37Å; P514-H517 VanDerWaalsContact CG-O 3.23Å; P514-H517 WeakPolarHBondContact CG-O 3.33Å; P514-F599 HydrophobicContact CG-CD1 4.21Å; P514-F599 WeakPolarHBondContact O-CD1 3.43Å
515	C	80.6	Confident	80.7	Confident	38 Å²	38	49.2 Å²	49.2	26%	0.257	28%	0.275	S	S	.	.	S	Bend	trans	-86	-47.8	-179.5	-63.8	0	0	0	0	113.7	C470 F599 A600	C470-C515 HydrophobicContact CB-CB 3.6Å; C470-C515 WeakPolarHBondContact CB-SG 3.11Å; C470-C515 WeakPolarHBondContact SG-CA 3.37Å; C470-C515 WeakPolarHBondContact SG-CB 3.41Å; C470-C515 CovalentContact SG-SG 2.04Å; C470-C515 PolarHBondContact SG-SG 2.04Å; C515-F599 PolarHBondContact O-N 3.25Å; C515-A600 WeakPolarHBondContact O-CB 3.31Å; C515-A600 PolarHBondContact O-N 3.02Å
516	E	81	Confident	80.8	Confident	128 Å²	128	53.7 Å²	53.7	60%	0.598	30%	0.299	S	S	*	.	S	Bend	trans	-101.3	-37.5	-169.9	-59.1	177.9	156.3	0	0	113.4	G597	E516-G597 CarbonylContact O-C 3.52Å; E516-G597 WeakPolarHBondContact O-CA 3.19Å; E516-G597 PolarHBondContact O-N 2.89Å
517	H	83.2	Confident	81	Confident	48 Å²	48	53.4 Å²	53.4	22%	0.222	29%	0.294	C	S	.	.			trans	-140.8	123.4	-164.1	-72.5	-12.5	0	0	0	111.6	P514 R525 W596	P514-H517 VanDerWaalsContact CB-O 3.27Å; P514-H517 WeakPolarHBondContact CB-O 3.37Å; P514-H517 VanDerWaalsContact CG-O 3.23Å; P514-H517 WeakPolarHBondContact CG-O 3.33Å; H517-R525 PolarHBondContact CD2-NH1 3.12Å; H517-R525 VanDerWaalsContact CG-NH2 3.28Å; H517-R525 PolarHBondContact ND1-NH2 2.9Å; H517-R525 PolarHBondContact NE2-NH1 3Å; H517-W596 AromaticContact CE1-CE2 3.8Å; H517-W596 AromaticContact CE1-NE1 3.7Å
518	L	81.5	Confident	81.3	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.277	C	S	.	.	S	Bend	trans	-68.2	-52.4	-178.5	177	60.8	0	0	0	111.3	L591 D592 F599 P698 L699 K791	L518-L591 HydrophobicContact CD2-CB 4.23Å; L518-L591 HydrophobicContact CD2-CD2 3.63Å; L518-L591 HydrophobicContact CD2-CG 3.85Å; L518-D592 HydrophobicContact CB-CB 4.08Å; L518-D592 WeakPolarHBondContact CB-OD1 3.07Å; L518-D592 HydrophobicContact CD2-CB 4.4Å; L518-D592 PolarHBondContact N-OD1 2.94Å; L518-D592 VanDerWaalsContact N-OD1 3.08Å; L518-F599 HydrophobicContact CB-CD2 4.03Å; L518-F599 HydrophobicContact CB-CE2 4.22Å; L518-F599 HydrophobicContact CB-CG 4.47Å; L518-F599 HydrophobicContact CD1-CE1 4.39Å; L518-F599 HydrophobicContact CD1-CE2 4.1Å; L518-F599 HydrophobicContact CD1-CZ 3.99Å; L518-F599 HydrophobicContact CD2-CE2 4.2Å; L518-F599 HydrophobicContact CG-CE2 4.41Å; L518-P698 HydrophobicContact CD1-CB 3.9Å; L518-P698 HydrophobicContact CD1-CG 3.67Å; L518-L699 HydrophobicContact CD1-CD2 4.23Å; L518-K791 WeakPolarHBondContact O-CE 3.33Å; L518-K791 PolarHBondContact O-NZ 2.97Å
519	L	80.7	Confident	81.9	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.266	C	S	.	.	S	Bend	trans	-83.6	-16.7	178.5	-63.4	177.4	0	0	0	113.2	N521 R525 V528 T589 D592 L795	L519-N521 PolarHBondContact O-N 3.15Å; L519-R525 HydrophobicContact CB-CG 3.74Å; L519-R525 HydrophobicContact CD1-CG 4.13Å; L519-V528 HydrophobicContact CD1-CG1 4.36Å; L519-T589 HydrophobicContact CD1-CG2 4.49Å; L519-D592 HydrophobicContact CB-CB 4.46Å; L519-D592 HydrophobicContact CD1-CB 3.85Å; L519-D592 HydrophobicContact CG-CB 3.81Å; L519-D592 PolarHBondContact N-OD1 2.88Å; L519-L795 HydrophobicContact CD2-CD1 3.85Å; L519-L795 HydrophobicContact CD2-CD2 3.72Å; L519-L795 HydrophobicContact CD2-CG 4.44Å
520	G	80.2	Confident	82.4	Confident	26 Å²	26	56.1 Å²	56.1	27%	0.268	28%	0.284	S	S	.	.			trans	72.2	-107.2	176.9	0	0	0	0	0	113.4	R525	G520-R525 PolarHBondContact O-NH1 2.92Å; G520-R525 VanDerWaalsContact O-NH1 3.09Å
521	N	82.7	Confident	83.3	Confident	91 Å²	91	54.3 Å²	54.3	49%	0.487	27%	0.265	S	S	.	.	S	Bend	trans	-69.1	138.2	-170.6	-174.4	-12.9	0	0	0	112.2	L519 M523 I524 R525	L519-N521 PolarHBondContact O-N 3.15Å; N521-M523 PolarHBondContact O-N 3.04Å; N521-M523 PolarHBondContact OD1-N 2.94Å; N521-I524 HydrophobicContact CB-CD1 4.28Å; N521-I524 HydrophobicContact CB-CG1 4.33Å; N521-I524 WeakPolarHBondContact O-CB 3.42Å; N521-I524 PolarHBondContact O-N 3.05Å; N521-R525 PolarHBondContact O-N 3.19Å
522	W	83.8	Confident	84.5	Confident	136 Å²	136	54.9 Å²	54.9	52%	0.515	27%	0.269	S	S	.	.	H	α-helix	trans	-50.4	-34.9	171.3	-82.8	108.6	0	0	0	114.2	R525 L526 W529 W596	W522-R525 PolarHBondContact O-N 3.19Å; W522-L526 WeakPolarHBondContact O-CB 3.45Å; W522-L526 WeakPolarHBondContact O-CG 3.12Å; W522-L526 PolarHBondContact O-N 3.14Å; W522-W529 HydrophobicContact CZ3-CH2 4.01Å; W522-W529 HydrophobicContact CZ3-CZ3 4.4Å; W522-W596 AromaticContact CE2-CH2 3.89Å; W522-W596 AromaticContact CH2-CH2 3.54Å; W522-W596 HydrophobicContact CH2-CH2 3.54Å; W522-W596 HydrophobicContact CH2-CZ2 4.18Å; W522-W596 HydrophobicContact CH2-CZ3 4.39Å; W522-W596 AromaticContact CZ2-CH2 3.38Å; W522-W596 HydrophobicContact CZ2-CH2 3.38Å; W522-W596 AromaticContact CZ2-CZ2 3.65Å; W522-W596 HydrophobicContact CZ2-CZ2 3.65Å; W522-W596 HydrophobicContact CZ3-CH2 4.18Å
523	M	84	Confident	85.5	Confident	140 Å²	140	57.9 Å²	57.9	69%	0.69	29%	0.286	S	S	*	.	H	α-helix	trans	-61.4	-44.8	174.7	-65.8	-172.6	74.1	0	0	111.8	N521 T527	N521-M523 PolarHBondContact O-N 3.04Å; N521-M523 PolarHBondContact OD1-N 2.94Å; M523-T527 PolarHBondContact O-N 3.34Å; M523-T527 PolarHBondContact O-OG1 3.42Å; M523-T527 VanDerWaalsContact O-OG1 3.09Å
524	I	85	Confident	86.2	Confident	21 Å²	21	56.1 Å²	56.1	11%	0.108	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-45.7	177.2	-58.5	173.2	0	0	0	109.4	N521 L526 T527 V528 S792 L795	N521-I524 HydrophobicContact CB-CD1 4.28Å; N521-I524 HydrophobicContact CB-CG1 4.33Å; N521-I524 WeakPolarHBondContact O-CB 3.42Å; N521-I524 PolarHBondContact O-N 3.05Å; I524-L526 PolarHBondContact O-N 3.05Å; I524-T527 PolarHBondContact O-N 2.92Å; I524-V528 HydrophobicContact CG2-CG2 3.97Å; I524-V528 WeakPolarHBondContact O-CB 3.27Å; I524-V528 WeakPolarHBondContact O-CG2 3.15Å; I524-V528 PolarHBondContact O-N 2.87Å; I524-S792 WeakPolarHBondContact CD1-OG 3.06Å; I524-L795 HydrophobicContact CG2-CB 4.35Å; I524-L795 HydrophobicContact CG2-CD1 4.01Å
525	R	88.2	Confident	86.8	Confident	1 Å²	1	55.2 Å²	55.2	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-53.6	-53.3	176.3	-71.7	170.4	159.7	155.4	-8	111.7	H517 L519 G520 N521 W522 T527 V528 W529 D592 W596	H517-R525 PolarHBondContact CD2-NH1 3.12Å; H517-R525 VanDerWaalsContact CG-NH2 3.28Å; H517-R525 PolarHBondContact ND1-NH2 2.9Å; H517-R525 PolarHBondContact NE2-NH1 3Å; L519-R525 HydrophobicContact CB-CG 3.74Å; L519-R525 HydrophobicContact CD1-CG 4.13Å; G520-R525 PolarHBondContact O-NH1 2.92Å; G520-R525 VanDerWaalsContact O-NH1 3.09Å; N521-R525 PolarHBondContact O-N 3.19Å; W522-R525 PolarHBondContact O-N 3.19Å; R525-T527 PolarHBondContact O-N 3.28Å; R525-V528 PolarHBondContact O-N 3.45Å; R525-W529 WeakPolarHBondContact O-CB 3.26Å; R525-W529 PolarHBondContact O-N 3.01Å; R525-D592 IonicContact CZ-OD1 3.71Å; R525-D592 IonicContact CZ-OD2 3.7Å; R525-D592 IonicContact NE-OD1 3.35Å; R525-D592 IonicContact NE-OD2 3.67Å; R525-D592 PolarHBondContact NE-OD2 2.92Å; R525-D592 VanDerWaalsContact NH2-CG 3.34Å; R525-D592 IonicContact NH2-OD1 2.72Å; R525-D592 PolarHBondContact NH2-OD1 2.74Å; R525-D592 IonicContact NH2-OD2 2.77Å; R525-D592 PolarHBondContact NH2-OD2 2.86Å; R525-D592 VanDerWaalsContact NH2-OD2 3.11Å; R525-W596 VanDerWaalsContact CZ-CH2 3.4Å
526	L	89.4	Confident	87.3	Confident	104 Å²	104	56.5 Å²	56.5	55%	0.545	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-42.3	179.1	-69.9	171.2	0	0	0	112.7	W522 I524 W529 F530	W522-L526 WeakPolarHBondContact O-CB 3.45Å; W522-L526 WeakPolarHBondContact O-CG 3.12Å; W522-L526 PolarHBondContact O-N 3.14Å; I524-L526 PolarHBondContact O-N 3.05Å; L526-W529 HydrophobicContact CD2-CE3 4.37Å; L526-F530 WeakPolarHBondContact O-CB 3.43Å; L526-F530 PolarHBondContact O-N 3.34Å
527	T	89.8	Confident	87.9	Confident	51 Å²	51	54.1 Å²	54.1	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-45.4	175.9	-61.7	0	0	0	0	112	M523 I524 R525 F530 I531 I796	M523-T527 PolarHBondContact O-N 3.34Å; M523-T527 PolarHBondContact O-OG1 3.42Å; M523-T527 VanDerWaalsContact O-OG1 3.09Å; I524-T527 PolarHBondContact O-N 2.92Å; R525-T527 PolarHBondContact O-N 3.28Å; T527-F530 PolarHBondContact O-N 3Å; T527-I531 HydrophobicContact CG2-CD1 3.83Å; T527-I531 VanDerWaalsContact O-CG1 3.26Å; T527-I531 WeakPolarHBondContact O-CG1 3.41Å; T527-I531 PolarHBondContact O-N 3.16Å; T527-I796 HydrophobicContact CG2-CD1 4.33Å; T527-I796 HydrophobicContact CG2-CG1 4.12Å; T527-I796 HydrophobicContact CG2-CG2 4.04Å
528	V	90.2	Very high	88.2	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.024	27%	0.272	C	S	.	.	H	α-helix	trans	-67.6	-38.6	180	175.2	0	0	0	0	111.1	L519 I524 R525 I531 C532 V585 T589 L795	L519-V528 HydrophobicContact CD1-CG1 4.36Å; I524-V528 HydrophobicContact CG2-CG2 3.97Å; I524-V528 WeakPolarHBondContact O-CB 3.27Å; I524-V528 WeakPolarHBondContact O-CG2 3.15Å; I524-V528 PolarHBondContact O-N 2.87Å; R525-V528 PolarHBondContact O-N 3.45Å; V528-I531 PolarHBondContact O-N 2.91Å; V528-C532 WeakPolarHBondContact O-CB 3.32Å; V528-C532 PolarHBondContact O-N 3.24Å; V528-V585 HydrophobicContact CG1-CG1 3.47Å; V528-V585 VanDerWaalsContact CG1-CG1 3.47Å; V528-T589 HydrophobicContact CG1-CG2 3.67Å; V528-L795 HydrophobicContact CG2-CB 4.41Å
529	W	89.8	Confident	88.7	Confident	102 Å²	102	54.1 Å²	54.1	39%	0.386	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-42.3	173.3	-66.1	2.6	0	0	0	111.9	W522 R525 L526 C532 L533 T589	W522-W529 HydrophobicContact CZ3-CH2 4.01Å; W522-W529 HydrophobicContact CZ3-CZ3 4.4Å; R525-W529 WeakPolarHBondContact O-CB 3.26Å; R525-W529 PolarHBondContact O-N 3.01Å; L526-W529 HydrophobicContact CD2-CE3 4.37Å; W529-C532 WeakPolarHBondContact O-CB 3.42Å; W529-C532 PolarHBondContact O-N 3.11Å; W529-L533 WeakPolarHBondContact O-CB 3.03Å; W529-L533 PolarHBondContact O-N 3.16Å; W529-T589 VanDerWaalsContact CD1-CG2 3.49Å
530	F	91	Very high	89.1	Confident	126 Å²	126	56.5 Å²	56.5	55%	0.553	29%	0.288	S	S	*	.	H	α-helix	trans	-63.3	-45.6	175.1	177.3	-98.1	0	0	0	112	L526 T527 C532 L533 V534	L526-F530 WeakPolarHBondContact O-CB 3.43Å; L526-F530 PolarHBondContact O-N 3.34Å; T527-F530 PolarHBondContact O-N 3Å; F530-C532 VanDerWaalsContact C-N 3.32Å; F530-C532 PolarHBondContact O-N 3.5Å; F530-L533 PolarHBondContact O-N 2.91Å; F530-V534 HydrophobicContact CD1-CG2 4.36Å; F530-V534 HydrophobicContact CD2-CG2 4.14Å; F530-V534 HydrophobicContact CE1-CG2 4.02Å; F530-V534 HydrophobicContact CE2-CG2 3.78Å; F530-V534 HydrophobicContact CG-CG2 4.43Å; F530-V534 HydrophobicContact CZ-CG2 3.72Å; F530-V534 WeakPolarHBondContact O-CB 3.47Å; F530-V534 WeakPolarHBondContact O-CG2 3.34Å; F530-V534 PolarHBondContact O-N 2.91Å
531	I	91.4	Very high	89.5	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-59.9	-43.1	175.3	-70.7	167.1	0	0	0	110.8	T527 V528 S535 P799 L800 C803	T527-I531 HydrophobicContact CG2-CD1 3.83Å; T527-I531 VanDerWaalsContact O-CG1 3.26Å; T527-I531 WeakPolarHBondContact O-CG1 3.41Å; T527-I531 PolarHBondContact O-N 3.16Å; V528-I531 PolarHBondContact O-N 2.91Å; I531-S535 WeakPolarHBondContact O-CB 3.33Å; I531-S535 PolarHBondContact O-N 3.07Å; I531-S535 PolarHBondContact O-OG 2.93Å; I531-P799 HydrophobicContact CD1-CG 4.43Å; I531-P799 HydrophobicContact CG2-CB 3.78Å; I531-P799 HydrophobicContact CG2-CG 3.95Å; I531-L800 HydrophobicContact CD1-CD1 3.64Å; I531-L800 HydrophobicContact CG1-CD1 4.05Å; I531-C803 HydrophobicContact CG2-CB 4.13Å
532	C	93.1	Very high	89.7	Confident	13 Å²	13	53.3 Å²	53.3	9%	0.088	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-52.7	175	-170.3	0	0	0	0	111.4	V528 W529 F530 V534 S535 L536 V585	V528-C532 WeakPolarHBondContact O-CB 3.32Å; V528-C532 PolarHBondContact O-N 3.24Å; W529-C532 WeakPolarHBondContact O-CB 3.42Å; W529-C532 PolarHBondContact O-N 3.11Å; F530-C532 VanDerWaalsContact C-N 3.32Å; F530-C532 PolarHBondContact O-N 3.5Å; C532-V534 PolarHBondContact O-N 3.24Å; C532-S535 PolarHBondContact O-OG 2.86Å; C532-S535 VanDerWaalsContact O-OG 3.13Å; C532-L536 WeakPolarHBondContact O-CB 3.33Å; C532-L536 VanDerWaalsContact O-CG 3.27Å; C532-L536 WeakPolarHBondContact O-CG 3.45Å; C532-L536 PolarHBondContact O-N 3.43Å; C532-V585 HydrophobicContact CB-CG1 3.89Å
533	L	92.6	Very high	89.8	Confident	110 Å²	110	48 Å²	48	58%	0.576	25%	0.247	S	C	*	.	H	α-helix	trans	-60	-49.9	-179.2	-178.8	64.3	0	0	0	112.2	W529 F530 L536 V537	W529-L533 WeakPolarHBondContact O-CB 3.03Å; W529-L533 PolarHBondContact O-N 3.16Å; F530-L533 PolarHBondContact O-N 2.91Å; L533-L536 PolarHBondContact O-N 3.5Å; L533-V537 HydrophobicContact CD1-CG2 4.1Å; L533-V537 WeakPolarHBondContact O-CB 3.48Å; L533-V537 VanDerWaalsContact O-CG2 3.28Å; L533-V537 WeakPolarHBondContact O-CG2 3.49Å; L533-V537 PolarHBondContact O-N 2.92Å
534	V	92.4	Very high	89.8	Confident	16 Å²	16	45.6 Å²	45.6	10%	0.097	24%	0.239	C	C	.	.	H	α-helix	trans	-68.6	-42.5	-177.2	175.8	0	0	0	0	111.3	F530 C532 F538 C803 V807	F530-V534 HydrophobicContact CD1-CG2 4.36Å; F530-V534 HydrophobicContact CD2-CG2 4.14Å; F530-V534 HydrophobicContact CE1-CG2 4.02Å; F530-V534 HydrophobicContact CE2-CG2 3.78Å; F530-V534 HydrophobicContact CG-CG2 4.43Å; F530-V534 HydrophobicContact CZ-CG2 3.72Å; F530-V534 WeakPolarHBondContact O-CB 3.47Å; F530-V534 WeakPolarHBondContact O-CG2 3.34Å; F530-V534 PolarHBondContact O-N 2.91Å; C532-V534 PolarHBondContact O-N 3.24Å; V534-F538 HydrophobicContact CB-CD2 4.48Å; V534-F538 HydrophobicContact CG1-CD2 3.71Å; V534-F538 HydrophobicContact CG1-CE2 4.12Å; V534-F538 HydrophobicContact CG1-CG 4.41Å; V534-F538 WeakPolarHBondContact O-CB 3.2Å; V534-F538 WeakPolarHBondContact O-CD2 3.46Å; V534-F538 PolarHBondContact O-N 2.79Å; V534-C803 WeakPolarHBondContact CG1-SG 3.14Å; V534-V807 HydrophobicContact CG1-CG2 3.73Å
535	S	92.6	Very high	89.6	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-39.5	177.2	61.5	0	0	0	0	112.3	I531 C532 N539 G582	I531-S535 WeakPolarHBondContact O-CB 3.33Å; I531-S535 PolarHBondContact O-N 3.07Å; I531-S535 PolarHBondContact O-OG 2.93Å; C532-S535 PolarHBondContact O-OG 2.86Å; C532-S535 VanDerWaalsContact O-OG 3.13Å; S535-N539 VanDerWaalsContact O-CB 3.27Å; S535-N539 WeakPolarHBondContact O-CB 3.43Å; S535-N539 PolarHBondContact O-N 3.15Å; S535-N539 PolarHBondContact O-ND2 3.47Å; S535-G582 WeakPolarHBondContact OG-CA 3.26Å
536	L	91.9	Very high	89.2	Confident	64 Å²	64	45.3 Å²	45.3	34%	0.335	24%	0.239	S	C	.	.	H	α-helix	trans	-66.7	-49.6	175.1	-69.5	174.9	0	0	0	111.9	C532 L533 S540 L579	C532-L536 WeakPolarHBondContact O-CB 3.33Å; C532-L536 VanDerWaalsContact O-CG 3.27Å; C532-L536 WeakPolarHBondContact O-CG 3.45Å; C532-L536 PolarHBondContact O-N 3.43Å; L533-L536 PolarHBondContact O-N 3.5Å; L536-S540 WeakPolarHBondContact O-CB 3.41Å; L536-S540 PolarHBondContact O-N 2.99Å; L536-S540 PolarHBondContact O-OG 3.21Å; L536-L579 HydrophobicContact CD2-CD1 3.85Å
537	V	91.6	Very high	88.7	Confident	78 Å²	78	44.1 Å²	44.1	47%	0.473	23%	0.229	S	C	.	.	H	α-helix	trans	-67.1	-53.5	-176.2	171.5	0	0	0	0	111.8	L533 S540 L541	L533-V537 HydrophobicContact CD1-CG2 4.1Å; L533-V537 WeakPolarHBondContact O-CB 3.48Å; L533-V537 VanDerWaalsContact O-CG2 3.28Å; L533-V537 WeakPolarHBondContact O-CG2 3.49Å; L533-V537 PolarHBondContact O-N 2.92Å; V537-S540 PolarHBondContact O-N 3.07Å; V537-L541 WeakPolarHBondContact O-CB 3.45Å; V537-L541 PolarHBondContact O-N 3.05Å
538	F	90.8	Very high	87.9	Confident	49 Å²	49	42.6 Å²	42.6	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-74.2	-35.5	-172.3	-77.5	-102.2	0	0	0	112.7	V534 L541 V542 P806 V807 V810 F811	V534-F538 HydrophobicContact CB-CD2 4.48Å; V534-F538 HydrophobicContact CG1-CD2 3.71Å; V534-F538 HydrophobicContact CG1-CE2 4.12Å; V534-F538 HydrophobicContact CG1-CG 4.41Å; V534-F538 WeakPolarHBondContact O-CB 3.2Å; V534-F538 WeakPolarHBondContact O-CD2 3.46Å; V534-F538 PolarHBondContact O-N 2.79Å; F538-L541 PolarHBondContact O-N 2.87Å; F538-V542 WeakPolarHBondContact O-CG2 3.22Å; F538-V542 PolarHBondContact O-N 3.48Å; F538-P806 HydrophobicContact CB-CB 3.84Å; F538-P806 HydrophobicContact CB-CG 3.71Å; F538-V807 HydrophobicContact CB-CG2 4.33Å; F538-V807 HydrophobicContact CD1-CG2 3.82Å; F538-V807 HydrophobicContact CD2-CG2 4.2Å; F538-V807 HydrophobicContact CE1-CG2 4.13Å; F538-V807 HydrophobicContact CE2-CG2 4.47Å; F538-V807 HydrophobicContact CG-CG2 3.86Å; F538-V807 HydrophobicContact CZ-CG2 4.44Å; F538-V810 HydrophobicContact CD1-CB 4.34Å; F538-V810 HydrophobicContact CD1-CG1 4.46Å; F538-V810 HydrophobicContact CD1-CG2 4.1Å; F538-V810 HydrophobicContact CE1-CG1 4.24Å; F538-F811 HydrophobicContact CE1-CE2 4.26Å
539	N	90.7	Very high	86.4	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.1	-36.9	173.2	-67.8	-65.8	0	0	0	111.7	S535 L541 V542 L543 A575 N578 L579 A802 P806	S535-N539 VanDerWaalsContact O-CB 3.27Å; S535-N539 WeakPolarHBondContact O-CB 3.43Å; S535-N539 PolarHBondContact O-N 3.15Å; S535-N539 PolarHBondContact O-ND2 3.47Å; N539-L541 VanDerWaalsContact C-N 3.34Å; N539-L541 PolarHBondContact O-N 3.32Å; N539-V542 PolarHBondContact O-N 3Å; N539-L543 WeakPolarHBondContact O-CB 3.22Å; N539-L543 VanDerWaalsContact O-CG 3.26Å; N539-L543 WeakPolarHBondContact O-CG 3.37Å; N539-L543 PolarHBondContact O-N 3.01Å; N539-A575 HydrophobicContact CB-CB 4.34Å; N539-A575 WeakPolarHBondContact CB-O 3.36Å; N539-A575 WeakPolarHBondContact OD1-CA 3.39Å; N539-N578 VanDerWaalsContact CG-CB 3.48Å; N539-N578 WeakPolarHBondContact ND2-CB 3.4Å; N539-N578 VanDerWaalsContact OD1-CB 3.22Å; N539-N578 WeakPolarHBondContact OD1-CB 3.38Å; N539-N578 PolarHBondContact OD1-ND2 3.4Å; N539-L579 HydrophobicContact CB-CB 4.07Å; N539-L579 HydrophobicContact CB-CD1 4.15Å; N539-A802 PolarHBondContact ND2-O 3.47Å; N539-P806 WeakPolarHBondContact OD1-CB 3.49Å; N539-P806 WeakPolarHBondContact OD1-CG 3.3Å
540	S	89.8	Confident	84.7	Confident	51 Å²	51	44.2 Å²	44.2	36%	0.357	25%	0.248	S	C	.	.	H	α-helix	trans	-61.8	-41.6	172.8	-61	0	0	0	0	112	L536 V537 L543 V544	L536-S540 WeakPolarHBondContact O-CB 3.41Å; L536-S540 PolarHBondContact O-N 2.99Å; L536-S540 PolarHBondContact O-OG 3.21Å; V537-S540 PolarHBondContact O-N 3.07Å; S540-L543 PolarHBondContact O-N 3Å; S540-V544 WeakPolarHBondContact O-CB 3.23Å; S540-V544 WeakPolarHBondContact O-CG2 3.35Å; S540-V544 PolarHBondContact O-N 3.3Å
541	L	88.4	Confident	82.7	Confident	48 Å²	48	42.1 Å²	42.1	25%	0.251	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-44.9	175.3	-171.9	67.1	0	0	0	112	V537 F538 N539 T545 V810 F816 W820	V537-L541 WeakPolarHBondContact O-CB 3.45Å; V537-L541 PolarHBondContact O-N 3.05Å; F538-L541 PolarHBondContact O-N 2.87Å; N539-L541 VanDerWaalsContact C-N 3.34Å; N539-L541 PolarHBondContact O-N 3.32Å; L541-T545 WeakPolarHBondContact O-CG2 3.48Å; L541-T545 PolarHBondContact O-N 3.47Å; L541-T545 PolarHBondContact O-OG1 3.33Å; L541-V810 HydrophobicContact CD2-CG2 4.33Å; L541-F816 HydrophobicContact CD2-CZ 4.04Å; L541-F816 HydrophobicContact CG-CZ 4.18Å; L541-W820 HydrophobicContact CD1-CE3 4.29Å; L541-W820 HydrophobicContact CD1-CH2 3.99Å; L541-W820 HydrophobicContact CD1-CZ3 3.55Å
542	V	86.3	Confident	80.7	Confident	2 Å²	2	50 Å²	50	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-38.3	176.3	174.1	0	0	0	0	111.7	F538 N539 T545 T546 A575 P806 Y809 V810	F538-V542 WeakPolarHBondContact O-CG2 3.22Å; F538-V542 PolarHBondContact O-N 3.48Å; N539-V542 PolarHBondContact O-N 3Å; V542-T545 WeakPolarHBondContact CA-OG1 3.43Å; V542-T545 PolarHBondContact O-OG1 2.97Å; V542-T545 VanDerWaalsContact O-OG1 3.09Å; V542-T546 WeakPolarHBondContact O-CB 3.48Å; V542-T546 PolarHBondContact O-N 3.38Å; V542-T546 PolarHBondContact O-OG1 2.96Å; V542-A575 HydrophobicContact CB-CB 4.13Å; V542-A575 HydrophobicContact CG1-CB 3.77Å; V542-P806 HydrophobicContact CG2-CB 4Å; V542-Y809 HydrophobicContact CG1-CD1 3.95Å; V542-Y809 HydrophobicContact CG1-CE1 4.01Å; V542-Y809 HydrophobicContact CG2-CD1 3.78Å; V542-Y809 HydrophobicContact CG2-CE1 4.41Å; V542-V810 HydrophobicContact CG2-CG2 3.95Å
543	L	86.8	Confident	78.3	Confident	26 Å²	26	53.3 Å²	53.3	14%	0.136	30%	0.298	C	S	.	.	H	α-helix	trans	-64.9	-48.6	174.8	-73.3	166.6	0	0	0	112.3	N539 S540 T545 T546 F547 G572 A575 L576 L579	N539-L543 WeakPolarHBondContact O-CB 3.22Å; N539-L543 VanDerWaalsContact O-CG 3.26Å; N539-L543 WeakPolarHBondContact O-CG 3.37Å; N539-L543 PolarHBondContact O-N 3.01Å; S540-L543 PolarHBondContact O-N 3Å; L543-T545 PolarHBondContact O-N 3.44Å; L543-T546 PolarHBondContact O-N 3.47Å; L543-F547 HydrophobicContact CD2-CD2 4.09Å; L543-F547 HydrophobicContact CD2-CE2 3.83Å; L543-F547 WeakPolarHBondContact O-CB 3.36Å; L543-F547 WeakPolarHBondContact O-CD2 3.43Å; L543-F547 PolarHBondContact O-N 2.94Å; L543-G572 VanDerWaalsContact CD2-O 3.22Å; L543-G572 WeakPolarHBondContact CD2-O 3.01Å; L543-A575 HydrophobicContact CD2-CB 4.24Å; L543-A575 HydrophobicContact CG-CB 4.08Å; L543-L576 HydrophobicContact CD1-CD1 4.38Å; L543-L576 HydrophobicContact CD2-CB 4.13Å; L543-L579 HydrophobicContact CD1-CD2 3.77Å
544	V	84.8	Confident	76	Confident	89 Å²	89	53.3 Å²	53.3	54%	0.539	31%	0.314	S	S	.	.	H	α-helix	trans	-60.5	-45.7	179.2	169	0	0	0	0	111.1	S540 S548	S540-V544 WeakPolarHBondContact O-CB 3.23Å; S540-V544 WeakPolarHBondContact O-CG2 3.35Å; S540-V544 PolarHBondContact O-N 3.3Å; V544-S548 WeakPolarHBondContact O-CA 3.44Å; V544-S548 VanDerWaalsContact O-CB 3.3Å; V544-S548 WeakPolarHBondContact O-CB 3.2Å; V544-S548 PolarHBondContact O-N 2.91Å
545	T	80.3	Confident	73.5	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.025	34%	0.337	C	S	.	.	H	α-helix	trans	-66.8	-42.9	176.6	48.6	0	0	0	0	113	L541 V542 L543 F547 F816 W820 L823	L541-T545 WeakPolarHBondContact O-CG2 3.48Å; L541-T545 PolarHBondContact O-N 3.47Å; L541-T545 PolarHBondContact O-OG1 3.33Å; V542-T545 WeakPolarHBondContact CA-OG1 3.43Å; V542-T545 PolarHBondContact O-OG1 2.97Å; V542-T545 VanDerWaalsContact O-OG1 3.09Å; L543-T545 PolarHBondContact O-N 3.44Å; T545-F547 PolarHBondContact O-N 3.33Å; T545-F816 HydrophobicContact CG2-CE2 3.81Å; T545-F816 HydrophobicContact CG2-CZ 4.31Å; T545-F816 WeakPolarHBondContact OG1-CE2 3.42Å; T545-W820 HydrophobicContact CG2-CE3 3.86Å; T545-W820 HydrophobicContact CG2-CZ3 4.38Å; T545-L823 HydrophobicContact CG2-CD2 4.38Å
546	T	78.7	Confident	70.9	Confident	11 Å²	11	66.9 Å²	66.9	7%	0.067	38%	0.382	C	S	.	.	H	α-helix	trans	-66.4	-35.7	-179.5	-59.2	0	0	0	0	113	V542 L543 L564 R568	V542-T546 WeakPolarHBondContact O-CB 3.48Å; V542-T546 PolarHBondContact O-N 3.38Å; V542-T546 PolarHBondContact O-OG1 2.96Å; L543-T546 PolarHBondContact O-N 3.47Å; T546-L564 HydrophobicContact CG2-CD2 4.34Å; T546-R568 WeakPolarHBondContact CG2-O 3.29Å
547	F	79.7	Confident	68.1	Low	80 Å²	80	69.1 Å²	69.1	35%	0.351	40%	0.403	S	S	.	.	H	α-helix	trans	-109.2	7.3	-173.8	-64.7	-68.9	0	0	0	114.9	L543 T545 L564 L569	L543-F547 HydrophobicContact CD2-CD2 4.09Å; L543-F547 HydrophobicContact CD2-CE2 3.83Å; L543-F547 WeakPolarHBondContact O-CB 3.36Å; L543-F547 WeakPolarHBondContact O-CD2 3.43Å; L543-F547 PolarHBondContact O-N 2.94Å; T545-F547 PolarHBondContact O-N 3.33Å; F547-L564 HydrophobicContact CD1-CD2 4.04Å; F547-L564 HydrophobicContact CE1-CD2 3.88Å; F547-L569 HydrophobicContact CE1-CD1 4.33Å; F547-L569 HydrophobicContact CZ-CD1 4.4Å
548	S	73.8	Confident	65.6	Low	18 Å²	18	72.6 Å²	72.6	13%	0.126	41%	0.414	C	S	.	.			trans	-52.3	134.2	-178.4	178.8	0	0	0	0	113.3	V544 A550 H551 L823	V544-S548 WeakPolarHBondContact O-CA 3.44Å; V544-S548 VanDerWaalsContact O-CB 3.3Å; V544-S548 WeakPolarHBondContact O-CB 3.2Å; V544-S548 PolarHBondContact O-N 2.91Å; S548-A550 PolarHBondContact O-N 3.43Å; S548-A550 VanDerWaalsContact O-N 3.17Å; S548-A550 PolarHBondContact OG-N 3.28Å; S548-H551 PolarHBondContact O-N 3.32Å; S548-L823 WeakPolarHBondContact OG-CD1 3.41Å
549	P	58.3	Low	62.9	Low	96 Å²	96	80.1 Å²	80.1	62%	0.623	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-59.1	-23	173.9	-24.9	34.9	0	0	0	114.6	H551 R552	P549-H551 PolarHBondContact O-N 3.12Å; P549-R552 WeakPolarHBondContact O-CB 3.14Å; P549-R552 PolarHBondContact O-N 3.38Å
550	A	52.9	Low	60.4	Low	44 Å²	44	87 Å²	87	36%	0.364	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-56.8	-35.9	-177.2	0	0	0	0	0	112.8	S548 R552 A553	S548-A550 PolarHBondContact O-N 3.43Å; S548-A550 VanDerWaalsContact O-N 3.17Å; S548-A550 PolarHBondContact OG-N 3.28Å; A550-R552 PolarHBondContact O-N 2.91Å; A550-R552 VanDerWaalsContact O-N 3.15Å; A550-A553 PolarHBondContact O-N 2.91Å
551	H	50.7	Low	57.9	Low	83 Å²	83	90 Å²	90	38%	0.384	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-68.9	-6	175.9	-87.7	-65.4	0	0	0	114.6	S548 P549 R568 D819	S548-H551 PolarHBondContact O-N 3.32Å; P549-H551 PolarHBondContact O-N 3.12Å; H551-R568 PolarHBondContact NE2-NH1 3.46Å; H551-D819 IonicContact CD2-OD1 2.8Å; H551-D819 IonicContact CE1-OD1 3.2Å; H551-D819 PolarHBondContact CE1-OD1 3.11Å; H551-D819 VanDerWaalsContact CE1-OD1 3.26Å; H551-D819 IonicContact NE2-OD1 2.69Å; H551-D819 PolarHBondContact NE2-OD1 2.84Å
552	R	48.2	Very low	55.7	Low	166 Å²	166	92 Å²	92	63%	0.626	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-95.9	-12.6	178.6	-58.4	-176.9	-175.7	163.8	4.6	114.1	P549 A550	P549-R552 WeakPolarHBondContact O-CB 3.14Å; P549-R552 PolarHBondContact O-N 3.38Å; A550-R552 PolarHBondContact O-N 2.91Å; A550-R552 VanDerWaalsContact O-N 3.15Å
553	A	43	Very low	54	Low	83 Å²	83	95.7 Å²	95.7	69%	0.686	54%	0.537	S	S	*	.	S	Bend	trans	-83.7	-24.8	-171.4	0	0	0	0	0	114.4	A550 G555	A550-A553 PolarHBondContact O-N 2.91Å; A553-G555 PolarHBondContact O-N 2.92Å
554	A	43.8	Very low	52.9	Low	110 Å²	110	97.7 Å²	97.7	91%	0.909	55%	0.547	S	S	*	.	S	Bend	trans	-82.5	44.6	-174	0	0	0	0	0	114.1
555	G	40.8	Very low	52.3	Low	57 Å²	57	95.8 Å²	95.8	59%	0.588	54%	0.538	S	S	*	.			trans	-157.8	80.5	-173.3	0	0	0	0	0	114.3	A553 S557	A553-G555 PolarHBondContact O-N 2.92Å; G555-S557 VanDerWaalsContact C-N 3.34Å; G555-S557 PolarHBondContact O-N 3.43Å
556	Y	38.2	Very low	51.9	Low	246 Å²	246	96.4 Å²	96.4	97%	0.965	54%	0.542	S	S	*	.			trans	-80.1	73.1	-177.5	-146.1	-80.5	0	0	0	112.7
557	S	31.7	Very low	51.6	Low	111 Å²	111	96.5 Å²	96.5	78%	0.776	54%	0.544	S	S	*	.			trans	-154.6	142.5	160.6	-161.3	0	0	0	0	112.6	G555	G555-S557 VanDerWaalsContact C-N 3.34Å; G555-S557 PolarHBondContact O-N 3.43Å
558	H	39	Very low	51.6	Low	150 Å²	150	95.7 Å²	95.7	69%	0.694	54%	0.539	S	S	*	.	S	Bend	trans	-81.9	148.3	-175.7	-142.9	-90.6	0	0	0	111.1
559	Y	35.8	Very low	52	Low	207 Å²	207	97.4 Å²	97.4	81%	0.812	55%	0.546	S	S	*	.	S	Bend	trans	65.7	62.7	175.6	-57.5	-77.1	0	0	0	118.1
560	L	37.5	Very low	53.2	Low	144 Å²	144	93.4 Å²	93.4	75%	0.754	52%	0.519	S	S	*	.				-157.7	156	129.5	-132.6	72.6	0	0	0	110.3	F663	L560-F663 HydrophobicContact CD2-CZ 4.39Å
561	T	37	Very low	54.7	Low	114 Å²	114	92.2 Å²	92.2	70%	0.699	51%	0.507	S	S	*	.			trans	-73.6	128.6	177.6	38.5	0	0	0	0	111.1	S563	T561-S563 PolarHBondContact O-N 3.21Å; T561-S563 VanDerWaalsContact O-N 3.15Å
562	P	41.8	Very low	56.3	Low	92 Å²	92	88.3 Å²	88.3	60%	0.597	49%	0.488	S	S	*	.			trans	-69.9	111.6	176.2	27.4	-32.8	0	0	0	109.6
563	S	51.8	Low	58.2	Low	78 Å²	78	82 Å²	82	55%	0.545	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-87.6	120.4	-176.5	52	0	0	0	0	112	T561	T561-S563 PolarHBondContact O-N 3.21Å; T561-S563 VanDerWaalsContact O-N 3.15Å
564	L	63.5	Low	60.4	Low	68 Å²	68	78.2 Å²	78.2	36%	0.356	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-57.8	148	164.4	-82.9	71.6	0	0	0	110.1	T546 F547	T546-L564 HydrophobicContact CG2-CD2 4.34Å; F547-L564 HydrophobicContact CD1-CD2 4.04Å; F547-L564 HydrophobicContact CE1-CD2 3.88Å
565	S	71.8	Confident	62.6	Low	50 Å²	50	73.1 Å²	73.1	35%	0.35	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-67.2	150.8	170	60.9	0	0	0	0	110.7	A567 R568 L569	S565-A567 VanDerWaalsContact C-N 3.32Å; S565-A567 PolarHBondContact O-N 3.29Å; S565-R568 PolarHBondContact O-N 2.94Å; S565-R568 WeakPolarHBondContact OG-CG 3.4Å; S565-L569 PolarHBondContact O-N 3.48Å
566	P	72.1	Confident	65.1	Low	17 Å²	17	73.5 Å²	73.5	11%	0.11	38%	0.381	C	S	.	.	H	α-helix	trans	-64.1	-41.4	-171.9	-18	32.9	0	0	0	110.5	R568 L569 L570 E636 Y666 F669	P566-R568 PolarHBondContact O-N 3.49Å; P566-L569 PolarHBondContact O-N 3.47Å; P566-L570 WeakPolarHBondContact O-CB 3.48Å; P566-L570 PolarHBondContact O-N 2.99Å; P566-E636 HydrophobicContact CB-CG 3.94Å; P566-Y666 VanDerWaalsContact CD-CD1 3.49Å; P566-Y666 HydrophobicContact CG-CD1 3.44Å; P566-Y666 VanDerWaalsContact CG-CD1 3.44Å; P566-Y666 HydrophobicContact CG-CE1 3.85Å; P566-Y666 HydrophobicContact CG-CG 4.29Å; P566-F669 HydrophobicContact CB-CB 4.09Å; P566-F669 HydrophobicContact CB-CD2 4.46Å; P566-F669 HydrophobicContact CB-CG 4.34Å
567	A	72.8	Confident	67.6	Low	13 Å²	13	61.8 Å²	61.8	11%	0.107	34%	0.335	C	S	.	.	H	α-helix	trans	-52.8	-45.2	169.4	0	0	0	0	0	114.9	S565 M571 E636	S565-A567 VanDerWaalsContact C-N 3.32Å; S565-A567 PolarHBondContact O-N 3.29Å; A567-M571 WeakPolarHBondContact O-CG 3.35Å; A567-M571 PolarHBondContact O-N 2.92Å; A567-E636 PolarHBondContact N-OE1 2.89Å; A567-E636 VanDerWaalsContact N-OE1 3.15Å
568	R	78.6	Confident	70.5	Confident	63 Å²	63	56.7 Å²	56.7	24%	0.238	30%	0.299	C	S	.	.	H	α-helix	trans	-67.8	-46.7	177.4	-78.5	-176	177.5	-139.7	-4.1	111	T546 H551 S565 P566 L570 M571 G572 D819	T546-R568 WeakPolarHBondContact CG2-O 3.29Å; H551-R568 PolarHBondContact NE2-NH1 3.46Å; S565-R568 PolarHBondContact O-N 2.94Å; S565-R568 WeakPolarHBondContact OG-CG 3.4Å; P566-R568 PolarHBondContact O-N 3.49Å; R568-L570 VanDerWaalsContact C-N 3.28Å; R568-L570 PolarHBondContact O-N 3.11Å; R568-M571 PolarHBondContact O-N 3.25Å; R568-G572 PolarHBondContact O-N 2.94Å; R568-D819 IonicContact CZ-OD1 3.62Å; R568-D819 VanDerWaalsContact CZ-OD1 3.29Å; R568-D819 IonicContact CZ-OD2 2.72Å; R568-D819 IonicContact NE-OD2 2.72Å; R568-D819 VanDerWaalsContact NH1-CG 3.29Å; R568-D819 IonicContact NH1-OD1 2.65Å; R568-D819 PolarHBondContact NH1-OD1 2.94Å; R568-D819 IonicContact NH1-OD2 3.93Å; R568-D819 PolarHBondContact NH1-OD2 3.45Å; R568-D819 IonicContact NH2-OD1 3.11Å; R568-D819 PolarHBondContact NH2-OD1 2.96Å; R568-D819 IonicContact NH2-OD2 3.15Å; R568-D819 PolarHBondContact NH2-OD2 2.75Å
569	L	82.8	Confident	73.1	Confident	53 Å²	53	51.2 Å²	51.2	28%	0.277	28%	0.275	S	S	.	.	H	α-helix	trans	-55.9	-44.3	175.3	176.4	63.1	0	0	0	111.6	F547 S565 P566 G572 L573	F547-L569 HydrophobicContact CE1-CD1 4.33Å; F547-L569 HydrophobicContact CZ-CD1 4.4Å; S565-L569 PolarHBondContact O-N 3.48Å; P566-L569 PolarHBondContact O-N 3.47Å; L569-G572 PolarHBondContact O-N 2.95Å; L569-L573 HydrophobicContact CD1-CD1 4.28Å; L569-L573 HydrophobicContact CD1-CG 4.38Å; L569-L573 HydrophobicContact CG-CD1 4.16Å; L569-L573 WeakPolarHBondContact O-CG 3.32Å; L569-L573 PolarHBondContact O-N 3.05Å
570	L	83.5	Confident	75.9	Confident	12 Å²	12	43.2 Å²	43.2	6%	0.063	25%	0.246	C	C	.	.	H	α-helix	trans	-72.9	-37.3	-175.6	-172.2	51.6	0	0	0	112.8	P566 R568 G572 L573 L574 L629 L632 A633	P566-L570 WeakPolarHBondContact O-CB 3.48Å; P566-L570 PolarHBondContact O-N 2.99Å; R568-L570 VanDerWaalsContact C-N 3.28Å; R568-L570 PolarHBondContact O-N 3.11Å; L570-G572 VanDerWaalsContact C-N 3.34Å; L570-L573 PolarHBondContact O-N 2.99Å; L570-L574 WeakPolarHBondContact O-CB 3.08Å; L570-L574 PolarHBondContact O-N 3.26Å; L570-L629 HydrophobicContact CD1-CB 3.89Å; L570-L629 HydrophobicContact CD1-CD2 3.47Å; L570-L629 VanDerWaalsContact CD1-CD2 3.47Å; L570-L629 HydrophobicContact CD1-CG 4.24Å; L570-L632 HydrophobicContact CD1-CD2 4.27Å; L570-L632 HydrophobicContact CD2-CB 4.27Å; L570-L632 HydrophobicContact CD2-CD2 4.44Å; L570-L632 HydrophobicContact CD2-CG 4.15Å; L570-A633 VanDerWaalsContact CD2-CA 3.46Å; L570-A633 HydrophobicContact CD2-CB 3.66Å; L570-A633 HydrophobicContact CG-CB 4.25Å
571	M	83.5	Confident	78.5	Confident	20 Å²	20	36.6 Å²	36.6	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-38.2	169.1	-71.6	-54.9	-56.6	0	0	111.9	A567 R568 L574 A575 L759 Y809	A567-M571 WeakPolarHBondContact O-CG 3.35Å; A567-M571 PolarHBondContact O-N 2.92Å; R568-M571 PolarHBondContact O-N 3.25Å; M571-L574 HydrophobicContact CE-CD2 4.37Å; M571-L574 PolarHBondContact O-N 3.01Å; M571-L574 HydrophobicContact SD-CD2 4.39Å; M571-A575 WeakPolarHBondContact O-CB 3.06Å; M571-A575 PolarHBondContact O-N 3.07Å; M571-L759 HydrophobicContact CE-CD1 3.95Å; M571-L759 HydrophobicContact SD-CD1 4.07Å; M571-Y809 HydrophobicContact CE-CD2 3.74Å; M571-Y809 HydrophobicContact CE-CE2 4.24Å; M571-Y809 HydrophobicContact CE-CG 4.05Å; M571-Y809 HydrophobicContact CG-CE2 4.22Å
572	G	84.9	Confident	81.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-42.4	173.3	0	0	0	0	0	113	L543 R568 L569 L570 A575 L576	L543-G572 VanDerWaalsContact CD2-O 3.22Å; L543-G572 WeakPolarHBondContact CD2-O 3.01Å; R568-G572 PolarHBondContact O-N 2.94Å; L569-G572 PolarHBondContact O-N 2.95Å; L570-G572 VanDerWaalsContact C-N 3.34Å; G572-A575 PolarHBondContact O-N 3.29Å; G572-L576 PolarHBondContact O-N 3.14Å
573	L	88.8	Confident	83.6	Confident	33 Å²	33	31 Å²	31	17%	0.173	17%	0.172	C	C	.	.	H	α-helix	trans	-68.3	-37.2	175.1	-68.2	172.7	0	0	0	112.2	L569 L570 L576 A577 W625 L629 A673	L569-L573 HydrophobicContact CD1-CD1 4.28Å; L569-L573 HydrophobicContact CD1-CG 4.38Å; L569-L573 HydrophobicContact CG-CD1 4.16Å; L569-L573 WeakPolarHBondContact O-CG 3.32Å; L569-L573 PolarHBondContact O-N 3.05Å; L570-L573 PolarHBondContact O-N 2.99Å; L573-L576 WeakPolarHBondContact O-CB 3.5Å; L573-L576 PolarHBondContact O-N 3.38Å; L573-A577 PolarHBondContact O-N 3.19Å; L573-W625 HydrophobicContact CB-CZ2 4.36Å; L573-W625 HydrophobicContact CD2-CH2 4.01Å; L573-W625 HydrophobicContact CD2-CZ2 4.01Å; L573-L629 HydrophobicContact CB-CD1 3.99Å; L573-L629 HydrophobicContact CB-CD2 4.14Å; L573-L629 HydrophobicContact CD1-CD2 4.43Å; L573-A673 HydrophobicContact CD1-CB 3.79Å
574	L	89.2	Confident	85.5	Confident	5 Å²	5	27.7 Å²	27.7	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-40.9	174.1	-178.6	60.7	0	0	0	111.3	L570 M571 L576 A577 N578 L759	L570-L574 WeakPolarHBondContact O-CB 3.08Å; L570-L574 PolarHBondContact O-N 3.26Å; M571-L574 HydrophobicContact CE-CD2 4.37Å; M571-L574 PolarHBondContact O-N 3.01Å; M571-L574 HydrophobicContact SD-CD2 4.39Å; L574-L576 VanDerWaalsContact C-N 3.32Å; L574-L576 PolarHBondContact O-N 3.13Å; L574-A577 PolarHBondContact O-N 3.26Å; L574-N578 WeakPolarHBondContact O-CB 3.28Å; L574-N578 PolarHBondContact O-N 3.45Å; L574-N578 PolarHBondContact O-ND2 3.08Å; L574-N578 VanDerWaalsContact O-ND2 3.14Å; L574-L759 HydrophobicContact CD2-CD1 4.35Å
575	A	90.5	Very high	86.9	Confident	3 Å²	3	24.7 Å²	24.7	3%	0.025	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-37.5	172.2	0	0	0	0	0	112.1	N539 V542 L543 M571 G572 N578 L579	N539-A575 HydrophobicContact CB-CB 4.34Å; N539-A575 WeakPolarHBondContact CB-O 3.36Å; N539-A575 WeakPolarHBondContact OD1-CA 3.39Å; V542-A575 HydrophobicContact CB-CB 4.13Å; V542-A575 HydrophobicContact CG1-CB 3.77Å; L543-A575 HydrophobicContact CD2-CB 4.24Å; L543-A575 HydrophobicContact CG-CB 4.08Å; M571-A575 WeakPolarHBondContact O-CB 3.06Å; M571-A575 PolarHBondContact O-N 3.07Å; G572-A575 PolarHBondContact O-N 3.29Å; A575-N578 PolarHBondContact O-N 3.21Å; A575-L579 WeakPolarHBondContact O-CB 3.4Å; A575-L579 PolarHBondContact O-N 3.01Å
576	L	91.9	Very high	87.8	Confident	65 Å²	65	23 Å²	23	34%	0.34	12%	0.122	S	C	.	.	H	α-helix	trans	-66	-42.6	174.1	-174	55.6	0	0	0	112.3	L543 G572 L573 L574 L579 L580 W625	L543-L576 HydrophobicContact CD1-CD1 4.38Å; L543-L576 HydrophobicContact CD2-CB 4.13Å; G572-L576 PolarHBondContact O-N 3.14Å; L573-L576 WeakPolarHBondContact O-CB 3.5Å; L573-L576 PolarHBondContact O-N 3.38Å; L574-L576 VanDerWaalsContact C-N 3.32Å; L574-L576 PolarHBondContact O-N 3.13Å; L576-L579 HydrophobicContact CD1-CD2 4.45Å; L576-L579 PolarHBondContact O-N 2.99Å; L576-L580 WeakPolarHBondContact O-CG 3.44Å; L576-L580 PolarHBondContact O-N 3.29Å; L576-L580 VanDerWaalsContact O-N 3.13Å; L576-W625 HydrophobicContact CB-CZ3 4.39Å; L576-W625 HydrophobicContact CD2-CH2 4.11Å; L576-W625 HydrophobicContact CD2-CZ3 4.33Å; L576-W625 HydrophobicContact CG-CH2 4.39Å; L576-W625 HydrophobicContact CG-CZ3 4.15Å
577	A	91.9	Very high	88.8	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.6	-48	174.2	0	0	0	0	0	111.4	L573 L574 L579 L580 T581 S622 W625 L629	L573-A577 PolarHBondContact O-N 3.19Å; L574-A577 PolarHBondContact O-N 3.26Å; A577-L579 VanDerWaalsContact C-N 3.31Å; A577-L579 PolarHBondContact O-N 3.49Å; A577-L580 PolarHBondContact O-N 2.88Å; A577-T581 PolarHBondContact O-N 2.96Å; A577-T581 VanDerWaalsContact O-N 3.17Å; A577-T581 PolarHBondContact O-OG1 2.89Å; A577-S622 WeakPolarHBondContact O-CB 3.37Å; A577-W625 HydrophobicContact CB-CD2 4.22Å; A577-W625 HydrophobicContact CB-CE3 3.62Å; A577-W625 HydrophobicContact CB-CZ3 4.17Å; A577-L629 HydrophobicContact CB-CD1 4.18Å
578	N	92.5	Very high	89.6	Confident	4 Å²	4	24.3 Å²	24.3	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-60.4	-38.4	175.7	-65.2	-28.7	0	0	0	112.5	N539 L574 A575 L580 T581 G582 A802 N805	N539-N578 VanDerWaalsContact CG-CB 3.48Å; N539-N578 WeakPolarHBondContact ND2-CB 3.4Å; N539-N578 VanDerWaalsContact OD1-CB 3.22Å; N539-N578 WeakPolarHBondContact OD1-CB 3.38Å; N539-N578 PolarHBondContact OD1-ND2 3.4Å; L574-N578 WeakPolarHBondContact O-CB 3.28Å; L574-N578 PolarHBondContact O-N 3.45Å; L574-N578 PolarHBondContact O-ND2 3.08Å; L574-N578 VanDerWaalsContact O-ND2 3.14Å; A575-N578 PolarHBondContact O-N 3.21Å; N578-L580 VanDerWaalsContact C-N 3.32Å; N578-L580 PolarHBondContact O-N 3.37Å; N578-T581 WeakPolarHBondContact O-CB 3.5Å; N578-T581 PolarHBondContact O-N 2.91Å; N578-G582 PolarHBondContact O-N 3.26Å; N578-A802 HydrophobicContact CB-CB 3.84Å; N578-N805 WeakPolarHBondContact ND2-CB 3.39Å
579	L	93.9	Very high	90.1	Very high	35 Å²	35	22.3 Å²	22.3	18%	0.183	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-38.7	177	-172.3	73.6	0	0	0	111.7	L536 N539 L543 A575 L576 A577 G582 L583	L536-L579 HydrophobicContact CD2-CD1 3.85Å; N539-L579 HydrophobicContact CB-CB 4.07Å; N539-L579 HydrophobicContact CB-CD1 4.15Å; L543-L579 HydrophobicContact CD1-CD2 3.77Å; A575-L579 WeakPolarHBondContact O-CB 3.4Å; A575-L579 PolarHBondContact O-N 3.01Å; L576-L579 HydrophobicContact CD1-CD2 4.45Å; L576-L579 PolarHBondContact O-N 2.99Å; A577-L579 VanDerWaalsContact C-N 3.31Å; A577-L579 PolarHBondContact O-N 3.49Å; L579-G582 PolarHBondContact O-N 3.12Å; L579-L583 PolarHBondContact O-N 3.09Å
580	L	93.6	Very high	90.5	Very high	39 Å²	39	24.6 Å²	24.6	20%	0.204	14%	0.137	C	C	.	.	H	α-helix	trans	-66.9	-36.6	175.4	-66.5	171.1	0	0	0	112	L576 A577 N578 G582 L583 Y584 L618 F621 W625	L576-L580 WeakPolarHBondContact O-CG 3.44Å; L576-L580 PolarHBondContact O-N 3.29Å; L576-L580 VanDerWaalsContact O-N 3.13Å; A577-L580 PolarHBondContact O-N 2.88Å; N578-L580 VanDerWaalsContact C-N 3.32Å; N578-L580 PolarHBondContact O-N 3.37Å; L580-G582 VanDerWaalsContact C-N 3.34Å; L580-L583 WeakPolarHBondContact O-CB 3.25Å; L580-L583 PolarHBondContact O-N 2.93Å; L580-Y584 PolarHBondContact O-N 3.45Å; L580-L618 HydrophobicContact CB-CD1 4.03Å; L580-L618 HydrophobicContact CD2-CD1 4.01Å; L580-L618 HydrophobicContact CG-CD1 4.49Å; L580-F621 HydrophobicContact CD1-CD1 4.14Å; L580-F621 HydrophobicContact CD1-CE1 3.76Å; L580-W625 HydrophobicContact CD1-CZ3 4.43Å
581	T	91.8	Very high	90.8	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-63.3	-40.2	169.9	-54.6	0	0	0	0	111.3	A577 N578 Y584 V585 S622 F798 P799 A802	A577-T581 PolarHBondContact O-N 2.96Å; A577-T581 VanDerWaalsContact O-N 3.17Å; A577-T581 PolarHBondContact O-OG1 2.89Å; N578-T581 WeakPolarHBondContact O-CB 3.5Å; N578-T581 PolarHBondContact O-N 2.91Å; T581-Y584 PolarHBondContact O-N 3.26Å; T581-V585 WeakPolarHBondContact O-CG2 3.39Å; T581-V585 PolarHBondContact O-N 3.46Å; T581-V585 VanDerWaalsContact O-N 3.11Å; T581-S622 WeakPolarHBondContact CA-OG 3.09Å; T581-S622 PolarHBondContact N-OG 3.14Å; T581-S622 VanDerWaalsContact OG1-CB 3.29Å; T581-S622 WeakPolarHBondContact OG1-CB 3.35Å; T581-S622 PolarHBondContact OG1-OG 3.41Å; T581-F798 HydrophobicContact CG2-CE1 4.46Å; T581-P799 HydrophobicContact CG2-CB 4.16Å; T581-A802 HydrophobicContact CG2-CB 3.87Å
582	G	92.8	Very high	91.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.9	-39.2	172.9	0	0	0	0	0	113.1	S535 N578 L579 L580 V585 G586	S535-G582 WeakPolarHBondContact OG-CA 3.26Å; N578-G582 PolarHBondContact O-N 3.26Å; L579-G582 PolarHBondContact O-N 3.12Å; L580-G582 VanDerWaalsContact C-N 3.34Å; G582-V585 PolarHBondContact O-N 2.99Å; G582-G586 PolarHBondContact O-N 3.32Å
583	L	93.3	Very high	91.3	Very high	89 Å²	89	27 Å²	27	47%	0.466	16%	0.158	S	C	.	.	H	α-helix	trans	-65.4	-41.7	175.1	-177.1	64.8	0	0	0	112.4	L579 L580 V585 G586 I587 L618	L579-L583 PolarHBondContact O-N 3.09Å; L580-L583 WeakPolarHBondContact O-CB 3.25Å; L580-L583 PolarHBondContact O-N 2.93Å; L583-V585 VanDerWaalsContact C-N 3.35Å; L583-V585 PolarHBondContact O-N 3.45Å; L583-G586 WeakPolarHBondContact O-CA 3.48Å; L583-G586 PolarHBondContact O-N 2.85Å; L583-G586 VanDerWaalsContact O-N 3.13Å; L583-I587 WeakPolarHBondContact O-CG1 3.43Å; L583-I587 PolarHBondContact O-N 3.33Å; L583-L618 HydrophobicContact CD2-CD2 4.27Å; L583-L618 HydrophobicContact CG-CD2 4.3Å
584	Y	92.6	Very high	91.2	Very high	8 Å²	8	29.2 Å²	29.2	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-56.7	-46.7	172	155	-105	0	0	0	111.7	L580 T581 G586 I587 L588 T615 A619 L699 L701 F798	L580-Y584 PolarHBondContact O-N 3.45Å; T581-Y584 PolarHBondContact O-N 3.26Å; Y584-G586 VanDerWaalsContact C-N 3.31Å; Y584-G586 PolarHBondContact O-N 3.14Å; Y584-I587 PolarHBondContact O-N 2.94Å; Y584-L588 HydrophobicContact CE1-CD1 4.24Å; Y584-L588 HydrophobicContact CE2-CD1 3.85Å; Y584-L588 HydrophobicContact CE2-CG 4.18Å; Y584-L588 PolarHBondContact O-N 2.89Å; Y584-L588 WeakPolarHBondContact OH-CD1 3.17Å; Y584-T615 HydrophobicContact CD2-CG2 3.62Å; Y584-T615 WeakPolarHBondContact CD2-O 3.36Å; Y584-T615 HydrophobicContact CE2-CG2 3.93Å; Y584-A619 HydrophobicContact CD1-CB 3.93Å; Y584-A619 HydrophobicContact CD2-CB 3.55Å; Y584-A619 HydrophobicContact CE1-CB 4.07Å; Y584-A619 HydrophobicContact CE2-CB 3.7Å; Y584-A619 HydrophobicContact CG-CB 3.66Å; Y584-L699 PolarHBondContact OH-O 2.87Å; Y584-L701 WeakPolarHBondContact OH-CD1 3.11Å; Y584-L701 WeakPolarHBondContact OH-CG 3.3Å; Y584-F798 HydrophobicContact CD1-CE1 4.13Å; Y584-F798 HydrophobicContact CE1-CD1 4.04Å; Y584-F798 AromaticContact CE1-CE1 3.76Å; Y584-F798 HydrophobicContact CE1-CE1 3.76Å
585	V	91.9	Very high	91.1	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.024	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-42.4	174.3	177.7	0	0	0	0	110.8	V528 C532 T581 G582 L583 I587 L588 T589 P799	V528-V585 HydrophobicContact CG1-CG1 3.47Å; V528-V585 VanDerWaalsContact CG1-CG1 3.47Å; C532-V585 HydrophobicContact CB-CG1 3.89Å; T581-V585 WeakPolarHBondContact O-CG2 3.39Å; T581-V585 PolarHBondContact O-N 3.46Å; T581-V585 VanDerWaalsContact O-N 3.11Å; G582-V585 PolarHBondContact O-N 2.99Å; L583-V585 VanDerWaalsContact C-N 3.35Å; L583-V585 PolarHBondContact O-N 3.45Å; V585-I587 VanDerWaalsContact C-N 3.32Å; V585-I587 PolarHBondContact O-N 3.25Å; V585-L588 PolarHBondContact O-N 2.75Å; V585-L588 VanDerWaalsContact O-N 3.12Å; V585-T589 HydrophobicContact CG1-CG2 4.23Å; V585-T589 WeakPolarHBondContact O-CG2 3.29Å; V585-T589 PolarHBondContact O-N 3.17Å; V585-T589 PolarHBondContact O-OG1 3.34Å; V585-P799 HydrophobicContact CG2-CB 3.52Å; V585-P799 HydrophobicContact CG2-CG 3.99Å
586	G	92.1	Very high	90.9	Very high	14 Å²	14	34.5 Å²	34.5	14%	0.144	20%	0.201	C	C	.	.	H	α-helix	trans	-52	-46.6	174.2	0	0	0	0	0	113.1	G582 L583 Y584 L588 T589 V590	G582-G586 PolarHBondContact O-N 3.32Å; L583-G586 WeakPolarHBondContact O-CA 3.48Å; L583-G586 PolarHBondContact O-N 2.85Å; L583-G586 VanDerWaalsContact O-N 3.13Å; Y584-G586 VanDerWaalsContact C-N 3.31Å; Y584-G586 PolarHBondContact O-N 3.14Å; G586-L588 PolarHBondContact O-N 2.81Å; G586-T589 WeakPolarHBondContact CA-OG1 3.13Å; G586-T589 PolarHBondContact O-N 2.93Å; G586-T589 PolarHBondContact O-OG1 2.84Å; G586-V590 WeakPolarHBondContact O-CG2 3.44Å; G586-V590 PolarHBondContact O-N 2.78Å
587	I	91.9	Very high	90.3	Very high	54 Å²	54	33.2 Å²	33.2	28%	0.277	20%	0.204	S	C	.	.	H	α-helix	trans	-59.6	-45.5	177.1	-64.7	164.3	0	0	0	111.1	L583 Y584 V585 T589 V590 L591 W606 T615 L618	L583-I587 WeakPolarHBondContact O-CG1 3.43Å; L583-I587 PolarHBondContact O-N 3.33Å; Y584-I587 PolarHBondContact O-N 2.94Å; V585-I587 VanDerWaalsContact C-N 3.32Å; V585-I587 PolarHBondContact O-N 3.25Å; I587-T589 PolarHBondContact O-N 2.91Å; I587-V590 PolarHBondContact O-N 3.16Å; I587-L591 WeakPolarHBondContact O-CB 3.11Å; I587-L591 PolarHBondContact O-N 3.02Å; I587-W606 HydrophobicContact CG2-CH2 3.97Å; I587-T615 HydrophobicContact CB-CG2 4.29Å; I587-T615 HydrophobicContact CD1-CG2 4.37Å; I587-T615 HydrophobicContact CG2-CG2 3.9Å; I587-L618 HydrophobicContact CD1-CD2 4.01Å
588	L	89.8	Confident	89.9	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-65.4	-36.2	177.6	-66	-177.4	0	0	0	113	Y584 V585 G586 L591 D592 L699 L795	Y584-L588 HydrophobicContact CE1-CD1 4.24Å; Y584-L588 HydrophobicContact CE2-CD1 3.85Å; Y584-L588 HydrophobicContact CE2-CG 4.18Å; Y584-L588 PolarHBondContact O-N 2.89Å; Y584-L588 WeakPolarHBondContact OH-CD1 3.17Å; V585-L588 PolarHBondContact O-N 2.75Å; V585-L588 VanDerWaalsContact O-N 3.12Å; G586-L588 PolarHBondContact O-N 2.81Å; L588-L591 PolarHBondContact O-N 2.65Å; L588-D592 WeakPolarHBondContact O-CB 3.44Å; L588-D592 PolarHBondContact O-N 2.71Å; L588-L699 HydrophobicContact CD1-CD2 4.3Å; L588-L795 HydrophobicContact CD1-CD2 4.4Å
589	T	90	Very high	89.5	Confident	21 Å²	21	35.3 Å²	35.3	13%	0.129	22%	0.218	C	C	.	.	H	α-helix	trans	-70.3	-37.8	177.3	59.6	0	0	0	0	112.8	L519 V528 W529 V585 G586 I587 A593	L519-T589 HydrophobicContact CD1-CG2 4.49Å; V528-T589 HydrophobicContact CG1-CG2 3.67Å; W529-T589 VanDerWaalsContact CD1-CG2 3.49Å; V585-T589 HydrophobicContact CG1-CG2 4.23Å; V585-T589 WeakPolarHBondContact O-CG2 3.29Å; V585-T589 PolarHBondContact O-N 3.17Å; V585-T589 PolarHBondContact O-OG1 3.34Å; G586-T589 WeakPolarHBondContact CA-OG1 3.13Å; G586-T589 PolarHBondContact O-N 2.93Å; G586-T589 PolarHBondContact O-OG1 2.84Å; I587-T589 PolarHBondContact O-N 2.91Å; T589-A593 WeakPolarHBondContact O-CB 3.1Å; T589-A593 PolarHBondContact O-N 3.1Å; T589-A593 VanDerWaalsContact O-N 3.16Å
590	V	90.9	Very high	88.8	Confident	101 Å²	101	34.1 Å²	34.1	61%	0.612	21%	0.213	S	C	*	.	H	α-helix	trans	-66.4	-40	172.8	171.5	0	0	0	0	110.6	G586 I587 A593 A594	G586-V590 WeakPolarHBondContact O-CG2 3.44Å; G586-V590 PolarHBondContact O-N 2.78Å; I587-V590 PolarHBondContact O-N 3.16Å; V590-A593 PolarHBondContact O-N 3.02Å; V590-A594 VanDerWaalsContact O-CB 3.26Å; V590-A594 WeakPolarHBondContact O-CB 3.23Å; V590-A594 PolarHBondContact O-N 3.43Å
591	L	89.6	Confident	88.2	Confident	24 Å²	24	38.4 Å²	38.4	13%	0.126	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-48.2	177.9	-177.7	62.2	0	0	0	112.3	L518 I587 L588 A593 A594 T595 F599 W606	L518-L591 HydrophobicContact CD2-CB 4.23Å; L518-L591 HydrophobicContact CD2-CD2 3.63Å; L518-L591 HydrophobicContact CD2-CG 3.85Å; I587-L591 WeakPolarHBondContact O-CB 3.11Å; I587-L591 PolarHBondContact O-N 3.02Å; L588-L591 PolarHBondContact O-N 2.65Å; L591-A593 VanDerWaalsContact C-N 3.29Å; L591-A593 PolarHBondContact O-N 2.88Å; L591-A594 PolarHBondContact O-N 3.28Å; L591-T595 HydrophobicContact CD1-CG2 3.92Å; L591-T595 WeakPolarHBondContact O-CB 3.42Å; L591-T595 PolarHBondContact O-N 2.92Å; L591-T595 PolarHBondContact O-OG1 2.82Å; L591-F599 HydrophobicContact CD2-CE2 4.43Å; L591-F599 HydrophobicContact CG-CE2 4.49Å; L591-W606 HydrophobicContact CD1-CD2 4.42Å; L591-W606 HydrophobicContact CD1-CE3 4.41Å; L591-W606 HydrophobicContact CD2-CD2 3.62Å; L591-W606 HydrophobicContact CD2-CE3 4.22Å; L591-W606 HydrophobicContact CD2-CG 3.96Å; L591-W606 HydrophobicContact CD2-CH2 4.31Å; L591-W606 HydrophobicContact CD2-CZ2 3.72Å
592	D	89.5	Confident	87.8	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-32.5	177.7	-178.9	72.3	0	0	0	112.8	L518 L519 R525 L588	L518-D592 HydrophobicContact CB-CB 4.08Å; L518-D592 WeakPolarHBondContact CB-OD1 3.07Å; L518-D592 HydrophobicContact CD2-CB 4.4Å; L518-D592 PolarHBondContact N-OD1 2.94Å; L518-D592 VanDerWaalsContact N-OD1 3.08Å; L519-D592 HydrophobicContact CB-CB 4.46Å; L519-D592 HydrophobicContact CD1-CB 3.85Å; L519-D592 HydrophobicContact CG-CB 3.81Å; L519-D592 PolarHBondContact N-OD1 2.88Å; R525-D592 IonicContact CZ-OD1 3.71Å; R525-D592 IonicContact CZ-OD2 3.7Å; R525-D592 IonicContact NE-OD1 3.35Å; R525-D592 IonicContact NE-OD2 3.67Å; R525-D592 PolarHBondContact NE-OD2 2.92Å; R525-D592 VanDerWaalsContact NH2-CG 3.34Å; R525-D592 IonicContact NH2-OD1 2.72Å; R525-D592 PolarHBondContact NH2-OD1 2.74Å; R525-D592 IonicContact NH2-OD2 2.77Å; R525-D592 PolarHBondContact NH2-OD2 2.86Å; R525-D592 VanDerWaalsContact NH2-OD2 3.11Å; L588-D592 WeakPolarHBondContact O-CB 3.44Å; L588-D592 PolarHBondContact O-N 2.71Å
593	A	88.1	Confident	87.1	Confident	57 Å²	57	43.2 Å²	43.2	47%	0.471	25%	0.253	S	S	.	.	H	α-helix	trans	-73.1	-39.7	172.7	0	0	0	0	0	112.9	T589 V590 L591	T589-A593 WeakPolarHBondContact O-CB 3.1Å; T589-A593 PolarHBondContact O-N 3.1Å; T589-A593 VanDerWaalsContact O-N 3.16Å; V590-A593 PolarHBondContact O-N 3.02Å; L591-A593 VanDerWaalsContact C-N 3.29Å; L591-A593 PolarHBondContact O-N 2.88Å
594	A	88.6	Confident	86.4	Confident	80 Å²	80	39.1 Å²	39.1	66%	0.661	23%	0.232	S	C	*	.	H	α-helix	trans	-75.5	-21.6	-178.5	0	0	0	0	0	114	V590 L591	V590-A594 VanDerWaalsContact O-CB 3.26Å; V590-A594 WeakPolarHBondContact O-CB 3.23Å; V590-A594 PolarHBondContact O-N 3.43Å; L591-A594 PolarHBondContact O-N 3.28Å
595	T	87.3	Confident	86	Confident	8 Å²	8	47.6 Å²	47.6	5%	0.049	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	22.2	-177.2	56.5	0	0	0	0	112.8	L591 G597 S598 F599 F602	L591-T595 HydrophobicContact CD1-CG2 3.92Å; L591-T595 WeakPolarHBondContact O-CB 3.42Å; L591-T595 PolarHBondContact O-N 2.92Å; L591-T595 PolarHBondContact O-OG1 2.82Å; T595-G597 PolarHBondContact O-N 3.39Å; T595-S598 PolarHBondContact O-N 3Å; T595-F599 HydrophobicContact CG2-CD2 4.3Å; T595-F599 PolarHBondContact O-N 2.77Å; T595-F599 WeakPolarHBondContact OG1-CD2 3.47Å; T595-F602 HydrophobicContact CG2-CB 3.93Å; T595-F602 HydrophobicContact CG2-CD2 4.28Å; T595-F602 HydrophobicContact CG2-CG 4.19Å
596	W	84.9	Confident	85.7	Confident	111 Å²	111	48.7 Å²	48.7	42%	0.42	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	108.2	-169	-172.4	-78.2	0	0	0	113.3	H517 W522 R525	H517-W596 AromaticContact CE1-CE2 3.8Å; H517-W596 AromaticContact CE1-NE1 3.7Å; W522-W596 AromaticContact CE2-CH2 3.89Å; W522-W596 AromaticContact CH2-CH2 3.54Å; W522-W596 HydrophobicContact CH2-CH2 3.54Å; W522-W596 HydrophobicContact CH2-CZ2 4.18Å; W522-W596 HydrophobicContact CH2-CZ3 4.39Å; W522-W596 AromaticContact CZ2-CH2 3.38Å; W522-W596 HydrophobicContact CZ2-CH2 3.38Å; W522-W596 AromaticContact CZ2-CZ2 3.65Å; W522-W596 HydrophobicContact CZ2-CZ2 3.65Å; W522-W596 HydrophobicContact CZ3-CH2 4.18Å; R525-W596 VanDerWaalsContact CZ-CH2 3.4Å
597	G	80.5	Confident	85.1	Confident	39 Å²	39	48.4 Å²	48.4	40%	0.402	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	-10.8	175.5	0	0	0	0	0	114.4	E516 T595	E516-G597 CarbonylContact O-C 3.52Å; E516-G597 WeakPolarHBondContact O-CA 3.19Å; E516-G597 PolarHBondContact O-N 2.89Å; T595-G597 PolarHBondContact O-N 3.39Å
598	S	82.6	Confident	84.3	Confident	41 Å²	41	49 Å²	49	29%	0.287	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	28	-177.6	62.3	0	0	0	0	113.8	T595 A600 E601	T595-S598 PolarHBondContact O-N 3Å; S598-A600 PolarHBondContact O-N 3.16Å; S598-E601 PolarHBondContact O-N 3.09Å
599	F	83.6	Confident	83.8	Confident	6 Å²	6	49.1 Å²	49.1	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-50.2	-35.7	-177	-173.6	-97.3	0	0	0	113.9	P514 C515 L518 L591 T595 E601 F602 G603 P698	P514-F599 HydrophobicContact CG-CD1 4.21Å; P514-F599 WeakPolarHBondContact O-CD1 3.43Å; C515-F599 PolarHBondContact O-N 3.25Å; L518-F599 HydrophobicContact CB-CD2 4.03Å; L518-F599 HydrophobicContact CB-CE2 4.22Å; L518-F599 HydrophobicContact CB-CG 4.47Å; L518-F599 HydrophobicContact CD1-CE1 4.39Å; L518-F599 HydrophobicContact CD1-CE2 4.1Å; L518-F599 HydrophobicContact CD1-CZ 3.99Å; L518-F599 HydrophobicContact CD2-CE2 4.2Å; L518-F599 HydrophobicContact CG-CE2 4.41Å; L591-F599 HydrophobicContact CD2-CE2 4.43Å; L591-F599 HydrophobicContact CG-CE2 4.49Å; T595-F599 HydrophobicContact CG2-CD2 4.3Å; T595-F599 PolarHBondContact O-N 2.77Å; T595-F599 WeakPolarHBondContact OG1-CD2 3.47Å; F599-E601 PolarHBondContact O-N 3.39Å; F599-F602 PolarHBondContact O-N 2.72Å; F599-F602 VanDerWaalsContact O-N 3.08Å; F599-G603 PolarHBondContact O-N 2.72Å; F599-P698 HydrophobicContact CE1-CB 3.9Å; F599-P698 HydrophobicContact CE1-CG 4.01Å; F599-P698 HydrophobicContact CZ-CB 3.47Å; F599-P698 VanDerWaalsContact CZ-CB 3.47Å; F599-P698 HydrophobicContact CZ-CG 4.05Å
600	A	80.4	Confident	83.4	Confident	11 Å²	11	52.1 Å²	52.1	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-55.2	-31	177.2	0	0	0	0	0	114.9	C470 C515 S598	C470-A600 HydrophobicContact CB-CB 3.67Å; C515-A600 WeakPolarHBondContact O-CB 3.31Å; C515-A600 PolarHBondContact O-N 3.02Å; S598-A600 PolarHBondContact O-N 3.16Å
601	E	80.4	Confident	83.1	Confident	128 Å²	128	48.7 Å²	48.7	60%	0.598	27%	0.272	S	S	*	.	H	α-helix	trans	-73.4	-30.1	179.4	-59.7	-175.6	146.7	0	0	112	S598 F599	S598-E601 PolarHBondContact O-N 3.09Å; F599-E601 PolarHBondContact O-N 3.39Å
602	F	82.3	Confident	82.9	Confident	105 Å²	105	47.6 Å²	47.6	46%	0.461	27%	0.267	S	S	.	.	H	α-helix	trans	-107.2	-25.7	-172.8	-63.8	-83.7	0	0	0	113.9	T595 F599 A604 W605 W606	T595-F602 HydrophobicContact CG2-CB 3.93Å; T595-F602 HydrophobicContact CG2-CD2 4.28Å; T595-F602 HydrophobicContact CG2-CG 4.19Å; F599-F602 PolarHBondContact O-N 2.72Å; F599-F602 VanDerWaalsContact O-N 3.08Å; F602-A604 PolarHBondContact O-N 2.84Å; F602-A604 VanDerWaalsContact O-N 3.13Å; F602-W605 PolarHBondContact O-N 2.93Å; F602-W606 PolarHBondContact O-N 3.05Å
603	G	79.9	Confident	82.6	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-54.5	-33.5	178.3	0	0	0	0	0	112.5	F599 W605 W606 E607	F599-G603 PolarHBondContact O-N 2.72Å; G603-W605 VanDerWaalsContact C-N 3.33Å; G603-W605 PolarHBondContact O-N 3.27Å; G603-W606 PolarHBondContact O-N 2.8Å; G603-E607 WeakPolarHBondContact O-CB 3.37Å; G603-E607 WeakPolarHBondContact O-CG 3.49Å; G603-E607 PolarHBondContact O-N 2.85Å
604	A	77.6	Confident	82.4	Confident	4 Å²	4	55.1 Å²	55.1	3%	0.033	30%	0.295	C	S	.	.	H	α-helix	trans	-49.7	-48.5	170.2	0	0	0	0	0	115.3	Y467 F602	Y467-A604 HydrophobicContact CD1-CB 4.43Å; Y467-A604 HydrophobicContact CD2-CB 3.84Å; Y467-A604 HydrophobicContact CE1-CB 3.85Å; Y467-A604 HydrophobicContact CE2-CB 3.2Å; Y467-A604 HydrophobicContact CG-CB 4.42Å; Y467-A604 VanDerWaalsContact OH-CA 3.29Å; Y467-A604 WeakPolarHBondContact OH-CA 3.22Å; Y467-A604 VanDerWaalsContact OH-CB 3.25Å; Y467-A604 WeakPolarHBondContact OH-CB 3.41Å; F602-A604 PolarHBondContact O-N 2.84Å; F602-A604 VanDerWaalsContact O-N 3.13Å
605	W	83.4	Confident	82.4	Confident	185 Å²	185	51.5 Å²	51.5	70%	0.701	26%	0.264	S	S	*	.	H	α-helix	trans	-87.2	-28.4	-174.4	-174.2	95.8	0	0	0	110.7	F602 G603 G609	F602-W605 PolarHBondContact O-N 2.93Å; G603-W605 VanDerWaalsContact C-N 3.33Å; G603-W605 PolarHBondContact O-N 3.27Å; W605-G609 VanDerWaalsContact O-CA 3.27Å; W605-G609 WeakPolarHBondContact O-CA 3.2Å; W605-G609 PolarHBondContact O-N 2.88Å; W605-G609 VanDerWaalsContact O-N 3.15Å
606	W	85.4	Confident	82.3	Confident	27 Å²	27	51.5 Å²	51.5	10%	0.102	27%	0.266	C	S	.	.	H	α-helix	trans	-69.8	-58	174	-179.4	-109.6	0	0	0	112.9	I587 L591 F602 G603 M608 G609 C612 T615 P698 C700	I587-W606 HydrophobicContact CG2-CH2 3.97Å; L591-W606 HydrophobicContact CD1-CD2 4.42Å; L591-W606 HydrophobicContact CD1-CE3 4.41Å; L591-W606 HydrophobicContact CD2-CD2 3.62Å; L591-W606 HydrophobicContact CD2-CE3 4.22Å; L591-W606 HydrophobicContact CD2-CG 3.96Å; L591-W606 HydrophobicContact CD2-CH2 4.31Å; L591-W606 HydrophobicContact CD2-CZ2 3.72Å; F602-W606 PolarHBondContact O-N 3.05Å; G603-W606 PolarHBondContact O-N 2.8Å; W606-M608 VanDerWaalsContact C-N 3.27Å; W606-M608 PolarHBondContact O-N 3.13Å; W606-G609 PolarHBondContact O-N 3.12Å; W606-C612 HydrophobicContact CD2-CB 4Å; W606-C612 HydrophobicContact CG-CB 4.33Å; W606-C612 HydrophobicContact CZ2-CB 4.03Å; W606-C612 WeakPolarHBondContact O-CB 3.44Å; W606-T615 HydrophobicContact CZ2-CG2 4.32Å; W606-P698 PolarHBondContact NE1-O 3.08Å; W606-C700 VanDerWaalsContact CE2-SG 3.58Å; W606-C700 VanDerWaalsContact CZ2-SG 3.53Å; W606-C700 PolarHBondContact NE1-SG 3.3Å
607	E	79.8	Confident	82.3	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-58.2	-38.6	-177	-71.9	-173.3	149.6	0	0	112.5	K513 G603 S695 P698	K513-E607 VanDerWaalsContact CE-OE1 3.24Å; K513-E607 WeakPolarHBondContact CE-OE1 3.35Å; K513-E607 IonicContact NZ-OE1 2.65Å; K513-E607 PolarHBondContact NZ-OE1 3.21Å; K513-E607 IonicContact NZ-OE2 2.72Å; K513-E607 PolarHBondContact NZ-OE2 3.48Å; G603-E607 WeakPolarHBondContact O-CB 3.37Å; G603-E607 WeakPolarHBondContact O-CG 3.49Å; G603-E607 PolarHBondContact O-N 2.85Å; E607-S695 WeakPolarHBondContact CA-OG 3.48Å; E607-S695 PolarHBondContact O-OG 3.13Å; E607-P698 HydrophobicContact CG-CB 4.2Å; E607-P698 WeakPolarHBondContact OE1-CD 3.15Å
608	M	75.4	Confident	82.8	Confident	67 Å²	67	46.8 Å²	46.8	33%	0.33	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	8	178.8	-57.9	-57.3	-59.1	0	0	113.3	Y465 W606	Y465-M608 HydrophobicContact CE1-CG 4.14Å; Y465-M608 HydrophobicContact CE1-SD 4.15Å; W606-M608 VanDerWaalsContact C-N 3.27Å; W606-M608 PolarHBondContact O-N 3.13Å
609	G	79.9	Confident	83	Confident	6 Å²	6	44.8 Å²	44.8	6%	0.062	23%	0.228	C	C	.	.	S	Bend	trans	-102.2	152.1	-173.2	0	0	0	0	0	113.6	W605 W606 G611 C612 Q613	W605-G609 VanDerWaalsContact O-CA 3.27Å; W605-G609 WeakPolarHBondContact O-CA 3.2Å; W605-G609 PolarHBondContact O-N 2.88Å; W605-G609 VanDerWaalsContact O-N 3.15Å; W606-G609 PolarHBondContact O-N 3.12Å; G609-G611 PolarHBondContact O-N 2.8Å; G609-C612 PolarHBondContact O-N 2.6Å; G609-Q613 PolarHBondContact O-N 2.96Å
610	P	81.4	Confident	83.2	Confident	84 Å²	84	45.1 Å²	45.1	55%	0.545	23%	0.231	S	C	.	.	H	α-helix	trans	-62.7	-24	176.7	27	-34.9	0	0	0	112.4	C612 Q613 I614	P610-C612 PolarHBondContact O-N 3.29Å; P610-Q613 PolarHBondContact O-N 2.7Å; P610-I614 WeakPolarHBondContact O-CB 3.48Å; P610-I614 WeakPolarHBondContact O-CD1 3.48Å; P610-I614 VanDerWaalsContact O-CG1 3.26Å; P610-I614 WeakPolarHBondContact O-CG1 3.46Å; P610-I614 PolarHBondContact O-N 3.27Å
611	G	85.1	Confident	83.7	Confident	29 Å²	29	46.9 Å²	46.9	30%	0.299	24%	0.236	S	C	.	.	H	α-helix	trans	-58.2	-45.7	174.1	0	0	0	0	0	112.6	G609 T615	G609-G611 PolarHBondContact O-N 2.8Å; G611-T615 VanDerWaalsContact O-CB 3.29Å; G611-T615 WeakPolarHBondContact O-CB 3.13Å; G611-T615 PolarHBondContact O-N 3.31Å; G611-T615 PolarHBondContact O-OG1 3.33Å
612	C	85.3	Confident	84.2	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-70.6	-41.7	177.6	-172.1	0	0	0	0	111.5	W606 G609 P610 I614 T615 G616 C700	W606-C612 HydrophobicContact CD2-CB 4Å; W606-C612 HydrophobicContact CG-CB 4.33Å; W606-C612 HydrophobicContact CZ2-CB 4.03Å; W606-C612 WeakPolarHBondContact O-CB 3.44Å; G609-C612 PolarHBondContact O-N 2.6Å; P610-C612 PolarHBondContact O-N 3.29Å; C612-I614 PolarHBondContact O-N 2.95Å; C612-T615 PolarHBondContact O-N 3.06Å; C612-T615 VanDerWaalsContact O-N 3.14Å; C612-G616 PolarHBondContact O-N 2.98Å; C612-C700 WeakPolarHBondContact CA-SG 3.25Å; C612-C700 HydrophobicContact CB-CB 4.22Å; C612-C700 WeakPolarHBondContact CB-SG 3.05Å; C612-C700 VanDerWaalsContact O-CB 3.25Å; C612-C700 WeakPolarHBondContact O-CB 3.27Å; C612-C700 WeakPolarHBondContact SG-CA 3.47Å; C612-C700 WeakPolarHBondContact SG-CB 3.24Å; C612-C700 CovalentContact SG-SG 2.04Å; C612-C700 PolarHBondContact SG-SG 3.42Å
613	Q	81.8	Confident	84.5	Confident	99 Å²	99	36.8 Å²	36.8	46%	0.463	19%	0.193	S	C	.	.	H	α-helix	trans	-56.2	-46.9	176.1	-66	176.5	-17.9	0	0	112.6	G609 P610 G616 A617 L688	G609-Q613 PolarHBondContact O-N 2.96Å; P610-Q613 PolarHBondContact O-N 2.7Å; Q613-G616 PolarHBondContact O-N 3.47Å; Q613-A617 WeakPolarHBondContact O-CB 3.39Å; Q613-A617 PolarHBondContact O-N 3.26Å; Q613-L688 HydrophobicContact CB-CD2 3.95Å
614	I	85.6	Confident	84.9	Confident	117 Å²	117	37.2 Å²	37.2	60%	0.6	20%	0.195	S	C	*	.	H	α-helix	trans	-65.8	-40.9	176.7	-66.9	164.7	0	0	0	111	P610 C612 A617 L618	P610-I614 WeakPolarHBondContact O-CB 3.48Å; P610-I614 WeakPolarHBondContact O-CD1 3.48Å; P610-I614 VanDerWaalsContact O-CG1 3.26Å; P610-I614 WeakPolarHBondContact O-CG1 3.46Å; P610-I614 PolarHBondContact O-N 3.27Å; C612-I614 PolarHBondContact O-N 2.95Å; I614-A617 PolarHBondContact O-N 3.26Å; I614-L618 WeakPolarHBondContact O-CB 3.14Å; I614-L618 PolarHBondContact O-N 3.27Å
615	T	88.5	Confident	85.5	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-39.5	179.4	-58.8	0	0	0	0	111.9	Y584 I587 W606 G611 C612 A619 C700	Y584-T615 HydrophobicContact CD2-CG2 3.62Å; Y584-T615 WeakPolarHBondContact CD2-O 3.36Å; Y584-T615 HydrophobicContact CE2-CG2 3.93Å; I587-T615 HydrophobicContact CB-CG2 4.29Å; I587-T615 HydrophobicContact CD1-CG2 4.37Å; I587-T615 HydrophobicContact CG2-CG2 3.9Å; W606-T615 HydrophobicContact CZ2-CG2 4.32Å; G611-T615 VanDerWaalsContact O-CB 3.29Å; G611-T615 WeakPolarHBondContact O-CB 3.13Å; G611-T615 PolarHBondContact O-N 3.31Å; G611-T615 PolarHBondContact O-OG1 3.33Å; C612-T615 PolarHBondContact O-N 3.06Å; C612-T615 VanDerWaalsContact O-N 3.14Å; T615-A619 PolarHBondContact O-N 3.13Å; T615-A619 VanDerWaalsContact O-N 3.17Å; T615-C700 HydrophobicContact CG2-CB 4.44Å
616	G	85.1	Confident	85.8	Confident	7 Å²	7	30 Å²	30	7%	0.072	17%	0.169	C	C	.	.	H	α-helix	trans	-67.5	-45.9	174.1	0	0	0	0	0	113.1	C612 Q613 L618 A619 V620 C700	C612-G616 PolarHBondContact O-N 2.98Å; Q613-G616 PolarHBondContact O-N 3.47Å; G616-L618 VanDerWaalsContact C-N 3.33Å; G616-L618 PolarHBondContact O-N 2.93Å; G616-A619 PolarHBondContact O-N 2.65Å; G616-V620 PolarHBondContact O-N 2.69Å; G616-C700 WeakPolarHBondContact CA-O 3.26Å
617	A	85.4	Confident	86	Confident	20 Å²	20	29 Å²	29	17%	0.165	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-39.7	176.3	0	0	0	0	0	112.1	Q613 I614 F621 A684 L688	Q613-A617 WeakPolarHBondContact O-CB 3.39Å; Q613-A617 PolarHBondContact O-N 3.26Å; I614-A617 PolarHBondContact O-N 3.26Å; A617-F621 WeakPolarHBondContact O-CB 3.32Å; A617-F621 PolarHBondContact O-N 3.26Å; A617-A684 WeakPolarHBondContact O-CB 3.44Å; A617-L688 HydrophobicContact CB-CD1 4.16Å
618	L	89.4	Confident	86.5	Confident	31 Å²	31	30 Å²	30	16%	0.162	17%	0.171	C	C	.	.	H	α-helix	trans	-58.7	-47	173.4	175.8	64.1	0	0	0	111.8	L580 L583 I587 I614 G616 F621 S622	L580-L618 HydrophobicContact CB-CD1 4.03Å; L580-L618 HydrophobicContact CD2-CD1 4.01Å; L580-L618 HydrophobicContact CG-CD1 4.49Å; L583-L618 HydrophobicContact CD2-CD2 4.27Å; L583-L618 HydrophobicContact CG-CD2 4.3Å; I587-L618 HydrophobicContact CD1-CD2 4.01Å; I614-L618 WeakPolarHBondContact O-CB 3.14Å; I614-L618 PolarHBondContact O-N 3.27Å; G616-L618 VanDerWaalsContact C-N 3.33Å; G616-L618 PolarHBondContact O-N 2.93Å; L618-F621 PolarHBondContact O-N 2.87Å; L618-S622 WeakPolarHBondContact O-CB 3.15Å; L618-S622 PolarHBondContact O-N 2.8Å; L618-S622 PolarHBondContact O-OG 3.2Å
619	A	88	Confident	87.1	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-46.1	-178.4	0	0	0	0	0	112.7	Y584 T615 G616 S622 S623 L701 F798	Y584-A619 HydrophobicContact CD1-CB 3.93Å; Y584-A619 HydrophobicContact CD2-CB 3.55Å; Y584-A619 HydrophobicContact CE1-CB 4.07Å; Y584-A619 HydrophobicContact CE2-CB 3.7Å; Y584-A619 HydrophobicContact CG-CB 3.66Å; T615-A619 PolarHBondContact O-N 3.13Å; T615-A619 VanDerWaalsContact O-N 3.17Å; G616-A619 PolarHBondContact O-N 2.65Å; A619-S622 PolarHBondContact O-OG 3.21Å; A619-S623 PolarHBondContact O-N 2.88Å; A619-S623 VanDerWaalsContact O-N 3.09Å; A619-S623 PolarHBondContact O-OG 3.04Å; A619-L701 HydrophobicContact CB-CD2 3.64Å; A619-F798 HydrophobicContact CB-CE1 4.28Å; A619-F798 HydrophobicContact CB-CZ 4.32Å
620	V	87.1	Confident	87.5	Confident	12 Å²	12	26.8 Å²	26.8	7%	0.073	15%	0.153	C	C	.	.	H	α-helix	trans	-64.8	-46.3	176.7	175.8	0	0	0	0	110.1	G616 S622 S623 E624 A684 P702 L717	G616-V620 PolarHBondContact O-N 2.69Å; V620-S622 VanDerWaalsContact C-N 3.34Å; V620-S622 PolarHBondContact O-N 2.8Å; V620-S623 PolarHBondContact O-N 3.07Å; V620-S623 PolarHBondContact O-OG 2.83Å; V620-E624 HydrophobicContact CG1-CG 3.98Å; V620-E624 WeakPolarHBondContact O-CB 3.39Å; V620-E624 VanDerWaalsContact O-CG 3.29Å; V620-E624 WeakPolarHBondContact O-CG 3.38Å; V620-E624 PolarHBondContact O-N 3.32Å; V620-A684 HydrophobicContact CB-CB 4.19Å; V620-A684 HydrophobicContact CG1-CB 4.09Å; V620-P702 HydrophobicContact CG2-CG 4.47Å; V620-L717 HydrophobicContact CG1-CD1 3.99Å; V620-L717 HydrophobicContact CG1-CD2 4.05Å; V620-L717 HydrophobicContact CG2-CD1 4.45Å
621	F	90.4	Very high	87.8	Confident	48 Å²	48	23.2 Å²	23.2	21%	0.211	13%	0.131	C	C	.	.	H	α-helix	trans	-57.7	-46.8	179.2	172.5	-112.2	0	0	0	112	L580 A617 L618 W625 A680 A681 A684	L580-F621 HydrophobicContact CD1-CD1 4.14Å; L580-F621 HydrophobicContact CD1-CE1 3.76Å; A617-F621 WeakPolarHBondContact O-CB 3.32Å; A617-F621 PolarHBondContact O-N 3.26Å; L618-F621 PolarHBondContact O-N 2.87Å; F621-W625 HydrophobicContact CE1-CE3 4.1Å; F621-W625 HydrophobicContact CE2-CB 4.43Å; F621-W625 HydrophobicContact CZ-CD2 4.15Å; F621-W625 AromaticContact CZ-CE3 3.91Å; F621-W625 HydrophobicContact CZ-CE3 3.91Å; F621-W625 HydrophobicContact CZ-CG 4.49Å; F621-W625 HydrophobicContact CZ-CZ3 4.45Å; F621-W625 WeakPolarHBondContact O-CB 3.46Å; F621-W625 PolarHBondContact O-N 3.36Å; F621-A680 HydrophobicContact CD2-CB 4Å; F621-A680 HydrophobicContact CE2-CB 4.14Å; F621-A681 HydrophobicContact CD2-CB 4.04Å; F621-A681 HydrophobicContact CE2-CB 3.97Å; F621-A684 HydrophobicContact CB-CB 3.72Å
622	S	91.1	Very high	87.9	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.3	-36.6	-176.8	71.2	0	0	0	0	112.7	A577 T581 L618 A619 V620 S626	A577-S622 WeakPolarHBondContact O-CB 3.37Å; T581-S622 WeakPolarHBondContact CA-OG 3.09Å; T581-S622 PolarHBondContact N-OG 3.14Å; T581-S622 VanDerWaalsContact OG1-CB 3.29Å; T581-S622 WeakPolarHBondContact OG1-CB 3.35Å; T581-S622 PolarHBondContact OG1-OG 3.41Å; L618-S622 WeakPolarHBondContact O-CB 3.15Å; L618-S622 PolarHBondContact O-N 2.8Å; L618-S622 PolarHBondContact O-OG 3.2Å; A619-S622 PolarHBondContact O-OG 3.21Å; V620-S622 VanDerWaalsContact C-N 3.34Å; V620-S622 PolarHBondContact O-N 2.8Å; S622-S626 WeakPolarHBondContact O-CB 3.36Å; S622-S626 PolarHBondContact O-N 3.33Å; S622-S626 PolarHBondContact O-OG 3.42Å
623	S	88.4	Confident	87.9	Confident	21 Å²	21	23.3 Å²	23.3	15%	0.147	13%	0.127	C	C	.	.	H	α-helix	trans	-68.6	-54.5	174.8	64.2	0	0	0	0	111.9	A619 V620 W625 S626 V627	A619-S623 PolarHBondContact O-N 2.88Å; A619-S623 VanDerWaalsContact O-N 3.09Å; A619-S623 PolarHBondContact O-OG 3.04Å; V620-S623 PolarHBondContact O-N 3.07Å; V620-S623 PolarHBondContact O-OG 2.83Å; S623-W625 VanDerWaalsContact C-N 3.3Å; S623-W625 PolarHBondContact O-N 3.3Å; S623-S626 PolarHBondContact O-N 2.96Å; S623-S626 VanDerWaalsContact O-N 3.12Å; S623-S626 PolarHBondContact O-OG 3.28Å; S623-V627 PolarHBondContact O-N 3.31Å
624	E	88.1	Confident	88	Confident	11 Å²	11	18.6 Å²	18.6	5%	0.051	11%	0.105	C	C	.	.	H	α-helix	trans	-57.5	-44.2	-178.7	-65.4	-51.7	122.6	0	0	111.2	V620 S626 V627 L628 A680 L717 L720 N721	V620-E624 HydrophobicContact CG1-CG 3.98Å; V620-E624 WeakPolarHBondContact O-CB 3.39Å; V620-E624 VanDerWaalsContact O-CG 3.29Å; V620-E624 WeakPolarHBondContact O-CG 3.38Å; V620-E624 PolarHBondContact O-N 3.32Å; E624-S626 PolarHBondContact O-N 3.03Å; E624-V627 PolarHBondContact O-N 2.95Å; E624-L628 VanDerWaalsContact O-CG 3.3Å; E624-L628 WeakPolarHBondContact O-CG 3.44Å; E624-L628 PolarHBondContact O-N 3Å; E624-L628 VanDerWaalsContact O-N 3.08Å; E624-A680 HydrophobicContact CB-CB 3.89Å; E624-L717 HydrophobicContact CG-CD2 4.07Å; E624-L720 WeakPolarHBondContact OE2-CD2 3.36Å; E624-N721 PolarHBondContact OE1-ND2 3.02Å; E624-N721 PolarHBondContact OE2-ND2 2.96Å
625	W	91.2	Very high	88	Confident	24 Å²	24	14.9 Å²	14.9	9%	0.091	9%	0.087	C	C	.	.	H	α-helix	trans	-65.3	-39.1	179.9	-167.4	37.8	0	0	0	111.9	L573 L576 A577 L580 F621 S623 V627 L628 L629 G677 A680	L573-W625 HydrophobicContact CB-CZ2 4.36Å; L573-W625 HydrophobicContact CD2-CH2 4.01Å; L573-W625 HydrophobicContact CD2-CZ2 4.01Å; L576-W625 HydrophobicContact CB-CZ3 4.39Å; L576-W625 HydrophobicContact CD2-CH2 4.11Å; L576-W625 HydrophobicContact CD2-CZ3 4.33Å; L576-W625 HydrophobicContact CG-CH2 4.39Å; L576-W625 HydrophobicContact CG-CZ3 4.15Å; A577-W625 HydrophobicContact CB-CD2 4.22Å; A577-W625 HydrophobicContact CB-CE3 3.62Å; A577-W625 HydrophobicContact CB-CZ3 4.17Å; L580-W625 HydrophobicContact CD1-CZ3 4.43Å; F621-W625 HydrophobicContact CE1-CE3 4.1Å; F621-W625 HydrophobicContact CE2-CB 4.43Å; F621-W625 HydrophobicContact CZ-CD2 4.15Å; F621-W625 AromaticContact CZ-CE3 3.91Å; F621-W625 HydrophobicContact CZ-CE3 3.91Å; F621-W625 HydrophobicContact CZ-CG 4.49Å; F621-W625 HydrophobicContact CZ-CZ3 4.45Å; F621-W625 WeakPolarHBondContact O-CB 3.46Å; F621-W625 PolarHBondContact O-N 3.36Å; S623-W625 VanDerWaalsContact C-N 3.3Å; S623-W625 PolarHBondContact O-N 3.3Å; W625-V627 PolarHBondContact O-N 2.93Å; W625-L628 PolarHBondContact O-N 2.87Å; W625-L629 HydrophobicContact CD2-CD1 3.84Å; W625-L629 HydrophobicContact CE3-CD1 4.46Å; W625-L629 HydrophobicContact CG-CD1 4Å; W625-L629 HydrophobicContact CG-CG 4.35Å; W625-L629 HydrophobicContact CZ2-CD1 4.21Å; W625-L629 WeakPolarHBondContact O-CB 3.14Å; W625-L629 WeakPolarHBondContact O-CD1 3.48Å; W625-L629 WeakPolarHBondContact O-CG 3.29Å; W625-L629 PolarHBondContact O-N 3.47Å; W625-G677 VanDerWaalsContact CD1-CA 3.44Å; W625-A680 HydrophobicContact CB-CB 3.93Å
626	S	90.4	Very high	87.8	Confident	13 Å²	13	15.4 Å²	15.4	9%	0.091	9%	0.089	C	C	.	.	H	α-helix	trans	-61.4	-42	177.6	74.7	0	0	0	0	112.7	S622 S623 E624 L629 L630	S622-S626 WeakPolarHBondContact O-CB 3.36Å; S622-S626 PolarHBondContact O-N 3.33Å; S622-S626 PolarHBondContact O-OG 3.42Å; S623-S626 PolarHBondContact O-N 2.96Å; S623-S626 VanDerWaalsContact O-N 3.12Å; S623-S626 PolarHBondContact O-OG 3.28Å; E624-S626 PolarHBondContact O-N 3.03Å; S626-L629 PolarHBondContact O-N 2.79Å; S626-L630 WeakPolarHBondContact O-CB 3.26Å; S626-L630 PolarHBondContact O-N 2.8Å
627	V	89.1	Confident	87.5	Confident	6 Å²	6	17.9 Å²	17.9	4%	0.036	10%	0.096	C	C	.	.	H	α-helix	trans	-70.1	-41.8	179.8	180	0	0	0	0	111.4	S623 E624 W625 L630 A631 N721 A724 Y725	S623-V627 PolarHBondContact O-N 3.31Å; E624-V627 PolarHBondContact O-N 2.95Å; W625-V627 PolarHBondContact O-N 2.93Å; V627-L630 PolarHBondContact O-N 3.17Å; V627-A631 PolarHBondContact O-N 2.84Å; V627-N721 WeakPolarHBondContact CG2-OD1 3.12Å; V627-A724 HydrophobicContact CG1-CB 3.76Å; V627-Y725 HydrophobicContact CG1-CD2 4.28Å; V627-Y725 HydrophobicContact CG1-CE1 4.39Å; V627-Y725 HydrophobicContact CG1-CE2 3.96Å; V627-Y725 HydrophobicContact CG2-CE2 4.06Å; V627-Y725 WeakPolarHBondContact CG2-OH 3.39Å
628	L	89.3	Confident	87.2	Confident	29 Å²	29	17.2 Å²	17.2	15%	0.152	9%	0.09	C	C	.	.	H	α-helix	trans	-67.2	-36	176.6	-66	175.3	0	0	0	112.6	E624 W625 A631 L632 L676 A680	E624-L628 VanDerWaalsContact O-CG 3.3Å; E624-L628 WeakPolarHBondContact O-CG 3.44Å; E624-L628 PolarHBondContact O-N 3Å; E624-L628 VanDerWaalsContact O-N 3.08Å; W625-L628 PolarHBondContact O-N 2.87Å; L628-A631 PolarHBondContact O-N 3.41Å; L628-L632 PolarHBondContact O-N 2.94Å; L628-L676 HydrophobicContact CB-CB 4.11Å; L628-L676 HydrophobicContact CB-CD1 4.29Å; L628-L676 HydrophobicContact CB-CD2 4.26Å; L628-L676 HydrophobicContact CB-CG 4.45Å; L628-L676 HydrophobicContact CD1-CB 4.38Å; L628-L676 HydrophobicContact CD1-CD2 4.27Å; L628-L676 HydrophobicContact CD2-CD2 4.3Å; L628-A680 HydrophobicContact CD1-CB 4.47Å
629	L	89.4	Confident	86.6	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-66.8	-38.7	173	-69.1	168.7	0	0	0	111.7	L570 L573 A577 W625 S626 L632 A633 A673	L570-L629 HydrophobicContact CD1-CB 3.89Å; L570-L629 HydrophobicContact CD1-CD2 3.47Å; L570-L629 VanDerWaalsContact CD1-CD2 3.47Å; L570-L629 HydrophobicContact CD1-CG 4.24Å; L573-L629 HydrophobicContact CB-CD1 3.99Å; L573-L629 HydrophobicContact CB-CD2 4.14Å; L573-L629 HydrophobicContact CD1-CD2 4.43Å; A577-L629 HydrophobicContact CB-CD1 4.18Å; W625-L629 HydrophobicContact CD2-CD1 3.84Å; W625-L629 HydrophobicContact CE3-CD1 4.46Å; W625-L629 HydrophobicContact CG-CD1 4Å; W625-L629 HydrophobicContact CG-CG 4.35Å; W625-L629 HydrophobicContact CZ2-CD1 4.21Å; W625-L629 WeakPolarHBondContact O-CB 3.14Å; W625-L629 WeakPolarHBondContact O-CD1 3.48Å; W625-L629 WeakPolarHBondContact O-CG 3.29Å; W625-L629 PolarHBondContact O-N 3.47Å; S626-L629 PolarHBondContact O-N 2.79Å; L629-L632 PolarHBondContact O-N 3.33Å; L629-A633 PolarHBondContact O-N 2.85Å; L629-A673 HydrophobicContact CD2-CB 3.92Å
630	L	87.2	Confident	85.9	Confident	4 Å²	4	22.2 Å²	22.2	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-65.7	-39.8	175.9	-173	62.5	0	0	0	112	S626 V627 A633 A634 Y725 L759 I760 N763	S626-L630 WeakPolarHBondContact O-CB 3.26Å; S626-L630 PolarHBondContact O-N 2.8Å; V627-L630 PolarHBondContact O-N 3.17Å; L630-A633 WeakPolarHBondContact O-CB 3.24Å; L630-A633 PolarHBondContact O-N 3.28Å; L630-A634 PolarHBondContact O-N 2.85Å; L630-A634 VanDerWaalsContact O-N 3.16Å; L630-Y725 HydrophobicContact CD2-CE1 4.29Å; L630-L759 HydrophobicContact CD1-CB 3.95Å; L630-I760 HydrophobicContact CD1-CG1 4.02Å; L630-I760 HydrophobicContact CG-CG1 4.18Å; L630-N763 HydrophobicContact CD2-CB 3.83Å
631	A	88	Confident	85.2	Confident	10 Å²	10	22.9 Å²	22.9	8%	0.083	12%	0.124	C	C	.	.	H	α-helix	trans	-62.2	-43.1	171.9	0	0	0	0	0	112.1	V627 L628 A633 A634 V635 F727 T728	V627-A631 PolarHBondContact O-N 2.84Å; L628-A631 PolarHBondContact O-N 3.41Å; A631-A633 VanDerWaalsContact C-N 3.25Å; A631-A633 PolarHBondContact O-N 3.43Å; A631-A634 PolarHBondContact O-N 3.42Å; A631-V635 PolarHBondContact O-N 2.95Å; A631-F727 HydrophobicContact CB-CD1 4.44Å; A631-T728 VanDerWaalsContact CA-OG1 3.28Å; A631-T728 WeakPolarHBondContact CA-OG1 3.37Å; A631-T728 VanDerWaalsContact CB-OG1 3.27Å; A631-T728 WeakPolarHBondContact CB-OG1 3.3Å
632	L	87.8	Confident	84.2	Confident	20 Å²	20	25.7 Å²	25.7	11%	0.105	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-32.1	174.2	-172.2	63.2	0	0	0	112	L570 L628 L629 V635 E636 F669 A672 A673 L676	L570-L632 HydrophobicContact CD1-CD2 4.27Å; L570-L632 HydrophobicContact CD2-CB 4.27Å; L570-L632 HydrophobicContact CD2-CD2 4.44Å; L570-L632 HydrophobicContact CD2-CG 4.15Å; L628-L632 PolarHBondContact O-N 2.94Å; L629-L632 PolarHBondContact O-N 3.33Å; L632-V635 PolarHBondContact O-N 2.81Å; L632-E636 PolarHBondContact O-N 2.77Å; L632-F669 HydrophobicContact CD1-CD1 3.91Å; L632-F669 HydrophobicContact CD1-CE1 4.1Å; L632-F669 HydrophobicContact CG-CD1 4.26Å; L632-A672 HydrophobicContact CD1-CB 4.24Å; L632-A672 HydrophobicContact CD2-CB 4.25Å; L632-A673 HydrophobicContact CD2-CB 3.81Å; L632-L676 HydrophobicContact CB-CD1 4.08Å; L632-L676 HydrophobicContact CD2-CD1 4.13Å
633	A	84.3	Confident	83.1	Confident	12 Å²	12	31.6 Å²	31.6	10%	0.099	16%	0.163	C	C	.	.	H	α-helix	trans	-69.3	-40.6	178.5	0	0	0	0	0	112.3	L570 L629 L630 A631 V635 E636 R637	L570-A633 VanDerWaalsContact CD2-CA 3.46Å; L570-A633 HydrophobicContact CD2-CB 3.66Å; L570-A633 HydrophobicContact CG-CB 4.25Å; L629-A633 PolarHBondContact O-N 2.85Å; L630-A633 WeakPolarHBondContact O-CB 3.24Å; L630-A633 PolarHBondContact O-N 3.28Å; A631-A633 VanDerWaalsContact C-N 3.25Å; A631-A633 PolarHBondContact O-N 3.43Å; A633-V635 VanDerWaalsContact C-N 3.28Å; A633-V635 PolarHBondContact O-N 2.91Å; A633-E636 PolarHBondContact O-N 3.06Å; A633-R637 WeakPolarHBondContact O-CG 3.37Å; A633-R637 PolarHBondContact O-N 3Å
634	A	83.9	Confident	81.9	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-38.7	172.1	0	0	0	0	0	111.8	L630 A631 S638 T728 V731 I760	L630-A634 PolarHBondContact O-N 2.85Å; L630-A634 VanDerWaalsContact O-N 3.16Å; A631-A634 PolarHBondContact O-N 3.42Å; A634-S638 VanDerWaalsContact O-CB 3.26Å; A634-S638 WeakPolarHBondContact O-CB 3.49Å; A634-S638 PolarHBondContact O-N 3.04Å; A634-T728 HydrophobicContact CB-CG2 3.87Å; A634-V731 HydrophobicContact CB-CG1 4.16Å; A634-I760 HydrophobicContact CB-CD1 4.13Å
635	V	85.4	Confident	80.6	Confident	39 Å²	39	34.5 Å²	34.5	24%	0.236	18%	0.176	C	C	.	.	H	α-helix	trans	-68.5	-43.3	175.7	176	0	0	0	0	111.9	A631 L632 A633 R637 S638 M639 F727 V731	A631-V635 PolarHBondContact O-N 2.95Å; L632-V635 PolarHBondContact O-N 2.81Å; A633-V635 VanDerWaalsContact C-N 3.28Å; A633-V635 PolarHBondContact O-N 2.91Å; V635-R637 PolarHBondContact O-N 2.83Å; V635-S638 PolarHBondContact O-N 2.72Å; V635-M639 HydrophobicContact CG1-CG 4.26Å; V635-M639 WeakPolarHBondContact O-CB 3.37Å; V635-M639 VanDerWaalsContact O-CG 3.27Å; V635-M639 WeakPolarHBondContact O-CG 3.24Å; V635-M639 PolarHBondContact O-N 3.28Å; V635-F727 HydrophobicContact CG2-CE1 3.75Å; V635-F727 HydrophobicContact CG2-CZ 3.93Å; V635-V731 HydrophobicContact CG2-CG1 4.26Å; V635-V731 HydrophobicContact CG2-CG2 4.41Å
636	E	83.8	Confident	79.1	Confident	16 Å²	16	35.5 Å²	35.5	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-56.8	-50.8	176.1	-167.1	-92.1	-174.6	0	0	111.2	P566 A567 L632 A633 S638 M639 A640 F669	P566-E636 HydrophobicContact CB-CG 3.94Å; A567-E636 PolarHBondContact N-OE1 2.89Å; A567-E636 VanDerWaalsContact N-OE1 3.15Å; L632-E636 PolarHBondContact O-N 2.77Å; A633-E636 PolarHBondContact O-N 3.06Å; E636-S638 PolarHBondContact O-N 3.32Å; E636-M639 PolarHBondContact O-N 3.21Å; E636-A640 WeakPolarHBondContact O-CB 3.28Å; E636-A640 PolarHBondContact O-N 3.45Å; E636-F669 HydrophobicContact CB-CD1 4.33Å; E636-F669 HydrophobicContact CB-CE1 3.89Å; E636-F669 HydrophobicContact CB-CZ 4.27Å; E636-F669 HydrophobicContact CG-CD1 4.37Å; E636-F669 HydrophobicContact CG-CE1 4.19Å; E636-F669 HydrophobicContact CG-CZ 4.31Å
637	R	79.4	Confident	77.5	Confident	59 Å²	59	42.6 Å²	42.6	22%	0.223	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-42.9	178.1	-65.5	-58.2	-172.8	-155.5	12.6	112.5	A633 V635 M639 A640 V641 L735 V756	A633-R637 WeakPolarHBondContact O-CG 3.37Å; A633-R637 PolarHBondContact O-N 3Å; V635-R637 PolarHBondContact O-N 2.83Å; R637-M639 VanDerWaalsContact C-N 3.35Å; R637-M639 PolarHBondContact O-N 3.3Å; R637-A640 PolarHBondContact O-N 3.05Å; R637-V641 WeakPolarHBondContact O-CG2 3.29Å; R637-V641 PolarHBondContact O-N 2.92Å; R637-V641 VanDerWaalsContact O-N 3.07Å; R637-L735 HydrophobicContact CB-CD2 4.24Å; R637-V756 HydrophobicContact CG-CG1 4.49Å; R637-V756 HydrophobicContact CG-CG2 4.2Å
638	S	78.9	Confident	75.9	Confident	5 Å²	5	47.5 Å²	47.5	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-39.6	178.4	-165.8	0	0	0	0	112.1	A634 V635 E636 R642	A634-S638 VanDerWaalsContact O-CB 3.26Å; A634-S638 WeakPolarHBondContact O-CB 3.49Å; A634-S638 PolarHBondContact O-N 3.04Å; V635-S638 PolarHBondContact O-N 2.72Å; E636-S638 PolarHBondContact O-N 3.32Å; S638-R642 WeakPolarHBondContact O-CB 3.46Å; S638-R642 WeakPolarHBondContact O-CD 3.11Å; S638-R642 WeakPolarHBondContact O-CG 3.45Å; S638-R642 PolarHBondContact O-N 3.3Å; S638-R642 VanDerWaalsContact O-N 3.12Å
639	M	77.6	Confident	74.2	Confident	100 Å²	100	52.2 Å²	52.2	49%	0.493	28%	0.278	S	S	.	.	H	α-helix	trans	-71	-40.2	175.8	-70.4	-67.3	-119.4	0	0	112.6	V635 E636 R637 R642 M643	V635-M639 HydrophobicContact CG1-CG 4.26Å; V635-M639 WeakPolarHBondContact O-CB 3.37Å; V635-M639 VanDerWaalsContact O-CG 3.27Å; V635-M639 WeakPolarHBondContact O-CG 3.24Å; V635-M639 PolarHBondContact O-N 3.28Å; E636-M639 PolarHBondContact O-N 3.21Å; R637-M639 VanDerWaalsContact C-N 3.35Å; R637-M639 PolarHBondContact O-N 3.3Å; M639-R642 PolarHBondContact O-N 2.88Å; M639-M643 VanDerWaalsContact O-CB 3.31Å; M639-M643 WeakPolarHBondContact O-CB 3.43Å; M639-M643 WeakPolarHBondContact O-CG 3.43Å; M639-M643 PolarHBondContact O-N 2.95Å
640	A	73.4	Confident	72	Confident	36 Å²	36	59.4 Å²	59.4	30%	0.298	31%	0.313	S	S	.	.	H	α-helix	trans	-59.7	-50.5	176.9	0	0	0	0	0	111.5	E636 R637 M643 I644	E636-A640 WeakPolarHBondContact O-CB 3.28Å; E636-A640 PolarHBondContact O-N 3.45Å; R637-A640 PolarHBondContact O-N 3.05Å; A640-M643 PolarHBondContact O-N 2.74Å; A640-I644 WeakPolarHBondContact O-CG1 3.33Å; A640-I644 PolarHBondContact O-N 2.91Å
641	V	71.1	Confident	69.7	Low	27 Å²	27	64.8 Å²	64.8	16%	0.164	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-44.1	178.1	174.3	0	0	0	0	111.5	R637 M643 I644 L645 L735 L739	R637-V641 WeakPolarHBondContact O-CG2 3.29Å; R637-V641 PolarHBondContact O-N 2.92Å; R637-V641 VanDerWaalsContact O-N 3.07Å; V641-M643 VanDerWaalsContact C-N 3.31Å; V641-M643 PolarHBondContact O-N 3.4Å; V641-I644 PolarHBondContact O-N 3.1Å; V641-L645 WeakPolarHBondContact O-CB 3.19Å; V641-L645 PolarHBondContact O-N 2.83Å; V641-L735 HydrophobicContact CB-CD1 3.82Å; V641-L735 HydrophobicContact CG1-CD1 3.94Å; V641-L735 HydrophobicContact CG2-CD1 4.12Å; V641-L739 HydrophobicContact CG1-CD1 3.97Å
642	R	70.3	Confident	67.9	Low	106 Å²	106	70.1 Å²	70.1	40%	0.4	38%	0.384	S	S	.	.	H	α-helix	trans	-60.4	-39	176	-73.2	172.7	-171.8	-162.9	1.6	112.3	S638 M639 G646	S638-R642 WeakPolarHBondContact O-CB 3.46Å; S638-R642 WeakPolarHBondContact O-CD 3.11Å; S638-R642 WeakPolarHBondContact O-CG 3.45Å; S638-R642 PolarHBondContact O-N 3.3Å; S638-R642 VanDerWaalsContact O-N 3.12Å; M639-R642 PolarHBondContact O-N 2.88Å; R642-G646 PolarHBondContact O-N 3.18Å
643	M	67.3	Low	65.5	Low	125 Å²	125	81.1 Å²	81.1	62%	0.616	42%	0.424	S	S	*	.	H	α-helix	trans	-71.5	-27.4	177.6	-75.4	-76.1	-75.9	0	0	113.6	M639 A640 V641 K647	M639-M643 VanDerWaalsContact O-CB 3.31Å; M639-M643 WeakPolarHBondContact O-CB 3.43Å; M639-M643 WeakPolarHBondContact O-CG 3.43Å; M639-M643 PolarHBondContact O-N 2.95Å; A640-M643 PolarHBondContact O-N 2.74Å; V641-M643 VanDerWaalsContact C-N 3.31Å; V641-M643 PolarHBondContact O-N 3.4Å; M643-K647 WeakPolarHBondContact O-CG 3.23Å
644	I	64.7	Low	63.3	Low	70 Å²	70	92.6 Å²	92.6	36%	0.359	47%	0.465	S	S	.	.	H	α-helix	trans	-76.3	-51.9	171.9	-68.3	166	0	0	0	109.5	A640 V641 G646 K647 V648	A640-I644 WeakPolarHBondContact O-CG1 3.33Å; A640-I644 PolarHBondContact O-N 2.91Å; V641-I644 PolarHBondContact O-N 3.1Å; I644-G646 VanDerWaalsContact C-N 3.28Å; I644-G646 PolarHBondContact O-N 2.84Å; I644-K647 WeakPolarHBondContact O-CB 3.48Å; I644-K647 PolarHBondContact O-N 3.04Å; I644-V648 PolarHBondContact O-N 3.16Å
645	L	60.8	Low	61.5	Low	22 Å²	22	100.5 Å²	100.5	12%	0.115	51%	0.508	C	S	.	.	H	α-helix	trans	-62.4	-34.8	-177.9	-174.5	57.7	0	0	0	112.5	V641 K647 V648 L649 H738 V742	V641-L645 WeakPolarHBondContact O-CB 3.19Å; V641-L645 PolarHBondContact O-N 2.83Å; L645-K647 PolarHBondContact O-N 2.97Å; L645-V648 HydrophobicContact CD1-CB 4.48Å; L645-V648 PolarHBondContact O-N 3Å; L645-L649 HydrophobicContact CD1-CD1 3.66Å; L645-L649 HydrophobicContact CD2-CD1 4.47Å; L645-L649 HydrophobicContact CG-CD1 3.82Å; L645-L649 PolarHBondContact O-N 3.08Å; L645-H738 WeakPolarHBondContact CD2-CE1 3.18Å; L645-V742 HydrophobicContact CD1-CG1 4.24Å; L645-V742 HydrophobicContact CD1-CG2 3.93Å; L645-V742 HydrophobicContact CD2-CG2 4.42Å
646	G	59.1	Low	59.5	Low	45 Å²	45	102.7 Å²	102.7	46%	0.464	54%	0.538	S	S	.	.	H	α-helix	trans	-63.8	-22	172.3	0	0	0	0	0	114.9	R642 I644	R642-G646 PolarHBondContact O-N 3.18Å; I644-G646 VanDerWaalsContact C-N 3.28Å; I644-G646 PolarHBondContact O-N 2.84Å
647	K	57.4	Low	57.5	Low	163 Å²	163	105 Å²	105	71%	0.709	56%	0.556	S	S	*	*	H	α-helix	trans	-81.9	-27	169.9	-65	172.1	-177.6	176.1	0	112.6	M643 I644 L645	M643-K647 WeakPolarHBondContact O-CG 3.23Å; I644-K647 WeakPolarHBondContact O-CB 3.48Å; I644-K647 PolarHBondContact O-N 3.04Å; L645-K647 PolarHBondContact O-N 2.97Å
648	V	55.5	Low	55.9	Low	108 Å²	108	106.6 Å²	106.6	66%	0.655	58%	0.576	S	S	*	*	H	α-helix	trans	-79.1	-35.9	179.3	178.3	0	0	0	0	111	I644 L645	I644-V648 PolarHBondContact O-N 3.16Å; L645-V648 HydrophobicContact CD1-CB 4.48Å; L645-V648 PolarHBondContact O-N 3Å
649	L	51.8	Low	54.2	Low	129 Å²	129	114.3 Å²	114.3	68%	0.675	61%	0.611	S	S	*	*	S	Bend	trans	-88.1	-5	-178.3	-96.2	133.7	0	0	0	115.8	L645	L645-L649 HydrophobicContact CD1-CD1 3.66Å; L645-L649 HydrophobicContact CD2-CD1 4.47Å; L645-L649 HydrophobicContact CG-CD1 3.82Å; L645-L649 PolarHBondContact O-N 3.08Å
650	M	44.2	Very low	52.6	Low	152 Å²	152	120.3 Å²	120.3	75%	0.749	63%	0.628	S	S	*	*	S	Bend	trans	-132	123.2	177	-74.9	-157.3	173.9	0	0	113.7
651	S	39.4	Very low	51.2	Low	117 Å²	117	127.3 Å²	127.3	82%	0.818	65%	0.647	S	S	*	*			trans	-63	140.3	176.6	-175.7	0	0	0	0	112.2	R653	S651-R653 PolarHBondContact O-N 3.25Å
652	P	48.9	Very low	50.1	Low	121 Å²	121	128.4 Å²	128.4	79%	0.786	66%	0.655	S	S	*	*			trans	-77.1	120.9	-165.7	29.1	-35.8	0	0	0	113.5
653	R	37.6	Very low	48.9	Very low	251 Å²	251	127 Å²	127	95%	0.947	65%	0.652	S	S	*	*			trans	-133.2	128.6	160.8	-99.5	-176.4	171.7	178.9	-1.9	113.6	S651	S651-R653 PolarHBondContact O-N 3.25Å
654	R	38.7	Very low	48	Very low	253 Å²	253	129.8 Å²	129.8	96%	0.955	66%	0.656	S	S	*	*			trans	81	105.5	168.1	-135.4	169	-166.6	161.3	3.6	117.3
655	N	45.5	Very low	47.6	Very low	167 Å²	167	127.8 Å²	127.8	89%	0.893	65%	0.653	S	S	*	*			trans	-64	167.6	171	-73.3	-19.9	0	0	0	113.3
656	G	44.4	Very low	47.4	Very low	84 Å²	84	131.8 Å²	131.8	87%	0.866	67%	0.667	S	S	*	*	S	Bend	trans	125.5	-19.3	152.3	0	0	0	0	0	118
657	S	40.5	Very low	47.5	Very low	66 Å²	66	135.1 Å²	135.1	46%	0.462	67%	0.67	S	S	.	*	S	Bend	trans	-131.2	-1.9	-176.5	68.3	0	0	0	0	116.6	R661	S657-R661 PolarHBondContact O-N 3.02Å; S657-R661 PolarHBondContact OG-NH2 2.95Å
658	S	46.3	Very low	48.2	Very low	91 Å²	91	130.7 Å²	130.7	64%	0.636	66%	0.659	S	S	*	*	H	α-helix	trans	-64.9	-43.9	-172.1	-165.3	0	0	0	0	113.3	R660 R661 C662	S658-R660 PolarHBondContact O-N 2.54Å; S658-R661 WeakPolarHBondContact O-CB 3.43Å; S658-R661 PolarHBondContact O-N 2.79Å; S658-R661 VanDerWaalsContact O-N 3.08Å; S658-C662 PolarHBondContact O-N 2.87Å
659	H	44.3	Very low	49	Very low	167 Å²	167	127.9 Å²	127.9	77%	0.773	64%	0.638	S	S	*	*	H	α-helix	trans	-62.9	-43.9	-173	-133	-32.3	0	0	0	113.3	R661 C662 F663	H659-R661 VanDerWaalsContact C-N 3.33Å; H659-R661 PolarHBondContact O-N 2.95Å; H659-C662 PolarHBondContact O-N 2.04Å; H659-F663 WeakPolarHBondContact O-CB 3.37Å; H659-F663 PolarHBondContact O-N 2.04Å
660	R	42.8	Very low	50	Low	226 Å²	226	123.1 Å²	123.1	85%	0.853	62%	0.62	S	S	*	*	H	α-helix	trans	-63.8	-36.2	174	-74.6	-171.3	179.3	-172.7	0.5	112.3	S658 R664	S658-R660 PolarHBondContact O-N 2.54Å; R660-R664 VanDerWaalsContact O-CB 3.31Å; R660-R664 WeakPolarHBondContact O-CB 3.49Å; R660-R664 PolarHBondContact O-N 2.87Å; R660-R664 VanDerWaalsContact O-N 3.09Å
661	R	45.4	Very low	51.7	Low	184 Å²	184	121.6 Å²	121.6	69%	0.694	61%	0.614	S	S	*	*	H	α-helix	trans	-70.2	-36.2	179.4	-146.5	-178.6	-57.9	-166.7	3.7	111.5	S657 S658 H659	S657-R661 PolarHBondContact O-N 3.02Å; S657-R661 PolarHBondContact OG-NH2 2.95Å; S658-R661 WeakPolarHBondContact O-CB 3.43Å; S658-R661 PolarHBondContact O-N 2.79Å; S658-R661 VanDerWaalsContact O-N 3.08Å; H659-R661 VanDerWaalsContact C-N 3.33Å; H659-R661 PolarHBondContact O-N 2.95Å
662	C	46.4	Very low	53.8	Low	50 Å²	50	117.5 Å²	117.5	34%	0.338	59%	0.587	S	S	.	*	H	α-helix	trans	-68	-54.7	172.8	-152.4	0	0	0	0	110.9	S658 H659 R664 G665 Y666	S658-C662 PolarHBondContact O-N 2.87Å; H659-C662 PolarHBondContact O-N 2.04Å; C662-R664 VanDerWaalsContact C-N 3.31Å; C662-R664 PolarHBondContact O-N 3.16Å; C662-G665 WeakPolarHBondContact O-CA 3.35Å; C662-G665 PolarHBondContact O-N 3.25Å; C662-Y666 WeakPolarHBondContact O-CD2 3.05Å; C662-Y666 PolarHBondContact O-N 2.77Å
663	F	44.9	Very low	55.2	Low	76 Å²	76	111.9 Å²	111.9	33%	0.333	55%	0.551	S	S	.	*	H	α-helix	trans	-56	-40.8	-178.3	-160.5	-96.4	0	0	0	113.3	L560 H659 G665 Y666 Q667	L560-F663 HydrophobicContact CD2-CZ 4.39Å; H659-F663 WeakPolarHBondContact O-CB 3.37Å; H659-F663 PolarHBondContact O-N 2.04Å; F663-G665 PolarHBondContact O-N 2.88Å; F663-Y666 PolarHBondContact O-N 2.86Å; F663-Q667 PolarHBondContact O-N 3.31Å
664	R	50.3	Low	57.3	Low	184 Å²	184	101.8 Å²	101.8	69%	0.694	53%	0.525	S	S	*	.	H	α-helix	trans	-61.7	-30.6	174.6	-172.1	171	176	174.7	-2.2	112.8	R660 C662 C668	R660-R664 VanDerWaalsContact O-CB 3.31Å; R660-R664 WeakPolarHBondContact O-CB 3.49Å; R660-R664 PolarHBondContact O-N 2.87Å; R660-R664 VanDerWaalsContact O-N 3.09Å; C662-R664 VanDerWaalsContact C-N 3.31Å; C662-R664 PolarHBondContact O-N 3.16Å; R664-C668 PolarHBondContact O-N 2.91Å; R664-C668 VanDerWaalsContact O-N 3.12Å; R664-C668 PolarHBondContact O-SG 2.9Å
665	G	55.4	Low	59.6	Low	28 Å²	28	94.8 Å²	94.8	29%	0.289	51%	0.506	S	S	.	.	H	α-helix	trans	-66.1	-43.2	174.7	0	0	0	0	0	113.4	C662 F663 Q667 C668 F669	C662-G665 WeakPolarHBondContact O-CA 3.35Å; C662-G665 PolarHBondContact O-N 3.25Å; F663-G665 PolarHBondContact O-N 2.88Å; G665-Q667 VanDerWaalsContact C-N 3.3Å; G665-Q667 PolarHBondContact O-N 3.08Å; G665-C668 WeakPolarHBondContact O-CB 3.42Å; G665-C668 PolarHBondContact O-N 3.32Å; G665-C668 VanDerWaalsContact O-N 3.13Å; G665-F669 WeakPolarHBondContact O-CD2 3.19Å; G665-F669 PolarHBondContact O-N 3.22Å
666	Y	56.6	Low	61.5	Low	106 Å²	106	88.7 Å²	88.7	42%	0.416	47%	0.473	S	S	.	.	H	α-helix	trans	-59.1	-42.3	176.6	-65.2	-96	0	0	0	111.4	P566 C662 F663 F669 G670	P566-Y666 VanDerWaalsContact CD-CD1 3.49Å; P566-Y666 HydrophobicContact CG-CD1 3.44Å; P566-Y666 VanDerWaalsContact CG-CD1 3.44Å; P566-Y666 HydrophobicContact CG-CE1 3.85Å; P566-Y666 HydrophobicContact CG-CG 4.29Å; C662-Y666 WeakPolarHBondContact O-CD2 3.05Å; C662-Y666 PolarHBondContact O-N 2.77Å; F663-Y666 PolarHBondContact O-N 2.86Å; Y666-F669 PolarHBondContact O-N 2.83Å; Y666-G670 PolarHBondContact O-N 2.63Å
667	Q	61.8	Low	63.4	Low	114 Å²	114	85.2 Å²	85.2	53%	0.533	44%	0.437	S	S	.	.	H	α-helix	trans	-65.8	-38.1	175.6	-67.6	-179.7	-29.4	0	0	112.5	F663 G665 F669 G670 L671	F663-Q667 PolarHBondContact O-N 3.31Å; G665-Q667 VanDerWaalsContact C-N 3.3Å; G665-Q667 PolarHBondContact O-N 3.08Å; Q667-F669 PolarHBondContact O-N 2.86Å; Q667-G670 PolarHBondContact O-N 2.97Å; Q667-L671 WeakPolarHBondContact O-CG 3.1Å; Q667-L671 PolarHBondContact O-N 3.26Å
668	C	71.4	Confident	65.5	Low	70 Å²	70	87.8 Å²	87.8	47%	0.473	45%	0.445	S	S	.	.	H	α-helix	trans	-62	-38.4	176.4	-73	0	0	0	0	113.3	R664 G665 L671 A672	R664-C668 PolarHBondContact O-N 2.91Å; R664-C668 VanDerWaalsContact O-N 3.12Å; R664-C668 PolarHBondContact O-SG 2.9Å; G665-C668 WeakPolarHBondContact O-CB 3.42Å; G665-C668 PolarHBondContact O-N 3.32Å; G665-C668 VanDerWaalsContact O-N 3.13Å; C668-L671 PolarHBondContact O-N 3.42Å; C668-A672 VanDerWaalsContact O-CB 3.3Å; C668-A672 WeakPolarHBondContact O-CB 3.08Å; C668-A672 PolarHBondContact O-N 3.36Å
669	F	72.1	Confident	67.3	Low	50 Å²	50	88.8 Å²	88.8	22%	0.219	44%	0.443	C	S	.	.	H	α-helix	trans	-68	-40.1	177.5	-81.1	-75.9	0	0	0	112.8	P566 L632 E636 G665 Y666 Q667 A672 A673	P566-F669 HydrophobicContact CB-CB 4.09Å; P566-F669 HydrophobicContact CB-CD2 4.46Å; P566-F669 HydrophobicContact CB-CG 4.34Å; L632-F669 HydrophobicContact CD1-CD1 3.91Å; L632-F669 HydrophobicContact CD1-CE1 4.1Å; L632-F669 HydrophobicContact CG-CD1 4.26Å; E636-F669 HydrophobicContact CB-CD1 4.33Å; E636-F669 HydrophobicContact CB-CE1 3.89Å; E636-F669 HydrophobicContact CB-CZ 4.27Å; E636-F669 HydrophobicContact CG-CD1 4.37Å; E636-F669 HydrophobicContact CG-CE1 4.19Å; E636-F669 HydrophobicContact CG-CZ 4.31Å; G665-F669 WeakPolarHBondContact O-CD2 3.19Å; G665-F669 PolarHBondContact O-N 3.22Å; Y666-F669 PolarHBondContact O-N 2.83Å; Q667-F669 PolarHBondContact O-N 2.86Å; F669-A672 PolarHBondContact O-N 2.89Å; F669-A673 PolarHBondContact O-N 3.19Å
670	G	73.6	Confident	69.2	Low	28 Å²	28	81 Å²	81	29%	0.289	41%	0.407	S	S	.	.	H	α-helix	trans	-63.4	-43.1	174.2	0	0	0	0	0	112.6	Y666 Q667 A673 G674	Y666-G670 PolarHBondContact O-N 2.63Å; Q667-G670 PolarHBondContact O-N 2.97Å; G670-A673 PolarHBondContact O-N 3Å; G670-G674 PolarHBondContact O-N 3.14Å; G670-G674 VanDerWaalsContact O-N 3.08Å
671	L	79.1	Confident	71.2	Confident	120 Å²	120	71.8 Å²	71.8	63%	0.628	38%	0.379	S	S	*	.	H	α-helix	trans	-65	-38.2	174.9	-70.7	169.2	0	0	0	112.4	Q667 C668 G674 L675	Q667-L671 WeakPolarHBondContact O-CG 3.1Å; Q667-L671 PolarHBondContact O-N 3.26Å; C668-L671 PolarHBondContact O-N 3.42Å; L671-G674 PolarHBondContact O-N 2.92Å; L671-L675 WeakPolarHBondContact O-CB 3.5Å; L671-L675 PolarHBondContact O-N 3.46Å
672	A	82.9	Confident	73	Confident	31 Å²	31	66 Å²	66	26%	0.256	37%	0.371	S	S	.	.	H	α-helix	trans	-65.2	-44.2	175.4	0	0	0	0	0	112	L632 C668 F669 G674 L675 L676	L632-A672 HydrophobicContact CD1-CB 4.24Å; L632-A672 HydrophobicContact CD2-CB 4.25Å; C668-A672 VanDerWaalsContact O-CB 3.3Å; C668-A672 WeakPolarHBondContact O-CB 3.08Å; C668-A672 PolarHBondContact O-N 3.36Å; F669-A672 PolarHBondContact O-N 2.89Å; A672-G674 VanDerWaalsContact C-N 3.3Å; A672-G674 PolarHBondContact O-N 2.59Å; A672-L675 PolarHBondContact O-N 3.25Å; A672-L676 VanDerWaalsContact O-CG 3.32Å; A672-L676 WeakPolarHBondContact O-CG 3.15Å; A672-L676 PolarHBondContact O-N 3.16Å
673	A	79.8	Confident	74.5	Confident	3 Å²	3	64.8 Å²	64.8	3%	0.025	37%	0.367	C	S	.	.	H	α-helix	trans	-61.7	-37.6	175.7	0	0	0	0	0	112.4	L573 L629 L632 F669 G670 G677	L573-A673 HydrophobicContact CD1-CB 3.79Å; L629-A673 HydrophobicContact CD2-CB 3.92Å; L632-A673 HydrophobicContact CD2-CB 3.81Å; F669-A673 PolarHBondContact O-N 3.19Å; G670-A673 PolarHBondContact O-N 3Å; A673-G677 PolarHBondContact O-N 2.65Å
674	G	81.3	Confident	76.2	Confident	39 Å²	39	61.4 Å²	61.4	40%	0.402	35%	0.353	S	S	.	.	H	α-helix	trans	-66.5	-43.2	172.7	0	0	0	0	0	113.3	G670 L671 A672 G677 L678	G670-G674 PolarHBondContact O-N 3.14Å; G670-G674 VanDerWaalsContact O-N 3.08Å; L671-G674 PolarHBondContact O-N 2.92Å; A672-G674 VanDerWaalsContact C-N 3.3Å; A672-G674 PolarHBondContact O-N 2.59Å; G674-G677 PolarHBondContact O-N 2.65Å; G674-L678 WeakPolarHBondContact O-CG 3.49Å; G674-L678 PolarHBondContact O-N 2.78Å
675	L	86.7	Confident	77.5	Confident	107 Å²	107	55.4 Å²	55.4	56%	0.56	34%	0.339	S	S	*	.	H	α-helix	trans	-63.7	-39.5	175.2	-85.6	161.3	0	0	0	112.7	L671 A672 G677 L678 L679	L671-L675 WeakPolarHBondContact O-CB 3.5Å; L671-L675 PolarHBondContact O-N 3.46Å; A672-L675 PolarHBondContact O-N 3.25Å; L675-G677 VanDerWaalsContact C-N 3.32Å; L675-L678 PolarHBondContact O-N 2.78Å; L675-L679 WeakPolarHBondContact O-CG 3.49Å; L675-L679 PolarHBondContact O-N 2.86Å
676	L	85.8	Confident	78.3	Confident	39 Å²	39	58.7 Å²	58.7	20%	0.204	35%	0.349	C	S	.	.	H	α-helix	trans	-65.9	-35.7	173.2	-68.3	171.4	0	0	0	111.7	L628 L632 A672 L679 A680	L628-L676 HydrophobicContact CB-CB 4.11Å; L628-L676 HydrophobicContact CB-CD1 4.29Å; L628-L676 HydrophobicContact CB-CD2 4.26Å; L628-L676 HydrophobicContact CB-CG 4.45Å; L628-L676 HydrophobicContact CD1-CB 4.38Å; L628-L676 HydrophobicContact CD1-CD2 4.27Å; L628-L676 HydrophobicContact CD2-CD2 4.3Å; L632-L676 HydrophobicContact CB-CD1 4.08Å; L632-L676 HydrophobicContact CD2-CD1 4.13Å; A672-L676 VanDerWaalsContact O-CG 3.32Å; A672-L676 WeakPolarHBondContact O-CG 3.15Å; A672-L676 PolarHBondContact O-N 3.16Å; L676-L679 HydrophobicContact CD2-CD1 4.35Å; L676-L679 PolarHBondContact O-N 2.72Å; L676-A680 WeakPolarHBondContact O-CB 3.28Å; L676-A680 PolarHBondContact O-N 2.67Å
677	G	83.3	Confident	78.6	Confident	10 Å²	10	55.9 Å²	55.9	10%	0.103	34%	0.344	C	S	.	.	H	α-helix	trans	-63.2	-41.8	169.9	0	0	0	0	0	113	W625 A673 G674 L675 L679 A680 A681	W625-G677 VanDerWaalsContact CD1-CA 3.44Å; A673-G677 PolarHBondContact O-N 2.65Å; G674-G677 PolarHBondContact O-N 2.65Å; L675-G677 VanDerWaalsContact C-N 3.32Å; G677-L679 VanDerWaalsContact C-N 3.34Å; G677-L679 PolarHBondContact O-N 2.99Å; G677-A680 PolarHBondContact O-N 2.95Å; G677-A681 WeakPolarHBondContact O-CB 3.07Å; G677-A681 PolarHBondContact O-N 3.29Å
678	L	85.1	Confident	78.8	Confident	121 Å²	121	54.5 Å²	54.5	63%	0.634	34%	0.34	S	S	*	.	H	α-helix	trans	-65.4	-35.6	174.9	-71	170.7	0	0	0	112.5	G674 L675 A682	G674-L678 WeakPolarHBondContact O-CG 3.49Å; G674-L678 PolarHBondContact O-N 2.78Å; L675-L678 PolarHBondContact O-N 2.78Å; L678-A682 WeakPolarHBondContact O-CB 3.21Å; L678-A682 PolarHBondContact O-N 3.43Å
679	L	84.9	Confident	78.5	Confident	112 Å²	112	57.4 Å²	57.4	59%	0.586	35%	0.35	S	S	*	.	H	α-helix	trans	-68	-44.7	173.9	-72.9	166	0	0	0	111.9	L675 L676 G677 A681 A682 G683	L675-L679 WeakPolarHBondContact O-CG 3.49Å; L675-L679 PolarHBondContact O-N 2.86Å; L676-L679 HydrophobicContact CD2-CD1 4.35Å; L676-L679 PolarHBondContact O-N 2.72Å; G677-L679 VanDerWaalsContact C-N 3.34Å; G677-L679 PolarHBondContact O-N 2.99Å; L679-A681 VanDerWaalsContact C-N 3.33Å; L679-A681 PolarHBondContact O-N 2.83Å; L679-A682 PolarHBondContact O-N 3.45Å; L679-G683 PolarHBondContact O-N 3.1Å
680	A	84.2	Confident	77.8	Confident	3 Å²	3	58.4 Å²	58.4	3%	0.025	36%	0.361	C	S	.	.	H	α-helix	trans	-60.4	-41.6	173.3	0	0	0	0	0	111.9	F621 E624 W625 L628 L676 G677 G683 A684	F621-A680 HydrophobicContact CD2-CB 4Å; F621-A680 HydrophobicContact CE2-CB 4.14Å; E624-A680 HydrophobicContact CB-CB 3.89Å; W625-A680 HydrophobicContact CB-CB 3.93Å; L628-A680 HydrophobicContact CD1-CB 4.47Å; L676-A680 WeakPolarHBondContact O-CB 3.28Å; L676-A680 PolarHBondContact O-N 2.67Å; G677-A680 PolarHBondContact O-N 2.95Å; A680-G683 PolarHBondContact O-N 2.76Å; A680-A684 WeakPolarHBondContact O-CB 3.46Å; A680-A684 PolarHBondContact O-N 2.79Å
681	A	84.8	Confident	76.5	Confident	32 Å²	32	67.5 Å²	67.5	26%	0.264	39%	0.392	S	S	.	.	H	α-helix	trans	-65.6	-40.1	176.1	0	0	0	0	0	112.2	F621 G677 L679 G683 A684 C685	F621-A681 HydrophobicContact CD2-CB 4.04Å; F621-A681 HydrophobicContact CE2-CB 3.97Å; G677-A681 WeakPolarHBondContact O-CB 3.07Å; G677-A681 PolarHBondContact O-N 3.29Å; L679-A681 VanDerWaalsContact C-N 3.33Å; L679-A681 PolarHBondContact O-N 2.83Å; A681-G683 VanDerWaalsContact C-N 3.34Å; A681-G683 PolarHBondContact O-N 3.05Å; A681-A684 PolarHBondContact O-N 3.42Å; A681-C685 VanDerWaalsContact O-CB 3.31Å; A681-C685 WeakPolarHBondContact O-CB 3.2Å; A681-C685 PolarHBondContact O-N 2.83Å; A681-C685 PolarHBondContact O-SG 2.85Å; A681-C685 VanDerWaalsContact O-SG 3.36Å
682	A	83.1	Confident	74.9	Confident	62 Å²	62	64.2 Å²	64.2	51%	0.512	38%	0.38	S	S	.	.	H	α-helix	trans	-63	-39.7	174.1	0	0	0	0	0	112.1	L678 L679 L686	L678-A682 WeakPolarHBondContact O-CB 3.21Å; L678-A682 PolarHBondContact O-N 3.43Å; L679-A682 PolarHBondContact O-N 3.45Å; A682-L686 PolarHBondContact O-N 3Å; A682-L686 VanDerWaalsContact O-N 3.13Å
683	G	76.4	Confident	73.4	Confident	26 Å²	26	69.5 Å²	69.5	27%	0.268	40%	0.403	S	S	.	.	H	α-helix	trans	-64.4	-46.8	173.8	0	0	0	0	0	113.1	L679 A680 A681 C685 L686	L679-G683 PolarHBondContact O-N 3.1Å; A680-G683 PolarHBondContact O-N 2.76Å; A681-G683 VanDerWaalsContact C-N 3.34Å; A681-G683 PolarHBondContact O-N 3.05Å; G683-C685 VanDerWaalsContact C-N 3.35Å; G683-C685 PolarHBondContact O-N 3.02Å; G683-L686 WeakPolarHBondContact O-CB 3.39Å; G683-L686 PolarHBondContact O-N 2.84Å
684	A	80.6	Confident	72	Confident	5 Å²	5	71.9 Å²	71.9	4%	0.041	41%	0.414	C	S	.	.	H	α-helix	trans	-67.8	-28.9	177.7	0	0	0	0	0	114.2	A617 V620 F621 A680 A681 P687	A617-A684 WeakPolarHBondContact O-CB 3.44Å; V620-A684 HydrophobicContact CB-CB 4.19Å; V620-A684 HydrophobicContact CG1-CB 4.09Å; F621-A684 HydrophobicContact CB-CB 3.72Å; A680-A684 WeakPolarHBondContact O-CB 3.46Å; A680-A684 PolarHBondContact O-N 2.79Å; A681-A684 PolarHBondContact O-N 3.42Å; A684-P687 WeakPolarHBondContact O-CD 3.21Å
685	C	77.8	Confident	70.5	Confident	58 Å²	58	71 Å²	71	39%	0.392	40%	0.402	S	S	.	.	H	α-helix	trans	-84.6	-13.6	174.7	-71.1	0	0	0	0	113.7	A681 G683 L688 L689	A681-C685 VanDerWaalsContact O-CB 3.31Å; A681-C685 WeakPolarHBondContact O-CB 3.2Å; A681-C685 PolarHBondContact O-N 2.83Å; A681-C685 PolarHBondContact O-SG 2.85Å; A681-C685 VanDerWaalsContact O-SG 3.36Å; G683-C685 VanDerWaalsContact C-N 3.35Å; G683-C685 PolarHBondContact O-N 3.02Å; C685-L688 WeakPolarHBondContact O-CB 3.13Å; C685-L688 PolarHBondContact O-N 3.48Å; C685-L689 PolarHBondContact O-N 2.98Å
686	L	72.3	Confident	69.2	Low	96 Å²	96	67.8 Å²	67.8	50%	0.503	39%	0.388	S	S	.	.	H	α-helix	trans	-56	-43.8	-179	-172.5	67.9	0	0	0	113.2	A682 G683 L688 L689 T690	A682-L686 PolarHBondContact O-N 3Å; A682-L686 VanDerWaalsContact O-N 3.13Å; G683-L686 WeakPolarHBondContact O-CB 3.39Å; G683-L686 PolarHBondContact O-N 2.84Å; L686-L688 VanDerWaalsContact C-N 3.26Å; L686-L688 PolarHBondContact O-N 2.99Å; L686-L689 PolarHBondContact O-N 3.24Å; L686-T690 PolarHBondContact O-N 3.41Å
687	P	62.8	Low	68.7	Low	48 Å²	48	66 Å²	66	31%	0.312	38%	0.379	S	S	.	.	H	α-helix	trans	-65.3	-26.2	176.5	-20.8	34.5	0	0	0	113.9	A684 L689 T690 V713	A684-P687 WeakPolarHBondContact O-CD 3.21Å; P687-L689 VanDerWaalsContact C-N 3.31Å; P687-T690 PolarHBondContact O-OG1 2.9Å; P687-T690 VanDerWaalsContact O-OG1 3.1Å; P687-V713 HydrophobicContact CG-CG1 4.36Å
688	L	67.3	Low	68.4	Low	84 Å²	84	65.6 Å²	65.6	44%	0.44	37%	0.374	S	S	.	.	H	α-helix	trans	-76.5	-19.4	179.5	-55.8	177.7	0	0	0	112.6	Q613 A617 C685 L686	Q613-L688 HydrophobicContact CB-CD2 3.95Å; A617-L688 HydrophobicContact CB-CD1 4.16Å; C685-L688 WeakPolarHBondContact O-CB 3.13Å; C685-L688 PolarHBondContact O-N 3.48Å; L686-L688 VanDerWaalsContact C-N 3.26Å; L686-L688 PolarHBondContact O-N 2.99Å
689	L	63.8	Low	68.2	Low	132 Å²	132	59.9 Å²	59.9	69%	0.691	35%	0.345	S	S	*	.	H	α-helix	trans	-92.7	-21.1	179.6	-64.6	172	0	0	0	112.5	C685 L686 P687	C685-L689 PolarHBondContact O-N 2.98Å; L686-L689 PolarHBondContact O-N 3.24Å; P687-L689 VanDerWaalsContact C-N 3.31Å
690	T	58	Low	68	Low	71 Å²	71	55.1 Å²	55.1	44%	0.436	32%	0.32	S	S	.	.	S	Bend	trans	-87.5	108.1	173.1	49.6	0	0	0	0	110.6	L686 P687 S692	L686-T690 PolarHBondContact O-N 3.41Å; P687-T690 PolarHBondContact O-OG1 2.9Å; P687-T690 VanDerWaalsContact O-OG1 3.1Å; T690-S692 PolarHBondContact O-N 3.1Å
691	F	47.4	Very low	67.7	Low	218 Å²	218	55.4 Å²	55.4	96%	0.956	32%	0.322	S	S	*	.			trans	-70	63.3	175.8	-71.7	-95.6	0	0	0	112.6
692	S	44.2	Very low	66.7	Low	52 Å²	52	55.4 Å²	55.4	36%	0.364	32%	0.319	S	S	.	.	S	Bend	trans	-126.9	139.7	177	-175.5	0	0	0	0	109.9	T690 Q694	T690-S692 PolarHBondContact O-N 3.1Å; S692-Q694 VanDerWaalsContact C-N 3.33Å; S692-Q694 PolarHBondContact O-N 3.06Å; S692-Q694 PolarHBondContact OG-NE2 2.77Å
693	D	51.8	Low	65.4	Low	141 Å²	141	54.5 Å²	54.5	75%	0.754	30%	0.303	S	S	*	.			trans	-64	76	-169.3	-57.6	-85.5	0	0	0	114.5
694	Q	50.2	Low	64.3	Low	54 Å²	54	54.3 Å²	54.3	25%	0.252	30%	0.3	S	S	.	.			trans	-133.6	82.9	-167.7	-69.5	174.3	31.2	0	0	113.9	S692 P709 A710	S692-Q694 VanDerWaalsContact C-N 3.33Å; S692-Q694 PolarHBondContact O-N 3.06Å; S692-Q694 PolarHBondContact OG-NE2 2.77Å; Q694-P709 VanDerWaalsContact NE2-CD 3.29Å; Q694-A710 HydrophobicContact CG-CB 4.24Å; Q694-A710 VanDerWaalsContact OE1-N 3.07Å
695	S	50.5	Low	62.8	Low	21 Å²	21	57.4 Å²	57.4	15%	0.147	33%	0.332	C	S	.	.				-127	119.1	114.4	87.2	0	0	0	0	108.4	E607 S697	E607-S695 WeakPolarHBondContact CA-OG 3.48Å; E607-S695 PolarHBondContact O-OG 3.13Å; S695-S697 VanDerWaalsContact C-N 3.3Å
696	S	59.4	Low	61.4	Low	38 Å²	38	57.3 Å²	57.3	27%	0.266	34%	0.341	S	S	.	.			trans	-91.6	6.6	178.1	61.6	0	0	0	0	113	K513 F703	K513-S696 WeakPolarHBondContact CE-O 3.27Å; K513-S696 PolarHBondContact NZ-O 3.36Å; S696-F703 PolarHBondContact OG-O 2.97Å
697	S	74.5	Confident	60.2	Low	2 Å²	2	62.5 Å²	62.5	1%	0.014	36%	0.362	C	S	.	.	S	Bend	trans	-152.8	136.8	-174.1	174.2	0	0	0	0	110.1	S695 L699 C700	S695-S697 VanDerWaalsContact C-N 3.3Å; S697-L699 PolarHBondContact O-N 3.05Å; S697-L699 PolarHBondContact OG-N 3.17Å; S697-C700 PolarHBondContact O-N 2.88Å
698	P	77.8	Confident	59.8	Low	1 Å²	1	61.9 Å²	61.9	1%	0.006	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.6	178.4	33.8	-35.8	0	0	0	112.9	F512 L518 F599 W606 E607 C700	F512-P698 WeakPolarHBondContact O-CD 3.37Å; F512-P698 WeakPolarHBondContact O-CG 3.48Å; L518-P698 HydrophobicContact CD1-CB 3.9Å; L518-P698 HydrophobicContact CD1-CG 3.67Å; F599-P698 HydrophobicContact CE1-CB 3.9Å; F599-P698 HydrophobicContact CE1-CG 4.01Å; F599-P698 HydrophobicContact CZ-CB 3.47Å; F599-P698 VanDerWaalsContact CZ-CB 3.47Å; F599-P698 HydrophobicContact CZ-CG 4.05Å; W606-P698 PolarHBondContact NE1-O 3.08Å; E607-P698 HydrophobicContact CG-CB 4.2Å; E607-P698 WeakPolarHBondContact OE1-CD 3.15Å; P698-C700 PolarHBondContact O-N 3.07Å; P698-C700 PolarHBondContact O-SG 2.83Å
699	L	81.3	Confident	59.3	Low	2 Å²	2	61.3 Å²	61.3	1%	0.01	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-8	166.8	-57.6	-175.7	0	0	0	112.3	F512 L518 Y584 L588 S697 L701 L795	F512-L699 HydrophobicContact CD1-CD1 4.08Å; F512-L699 HydrophobicContact CE1-CD1 4Å; L518-L699 HydrophobicContact CD1-CD2 4.23Å; Y584-L699 PolarHBondContact OH-O 2.87Å; L588-L699 HydrophobicContact CD1-CD2 4.3Å; S697-L699 PolarHBondContact O-N 3.05Å; S697-L699 PolarHBondContact OG-N 3.17Å; L699-L701 PolarHBondContact O-N 2.95Å; L699-L795 HydrophobicContact CD1-CD2 4.34Å; L699-L795 HydrophobicContact CD1-CG 4.29Å; L699-L795 HydrophobicContact CD2-CD2 3.87Å
700	C	80.3	Confident	59.1	Low	11 Å²	11	55.2 Å²	55.2	7%	0.074	33%	0.329	C	S	.	.			trans	63	-3.9	176.3	-48.7	0	0	0	0	116.2	W606 C612 T615 G616 S697 P698	W606-C700 VanDerWaalsContact CE2-SG 3.58Å; W606-C700 VanDerWaalsContact CZ2-SG 3.53Å; W606-C700 PolarHBondContact NE1-SG 3.3Å; C612-C700 WeakPolarHBondContact CA-SG 3.25Å; C612-C700 HydrophobicContact CB-CB 4.22Å; C612-C700 WeakPolarHBondContact CB-SG 3.05Å; C612-C700 VanDerWaalsContact O-CB 3.25Å; C612-C700 WeakPolarHBondContact O-CB 3.27Å; C612-C700 WeakPolarHBondContact SG-CA 3.47Å; C612-C700 WeakPolarHBondContact SG-CB 3.24Å; C612-C700 CovalentContact SG-SG 2.04Å; C612-C700 PolarHBondContact SG-SG 3.42Å; T615-C700 HydrophobicContact CG2-CB 4.44Å; G616-C700 WeakPolarHBondContact CA-O 3.26Å; S697-C700 PolarHBondContact O-N 2.88Å; P698-C700 PolarHBondContact O-N 3.07Å; P698-C700 PolarHBondContact O-SG 2.83Å
701	L	76.6	Confident	59.4	Low	10 Å²	10	54 Å²	54	5%	0.052	32%	0.319	C	S	.	.	S	Bend	trans	-72.8	144.1	167.6	-65.8	174.8	0	0	0	110.3	Y584 A619 L699 F703 T794 F798	Y584-L701 WeakPolarHBondContact OH-CD1 3.11Å; Y584-L701 WeakPolarHBondContact OH-CG 3.3Å; A619-L701 HydrophobicContact CB-CD2 3.64Å; L699-L701 PolarHBondContact O-N 2.95Å; L701-F703 HydrophobicContact CB-CD2 3.65Å; L701-F703 HydrophobicContact CB-CE2 3.89Å; L701-F703 HydrophobicContact CD1-CD2 4.41Å; L701-F703 HydrophobicContact CD1-CE2 3.91Å; L701-F703 PolarHBondContact O-N 2.83Å; L701-T794 HydrophobicContact CD1-CG2 3.75Å; L701-F798 HydrophobicContact CD2-CE1 4.37Å; L701-F798 HydrophobicContact CD2-CZ 4.2Å
702	P	64.1	Low	60.4	Low	31 Å²	31	47.1 Å²	47.1	20%	0.201	30%	0.299	C	S	.	.			trans	-72.1	26.5	-172.3	26.6	-32.9	0	0	0	115.8	V620 A704 T714 L717	V620-P702 HydrophobicContact CG2-CG 4.47Å; P702-A704 PolarHBondContact O-N 3.24Å; P702-T714 VanDerWaalsContact C-CG2 3.45Å; P702-T714 HydrophobicContact CB-CG2 3.94Å; P702-T714 HydrophobicContact CG-CG2 3.74Å; P702-T714 WeakPolarHBondContact O-CG2 3.27Å; P702-L717 HydrophobicContact CG-CD1 4.42Å
703	F	57.1	Low	61.7	Low	43 Å²	43	46 Å²	46	19%	0.189	29%	0.29	C	S	.	.			trans	-64.1	115.5	173.7	-71.8	-79.5	0	0	0	111.1	S696 L701 S774 T794	S696-F703 PolarHBondContact OG-O 2.97Å; L701-F703 HydrophobicContact CB-CD2 3.65Å; L701-F703 HydrophobicContact CB-CE2 3.89Å; L701-F703 HydrophobicContact CD1-CD2 4.41Å; L701-F703 HydrophobicContact CD1-CE2 3.91Å; L701-F703 PolarHBondContact O-N 2.83Å; F703-S774 WeakPolarHBondContact CE1-OG 3.46Å; F703-T794 HydrophobicContact CD2-CG2 4.4Å; F703-T794 HydrophobicContact CE2-CG2 3.58Å; F703-T794 HydrophobicContact CZ-CG2 4.05Å
704	A	52.3	Low	62.8	Low	23 Å²	23	39.9 Å²	39.9	19%	0.19	26%	0.258	C	S	.	.			trans	-84	124.1	-178.4	0	0	0	0	0	112.6	P702 A710 L711	P702-A704 PolarHBondContact O-N 3.24Å; A704-A710 HydrophobicContact CB-CB 4.01Å; A704-L711 HydrophobicContact CB-CB 3.77Å; A704-L711 HydrophobicContact CB-CD1 4.3Å
705	G	50.2	Low	64.1	Low	70 Å²	70	39 Å²	39	72%	0.722	26%	0.256	S	S	*	.	S	Bend	trans	-90.2	93.2	160.4	0	0	0	0	0	110.1
706	G	47.4	Very low	65.4	Low	56 Å²	56	43.2 Å²	43.2	58%	0.577	28%	0.275	S	S	*	.	S	Bend	trans	81.7	144	177.9	0	0	0	0	0	115	S708	G706-S708 WeakPolarHBondContact O-CB 3.41Å; G706-S708 PolarHBondContact O-N 2.98Å; G706-S708 PolarHBondContact O-OG 3.01Å
707	E	47.3	Very low	66.4	Low	205 Å²	205	42.7 Å²	42.7	96%	0.958	27%	0.27	S	S	*	.	S	Bend	trans	-0.5	73	168.3	-57.5	-171.4	152.2	0	0	117.5
708	S	55.2	Low	66.7	Low	34 Å²	34	43.3 Å²	43.3	24%	0.238	27%	0.273	C	S	.	.	S	Bend	trans	-146.2	151.2	179.3	50.9	0	0	0	0	111.9	G706 A710 L711	G706-S708 WeakPolarHBondContact O-CB 3.41Å; G706-S708 PolarHBondContact O-N 2.98Å; G706-S708 PolarHBondContact O-OG 3.01Å; S708-A710 PolarHBondContact O-N 3Å; S708-L711 WeakPolarHBondContact O-CB 3.3Å; S708-L711 PolarHBondContact O-N 3.28Å
709	P	56.7	Low	67	Low	73 Å²	73	47.3 Å²	47.3	47%	0.474	29%	0.294	S	S	.	.	H	α-helix	trans	-57	-19.4	-178.9	-21.7	26.7	0	0	0	115.5	Q694 L711 S712 V713	Q694-P709 VanDerWaalsContact NE2-CD 3.29Å; P709-L711 PolarHBondContact O-N 3.13Å; P709-S712 WeakPolarHBondContact O-CB 3.44Å; P709-S712 PolarHBondContact O-N 3.46Å; P709-V713 PolarHBondContact O-N 3.46Å
710	A	58.9	Low	67.2	Low	4 Å²	4	51 Å²	51	3%	0.033	31%	0.314	C	S	.	.	H	α-helix	trans	-56.1	-32.7	171.9	0	0	0	0	0	112.8	Q694 A704 S708 S712 V713 T714	Q694-A710 HydrophobicContact CG-CB 4.24Å; Q694-A710 VanDerWaalsContact OE1-N 3.07Å; A704-A710 HydrophobicContact CB-CB 4.01Å; S708-A710 PolarHBondContact O-N 3Å; A710-S712 VanDerWaalsContact C-N 3.34Å; A710-V713 PolarHBondContact O-N 2.76Å; A710-T714 PolarHBondContact O-N 2.83Å; A710-T714 PolarHBondContact O-OG1 3.26Å
711	L	64.5	Low	67.4	Low	44 Å²	44	51 Å²	51	23%	0.23	31%	0.313	C	S	.	.	H	α-helix	trans	-64.8	-39.3	175.7	-170.1	62.8	0	0	0	111.4	A704 S708 P709 T714 V715 L778	A704-L711 HydrophobicContact CB-CB 3.77Å; A704-L711 HydrophobicContact CB-CD1 4.3Å; S708-L711 WeakPolarHBondContact O-CB 3.3Å; S708-L711 PolarHBondContact O-N 3.28Å; P709-L711 PolarHBondContact O-N 3.13Å; L711-T714 WeakPolarHBondContact CA-OG1 3.22Å; L711-T714 PolarHBondContact O-OG1 2.98Å; L711-T714 VanDerWaalsContact O-OG1 3.07Å; L711-V715 WeakPolarHBondContact O-CB 3.48Å; L711-V715 VanDerWaalsContact O-CG2 3.26Å; L711-V715 WeakPolarHBondContact O-CG2 3.25Å; L711-V715 PolarHBondContact O-N 3.24Å; L711-V715 VanDerWaalsContact O-N 3.11Å; L711-L778 HydrophobicContact CD1-CD1 4.26Å; L711-L778 HydrophobicContact CD1-CG 4.35Å; L711-L778 HydrophobicContact CD2-CD2 3.86Å; L711-L778 HydrophobicContact CD2-CG 4.45Å; L711-L778 HydrophobicContact CG-CD2 4.23Å
712	S	67.4	Low	68	Low	75 Å²	75	52 Å²	52	52%	0.524	32%	0.322	S	S	.	.	H	α-helix	trans	-65.5	-40.3	175.4	-53.4	0	0	0	0	111.6	P709 A710 I716	P709-S712 WeakPolarHBondContact O-CB 3.44Å; P709-S712 PolarHBondContact O-N 3.46Å; A710-S712 VanDerWaalsContact C-N 3.34Å; S712-I716 WeakPolarHBondContact O-CD1 3.15Å; S712-I716 VanDerWaalsContact O-CG1 3.26Å; S712-I716 WeakPolarHBondContact O-CG1 3.35Å; S712-I716 PolarHBondContact O-N 2.71Å; S712-I716 VanDerWaalsContact O-N 3.14Å
713	V	73.1	Confident	69.2	Low	28 Å²	28	56.1 Å²	56.1	17%	0.17	34%	0.342	C	S	.	.	H	α-helix	trans	-67.8	-45.1	179.1	178.4	0	0	0	0	111.4	P687 P709 A710 V715 I716 L717	P687-V713 HydrophobicContact CG-CG1 4.36Å; P709-V713 PolarHBondContact O-N 3.46Å; A710-V713 PolarHBondContact O-N 2.76Å; V713-V715 PolarHBondContact O-N 3.2Å; V713-I716 PolarHBondContact O-N 2.91Å; V713-L717 HydrophobicContact CG1-CD1 4.02Å; V713-L717 WeakPolarHBondContact O-CG 3.14Å; V713-L717 PolarHBondContact O-N 2.92Å
714	T	74.7	Confident	70.6	Confident	13 Å²	13	54.7 Å²	54.7	8%	0.08	34%	0.338	C	S	.	.	H	α-helix	trans	-61.2	-44	176.4	32.2	0	0	0	0	112.3	P702 A710 L711 I716 L717 V718	P702-T714 VanDerWaalsContact C-CG2 3.45Å; P702-T714 HydrophobicContact CB-CG2 3.94Å; P702-T714 HydrophobicContact CG-CG2 3.74Å; P702-T714 WeakPolarHBondContact O-CG2 3.27Å; A710-T714 PolarHBondContact O-N 2.83Å; A710-T714 PolarHBondContact O-OG1 3.26Å; L711-T714 WeakPolarHBondContact CA-OG1 3.22Å; L711-T714 PolarHBondContact O-OG1 2.98Å; L711-T714 VanDerWaalsContact O-OG1 3.07Å; T714-I716 VanDerWaalsContact C-N 3.34Å; T714-I716 PolarHBondContact O-N 3.33Å; T714-L717 PolarHBondContact O-N 3.44Å; T714-V718 WeakPolarHBondContact O-CG2 3.27Å; T714-V718 PolarHBondContact O-N 2.91Å
715	V	76.4	Confident	72.3	Confident	35 Å²	35	54.6 Å²	54.6	21%	0.212	33%	0.333	C	S	.	.	H	α-helix	trans	-57.8	-45.3	175.7	167	0	0	0	0	111.7	L711 V713 V718 L719 F775 L778	L711-V715 WeakPolarHBondContact O-CB 3.48Å; L711-V715 VanDerWaalsContact O-CG2 3.26Å; L711-V715 WeakPolarHBondContact O-CG2 3.25Å; L711-V715 PolarHBondContact O-N 3.24Å; L711-V715 VanDerWaalsContact O-N 3.11Å; V713-V715 PolarHBondContact O-N 3.2Å; V715-V718 PolarHBondContact O-N 2.83Å; V715-L719 HydrophobicContact CG1-CD1 3.73Å; V715-L719 HydrophobicContact CG1-CG 4.35Å; V715-L719 WeakPolarHBondContact O-CB 3.29Å; V715-L719 VanDerWaalsContact O-CG 3.23Å; V715-L719 WeakPolarHBondContact O-CG 3.37Å; V715-L719 PolarHBondContact O-N 3.08Å; V715-F775 HydrophobicContact CG1-CE1 4.35Å; V715-F775 HydrophobicContact CG2-CE1 4.46Å; V715-L778 HydrophobicContact CG2-CD1 3.29Å
716	I	78.9	Confident	74.1	Confident	109 Å²	109	57 Å²	57	56%	0.559	33%	0.329	S	S	*	.	H	α-helix	trans	-62.8	-45.1	179.6	-69.8	164.6	0	0	0	111.3	S712 V713 T714 L719 L720	S712-I716 WeakPolarHBondContact O-CD1 3.15Å; S712-I716 VanDerWaalsContact O-CG1 3.26Å; S712-I716 WeakPolarHBondContact O-CG1 3.35Å; S712-I716 PolarHBondContact O-N 2.71Å; S712-I716 VanDerWaalsContact O-N 3.14Å; V713-I716 PolarHBondContact O-N 2.91Å; T714-I716 VanDerWaalsContact C-N 3.34Å; T714-I716 PolarHBondContact O-N 3.33Å; I716-L719 PolarHBondContact O-N 2.84Å; I716-L720 WeakPolarHBondContact O-CB 3.33Å; I716-L720 PolarHBondContact O-N 3.24Å
717	L	79.2	Confident	76	Confident	28 Å²	28	59.5 Å²	59.5	15%	0.147	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-46.6	178.2	-69	167.2	0	0	0	111.8	V620 E624 P702 V713 T714 L719 L720 N721	V620-L717 HydrophobicContact CG1-CD1 3.99Å; V620-L717 HydrophobicContact CG1-CD2 4.05Å; V620-L717 HydrophobicContact CG2-CD1 4.45Å; E624-L717 HydrophobicContact CG-CD2 4.07Å; P702-L717 HydrophobicContact CG-CD1 4.42Å; V713-L717 HydrophobicContact CG1-CD1 4.02Å; V713-L717 WeakPolarHBondContact O-CG 3.14Å; V713-L717 PolarHBondContact O-N 2.92Å; T714-L717 PolarHBondContact O-N 3.44Å; L717-L719 PolarHBondContact O-N 2.94Å; L717-L720 PolarHBondContact O-N 2.92Å; L717-N721 PolarHBondContact O-N 2.85Å; L717-N721 PolarHBondContact O-ND2 2.93Å
718	V	82.4	Confident	77.9	Confident	14 Å²	14	49.8 Å²	49.8	9%	0.085	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-37.4	-179.6	178.3	0	0	0	0	111.4	T714 V715 A722 F767 A771 F775	T714-V718 WeakPolarHBondContact O-CG2 3.27Å; T714-V718 PolarHBondContact O-N 2.91Å; V715-V718 PolarHBondContact O-N 2.83Å; V718-A722 WeakPolarHBondContact O-CB 3.45Å; V718-A722 PolarHBondContact O-N 3.08Å; V718-F767 HydrophobicContact CG1-CZ 3.98Å; V718-A771 HydrophobicContact CG1-CB 3.76Å; V718-F775 HydrophobicContact CB-CE2 4.33Å; V718-F775 HydrophobicContact CB-CZ 4.25Å; V718-F775 HydrophobicContact CG1-CD2 4.16Å; V718-F775 HydrophobicContact CG1-CE2 3.41Å; V718-F775 VanDerWaalsContact CG1-CE2 3.41Å; V718-F775 HydrophobicContact CG1-CZ 3.8Å
719	L	83.8	Confident	79.3	Confident	86 Å²	86	50.3 Å²	50.3	45%	0.45	29%	0.285	S	S	.	.	H	α-helix	trans	-64.5	-41.4	172.5	-73.1	172.4	0	0	0	112.4	V715 I716 L717 A722 L723 F775	V715-L719 HydrophobicContact CG1-CD1 3.73Å; V715-L719 HydrophobicContact CG1-CG 4.35Å; V715-L719 WeakPolarHBondContact O-CB 3.29Å; V715-L719 VanDerWaalsContact O-CG 3.23Å; V715-L719 WeakPolarHBondContact O-CG 3.37Å; V715-L719 PolarHBondContact O-N 3.08Å; I716-L719 PolarHBondContact O-N 2.84Å; L717-L719 PolarHBondContact O-N 2.94Å; L719-A722 PolarHBondContact O-N 3.1Å; L719-L723 WeakPolarHBondContact O-CG 3.12Å; L719-L723 PolarHBondContact O-N 3.05Å; L719-F775 HydrophobicContact CD2-CE1 4.47Å; L719-F775 HydrophobicContact CD2-CZ 3.87Å; L719-F775 HydrophobicContact CG-CE1 4.49Å; L719-F775 HydrophobicContact CG-CZ 4.04Å
720	L	84	Confident	80.6	Confident	80 Å²	80	49.2 Å²	49.2	42%	0.419	28%	0.282	S	S	.	.	H	α-helix	trans	-65.1	-43.7	179.1	-171.7	141.4	0	0	0	111.6	E624 I716 L717 L723 A724	E624-L720 WeakPolarHBondContact OE2-CD2 3.36Å; I716-L720 WeakPolarHBondContact O-CB 3.33Å; I716-L720 PolarHBondContact O-N 3.24Å; L717-L720 PolarHBondContact O-N 2.92Å; L720-L723 PolarHBondContact O-N 3.23Å; L720-A724 WeakPolarHBondContact O-CB 3.23Å; L720-A724 PolarHBondContact O-N 3.26Å
721	N	86.4	Confident	81.8	Confident	11 Å²	11	49.9 Å²	49.9	6%	0.059	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-44.9	172.3	-77.1	-72.7	0	0	0	112.3	E624 V627 L717 L723 A724 Y725 F767	E624-N721 PolarHBondContact OE1-ND2 3.02Å; E624-N721 PolarHBondContact OE2-ND2 2.96Å; V627-N721 WeakPolarHBondContact CG2-OD1 3.12Å; L717-N721 PolarHBondContact O-N 2.85Å; L717-N721 PolarHBondContact O-ND2 2.93Å; N721-L723 VanDerWaalsContact C-N 3.33Å; N721-L723 PolarHBondContact O-N 3.03Å; N721-A724 PolarHBondContact O-N 3.01Å; N721-A724 VanDerWaalsContact O-N 3.14Å; N721-Y725 WeakPolarHBondContact O-CD2 3.2Å; N721-Y725 PolarHBondContact O-N 3.11Å; N721-F767 HydrophobicContact CB-CD2 4.49Å; N721-F767 HydrophobicContact CB-CE1 4.4Å; N721-F767 HydrophobicContact CB-CE2 3.55Å; N721-F767 HydrophobicContact CB-CZ 3.49Å; N721-F767 VanDerWaalsContact CB-CZ 3.49Å
722	A	87.7	Confident	82.6	Confident	30 Å²	30	49.3 Å²	49.3	25%	0.248	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-42.7	177.6	0	0	0	0	0	111.9	V718 L719 Y725 L726 F767	V718-A722 WeakPolarHBondContact O-CB 3.45Å; V718-A722 PolarHBondContact O-N 3.08Å; L719-A722 PolarHBondContact O-N 3.1Å; A722-Y725 PolarHBondContact O-N 3.12Å; A722-L726 WeakPolarHBondContact O-CB 3.29Å; A722-L726 VanDerWaalsContact O-CG 3.27Å; A722-L726 WeakPolarHBondContact O-CG 3.35Å; A722-L726 PolarHBondContact O-N 3.34Å; A722-F767 HydrophobicContact CB-CE1 4.18Å
723	L	88.8	Confident	83.2	Confident	118 Å²	118	49.8 Å²	49.8	62%	0.618	28%	0.28	S	S	*	.	H	α-helix	trans	-64	-40	173.9	-71.5	169.7	0	0	0	112.3	L719 L720 N721 L726 F727	L719-L723 WeakPolarHBondContact O-CG 3.12Å; L719-L723 PolarHBondContact O-N 3.05Å; L720-L723 PolarHBondContact O-N 3.23Å; N721-L723 VanDerWaalsContact C-N 3.33Å; N721-L723 PolarHBondContact O-N 3.03Å; L723-L726 PolarHBondContact O-N 2.95Å; L723-F727 WeakPolarHBondContact O-CB 3.27Å; L723-F727 PolarHBondContact O-N 2.97Å
724	A	87.9	Confident	83.6	Confident	13 Å²	13	53.7 Å²	53.7	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-42.9	176.3	0	0	0	0	0	112.1	V627 L720 N721 F727 T728	V627-A724 HydrophobicContact CG1-CB 3.76Å; L720-A724 WeakPolarHBondContact O-CB 3.23Å; L720-A724 PolarHBondContact O-N 3.26Å; N721-A724 PolarHBondContact O-N 3.01Å; N721-A724 VanDerWaalsContact O-N 3.14Å; A724-F727 PolarHBondContact O-N 2.94Å; A724-T728 WeakPolarHBondContact O-CB 3.45Å; A724-T728 PolarHBondContact O-N 3.13Å; A724-T728 PolarHBondContact O-OG1 2.96Å
725	Y	87.6	Confident	83.8	Confident	20 Å²	20	53.2 Å²	53.2	8%	0.078	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-42.5	173.9	-77.3	-63.9	0	0	0	112.3	V627 L630 N721 A722 T728 A729 N763 C764 F767	V627-Y725 HydrophobicContact CG1-CD2 4.28Å; V627-Y725 HydrophobicContact CG1-CE1 4.39Å; V627-Y725 HydrophobicContact CG1-CE2 3.96Å; V627-Y725 HydrophobicContact CG2-CE2 4.06Å; V627-Y725 WeakPolarHBondContact CG2-OH 3.39Å; L630-Y725 HydrophobicContact CD2-CE1 4.29Å; N721-Y725 WeakPolarHBondContact O-CD2 3.2Å; N721-Y725 PolarHBondContact O-N 3.11Å; A722-Y725 PolarHBondContact O-N 3.12Å; Y725-T728 WeakPolarHBondContact O-CB 3.49Å; Y725-T728 PolarHBondContact O-N 3.41Å; Y725-A729 WeakPolarHBondContact O-CB 3.35Å; Y725-A729 PolarHBondContact O-N 3.3Å; Y725-N763 HydrophobicContact CE1-CB 3.86Å; Y725-C764 HydrophobicContact CD1-CB 4.33Å; Y725-F767 HydrophobicContact CD2-CB 4.41Å; Y725-F767 AromaticContact CD2-CD1 3.75Å; Y725-F767 HydrophobicContact CD2-CD1 3.75Å; Y725-F767 HydrophobicContact CD2-CD2 4.48Å; Y725-F767 HydrophobicContact CD2-CE1 4.1Å; Y725-F767 AromaticContact CD2-CG 3.96Å; Y725-F767 HydrophobicContact CD2-CG 3.96Å; Y725-F767 HydrophobicContact CE2-CB 3.79Å; Y725-F767 AromaticContact CE2-CD1 3.84Å; Y725-F767 HydrophobicContact CE2-CD1 3.84Å; Y725-F767 AromaticContact CE2-CD2 3.83Å; Y725-F767 HydrophobicContact CE2-CD2 3.83Å; Y725-F767 HydrophobicContact CE2-CE1 4.38Å; Y725-F767 HydrophobicContact CE2-CE2 4.37Å; Y725-F767 AromaticContact CE2-CG 3.53Å; Y725-F767 HydrophobicContact CE2-CG 3.53Å
726	L	87.6	Confident	83.7	Confident	121 Å²	121	59.3 Å²	59.3	63%	0.634	31%	0.314	S	S	*	.	H	α-helix	trans	-62.2	-42.7	175.7	-75	168.9	0	0	0	112.2	A722 L723 A729 A730	A722-L726 WeakPolarHBondContact O-CB 3.29Å; A722-L726 VanDerWaalsContact O-CG 3.27Å; A722-L726 WeakPolarHBondContact O-CG 3.35Å; A722-L726 PolarHBondContact O-N 3.34Å; L723-L726 PolarHBondContact O-N 2.95Å; L726-A729 PolarHBondContact O-N 2.84Å; L726-A730 WeakPolarHBondContact O-CB 3.21Å; L726-A730 PolarHBondContact O-N 2.96Å
727	F	88.3	Confident	83.6	Confident	109 Å²	109	58.1 Å²	58.1	48%	0.478	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-46	173.4	173.2	-97.5	0	0	0	111.7	A631 V635 L723 A724 A729 A730 V731	A631-F727 HydrophobicContact CB-CD1 4.44Å; V635-F727 HydrophobicContact CG2-CE1 3.75Å; V635-F727 HydrophobicContact CG2-CZ 3.93Å; L723-F727 WeakPolarHBondContact O-CB 3.27Å; L723-F727 PolarHBondContact O-N 2.97Å; A724-F727 PolarHBondContact O-N 2.94Å; F727-A729 PolarHBondContact O-N 2.89Å; F727-A730 PolarHBondContact O-N 3.08Å; F727-V731 HydrophobicContact CD1-CG2 4.32Å; F727-V731 HydrophobicContact CD2-CG2 4.29Å; F727-V731 HydrophobicContact CE1-CG2 3.89Å; F727-V731 HydrophobicContact CE2-CG2 3.86Å; F727-V731 HydrophobicContact CZ-CG2 3.65Å; F727-V731 WeakPolarHBondContact O-CG2 3.34Å; F727-V731 PolarHBondContact O-N 3.39Å
728	T	86	Confident	83	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-58.9	-47.3	178.1	-57.8	0	0	0	0	111	A631 A634 A724 Y725 V731 Y732 I760	A631-T728 VanDerWaalsContact CA-OG1 3.28Å; A631-T728 WeakPolarHBondContact CA-OG1 3.37Å; A631-T728 VanDerWaalsContact CB-OG1 3.27Å; A631-T728 WeakPolarHBondContact CB-OG1 3.3Å; A634-T728 HydrophobicContact CB-CG2 3.87Å; A724-T728 WeakPolarHBondContact O-CB 3.45Å; A724-T728 PolarHBondContact O-N 3.13Å; A724-T728 PolarHBondContact O-OG1 2.96Å; Y725-T728 WeakPolarHBondContact O-CB 3.49Å; Y725-T728 PolarHBondContact O-N 3.41Å; T728-V731 PolarHBondContact O-N 2.88Å; T728-Y732 WeakPolarHBondContact O-CB 3.32Å; T728-Y732 PolarHBondContact O-N 3.04Å; T728-I760 HydrophobicContact CG2-CB 4.47Å; T728-I760 HydrophobicContact CG2-CD1 3.76Å; T728-I760 HydrophobicContact CG2-CG1 3.73Å; T728-I760 HydrophobicContact CG2-CG2 3.9Å
729	A	84.4	Confident	82.3	Confident	44 Å²	44	61.8 Å²	61.8	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-60.2	-48.4	174.7	0	0	0	0	0	111.5	Y725 L726 F727 V731 Y732 T733	Y725-A729 WeakPolarHBondContact O-CB 3.35Å; Y725-A729 PolarHBondContact O-N 3.3Å; L726-A729 PolarHBondContact O-N 2.84Å; F727-A729 PolarHBondContact O-N 2.89Å; A729-V731 PolarHBondContact O-N 2.97Å; A729-Y732 PolarHBondContact O-N 3.42Å; A729-Y732 VanDerWaalsContact O-N 3.15Å; A729-T733 WeakPolarHBondContact O-CB 3.26Å; A729-T733 PolarHBondContact O-N 3.49Å; A729-T733 PolarHBondContact O-OG1 3.13Å; A729-T733 VanDerWaalsContact O-OG1 3.05Å
730	A	84.9	Confident	81.1	Confident	51 Å²	51	61 Å²	61	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-61.2	-43.2	179.8	0	0	0	0	0	113.1	L726 F727 Y732 Q734	L726-A730 WeakPolarHBondContact O-CB 3.21Å; L726-A730 PolarHBondContact O-N 2.96Å; F727-A730 PolarHBondContact O-N 3.08Å; A730-Y732 VanDerWaalsContact C-N 3.32Å; A730-Y732 PolarHBondContact O-N 3.11Å; A730-Q734 WeakPolarHBondContact O-CB 3.33Å; A730-Q734 WeakPolarHBondContact O-CG 3.44Å; A730-Q734 PolarHBondContact O-N 3.13Å
731	V	84.4	Confident	79.7	Confident	18 Å²	18	67.6 Å²	67.6	11%	0.109	36%	0.363	C	S	.	.	H	α-helix	trans	-62.4	-40.4	174.8	170.7	0	0	0	0	111.1	A634 V635 F727 T728 A729 L735	A634-V731 HydrophobicContact CB-CG1 4.16Å; V635-V731 HydrophobicContact CG2-CG1 4.26Å; V635-V731 HydrophobicContact CG2-CG2 4.41Å; F727-V731 HydrophobicContact CD1-CG2 4.32Å; F727-V731 HydrophobicContact CD2-CG2 4.29Å; F727-V731 HydrophobicContact CE1-CG2 3.89Å; F727-V731 HydrophobicContact CE2-CG2 3.86Å; F727-V731 HydrophobicContact CZ-CG2 3.65Å; F727-V731 WeakPolarHBondContact O-CG2 3.34Å; F727-V731 PolarHBondContact O-N 3.39Å; T728-V731 PolarHBondContact O-N 2.88Å; A729-V731 PolarHBondContact O-N 2.97Å; V731-L735 PolarHBondContact O-N 3.05Å
732	Y	80.7	Confident	78.3	Confident	31 Å²	31	70 Å²	70	12%	0.122	38%	0.378	C	S	.	.	H	α-helix	trans	-74.8	-37.5	-178.8	-156.5	-86.5	0	0	0	112.9	T728 A729 A730 L735 Y736 L753 V756 A757 I760	T728-Y732 WeakPolarHBondContact O-CB 3.32Å; T728-Y732 PolarHBondContact O-N 3.04Å; A729-Y732 PolarHBondContact O-N 3.42Å; A729-Y732 VanDerWaalsContact O-N 3.15Å; A730-Y732 VanDerWaalsContact C-N 3.32Å; A730-Y732 PolarHBondContact O-N 3.11Å; Y732-L735 HydrophobicContact CE2-CD2 4.39Å; Y732-L735 WeakPolarHBondContact O-CB 3.39Å; Y732-L735 PolarHBondContact O-N 2.88Å; Y732-Y736 PolarHBondContact O-N 2.82Å; Y732-L753 HydrophobicContact CE2-CD1 3.91Å; Y732-L753 WeakPolarHBondContact OH-CD1 3.41Å; Y732-L753 VanDerWaalsContact OH-CG 3.31Å; Y732-L753 WeakPolarHBondContact OH-CG 3.49Å; Y732-L753 PolarHBondContact OH-O 3.32Å; Y732-V756 HydrophobicContact CE2-CG1 4.2Å; Y732-A757 HydrophobicContact CE1-CB 3.78Å; Y732-A757 WeakPolarHBondContact OH-CB 3.42Å; Y732-I760 HydrophobicContact CD2-CD1 3.52Å; Y732-I760 HydrophobicContact CE2-CD1 4.12Å; Y732-I760 HydrophobicContact CG-CD1 3.96Å
733	T	81	Confident	76.7	Confident	85 Å²	85	77.8 Å²	77.8	52%	0.521	41%	0.409	S	S	.	.	H	α-helix	trans	-63.7	-44	171.3	-58.9	0	0	0	0	111	A729 L735 Y736 C737	A729-T733 WeakPolarHBondContact O-CB 3.26Å; A729-T733 PolarHBondContact O-N 3.49Å; A729-T733 PolarHBondContact O-OG1 3.13Å; A729-T733 VanDerWaalsContact O-OG1 3.05Å; T733-L735 VanDerWaalsContact C-N 3.25Å; T733-L735 PolarHBondContact O-N 3.05Å; T733-Y736 PolarHBondContact O-N 3.08Å; T733-C737 WeakPolarHBondContact O-CB 3.24Å; T733-C737 PolarHBondContact O-N 2.87Å; T733-C737 PolarHBondContact O-SG 3.32Å; T733-C737 VanDerWaalsContact O-SG 3.34Å
734	Q	80.7	Confident	75.1	Confident	110 Å²	110	75 Å²	75	51%	0.514	40%	0.395	S	S	.	.	H	α-helix	trans	-57.3	-40.1	172.3	-77.7	-175.9	22.3	0	0	112.1	A730 H738	A730-Q734 WeakPolarHBondContact O-CB 3.33Å; A730-Q734 WeakPolarHBondContact O-CG 3.44Å; A730-Q734 PolarHBondContact O-N 3.13Å; Q734-H738 WeakPolarHBondContact O-CB 3.46Å; Q734-H738 PolarHBondContact O-N 3.1Å; Q734-H738 VanDerWaalsContact O-N 3.16Å
735	L	79.6	Confident	73.2	Confident	3 Å²	3	79.8 Å²	79.8	2%	0.016	43%	0.434	C	S	.	.	H	α-helix	trans	-64.4	-49.5	177.3	-179.4	55	0	0	0	111.3	R637 V641 V731 Y732 T733 H738 L739 L753	R637-L735 HydrophobicContact CB-CD2 4.24Å; V641-L735 HydrophobicContact CB-CD1 3.82Å; V641-L735 HydrophobicContact CG1-CD1 3.94Å; V641-L735 HydrophobicContact CG2-CD1 4.12Å; V731-L735 PolarHBondContact O-N 3.05Å; Y732-L735 HydrophobicContact CE2-CD2 4.39Å; Y732-L735 WeakPolarHBondContact O-CB 3.39Å; Y732-L735 PolarHBondContact O-N 2.88Å; T733-L735 VanDerWaalsContact C-N 3.25Å; T733-L735 PolarHBondContact O-N 3.05Å; L735-H738 PolarHBondContact O-N 3.13Å; L735-H738 VanDerWaalsContact O-N 3.11Å; L735-L739 HydrophobicContact CD1-CD1 3.54Å; L735-L739 HydrophobicContact CG-CD1 3.85Å; L735-L739 VanDerWaalsContact O-CD1 3.23Å; L735-L739 WeakPolarHBondContact O-CD1 3.14Å; L735-L739 PolarHBondContact O-N 2.98Å; L735-L753 HydrophobicContact CD2-CD1 3.65Å; L735-L753 HydrophobicContact CG-CD1 4.41Å
736	Y	74.4	Confident	71.9	Confident	164 Å²	164	81.6 Å²	81.6	64%	0.643	45%	0.445	S	S	*	.	H	α-helix	trans	-62.8	-44.7	179.9	-165.5	-94.6	0	0	0	112.7	Y732 T733 H738 L739 G740	Y732-Y736 PolarHBondContact O-N 2.82Å; T733-Y736 PolarHBondContact O-N 3.08Å; Y736-H738 PolarHBondContact O-N 3.22Å; Y736-L739 PolarHBondContact O-N 3.04Å; Y736-L739 VanDerWaalsContact O-N 3.16Å; Y736-G740 PolarHBondContact O-N 3.29Å
737	C	74.8	Confident	70.5	Confident	83 Å²	83	81.1 Å²	81.1	56%	0.561	45%	0.449	S	S	*	.	H	α-helix	trans	-63.3	-23.7	174.8	-67.7	0	0	0	0	113.3	T733	T733-C737 WeakPolarHBondContact O-CB 3.24Å; T733-C737 PolarHBondContact O-N 2.87Å; T733-C737 PolarHBondContact O-SG 3.32Å; T733-C737 VanDerWaalsContact O-SG 3.34Å
738	H	68.3	Low	69	Low	86 Å²	86	81.8 Å²	81.8	40%	0.398	45%	0.453	S	S	.	.	H	α-helix	trans	-86.8	-29.3	174.6	-154.9	-42.6	0	0	0	112.8	L645 Q734 L735 Y736	L645-H738 WeakPolarHBondContact CD2-CE1 3.18Å; Q734-H738 WeakPolarHBondContact O-CB 3.46Å; Q734-H738 PolarHBondContact O-N 3.1Å; Q734-H738 VanDerWaalsContact O-N 3.16Å; L735-H738 PolarHBondContact O-N 3.13Å; L735-H738 VanDerWaalsContact O-N 3.11Å; Y736-H738 PolarHBondContact O-N 3.22Å
739	L	67.9	Low	67.8	Low	33 Å²	33	85.1 Å²	85.1	17%	0.173	47%	0.469	C	S	.	.	H	α-helix	trans	-67.1	-37.2	169.3	-97.7	89.8	0	0	0	112.2	V641 L735 Y736 R741 V742 L744 L753	V641-L739 HydrophobicContact CG1-CD1 3.97Å; L735-L739 HydrophobicContact CD1-CD1 3.54Å; L735-L739 HydrophobicContact CG-CD1 3.85Å; L735-L739 VanDerWaalsContact O-CD1 3.23Å; L735-L739 WeakPolarHBondContact O-CD1 3.14Å; L735-L739 PolarHBondContact O-N 2.98Å; Y736-L739 PolarHBondContact O-N 3.04Å; Y736-L739 VanDerWaalsContact O-N 3.16Å; L739-R741 PolarHBondContact O-N 2.93Å; L739-V742 PolarHBondContact O-N 3.43Å; L739-L744 HydrophobicContact CD2-CD1 3.67Å; L739-L744 HydrophobicContact CG-CD1 3.88Å; L739-L753 HydrophobicContact CD1-CD2 4.09Å; L739-L753 HydrophobicContact CD2-CD2 3.35Å; L739-L753 HydrophobicContact CG-CD2 4.38Å
740	G	57.5	Low	66.8	Low	70 Å²	70	84.9 Å²	84.9	72%	0.722	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	11	-178.9	0	0	0	0	0	116.4	Y736	Y736-G740 PolarHBondContact O-N 3.29Å
741	R	54.2	Low	65.9	Low	218 Å²	218	83.4 Å²	83.4	82%	0.823	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-5.2	173.6	-64.2	-177.4	175.8	179.8	-2	113.5	L739	L739-R741 PolarHBondContact O-N 2.93Å
742	V	57.8	Low	65	Low	62 Å²	62	83.8 Å²	83.8	38%	0.376	46%	0.458	S	S	.	.	S	Bend	trans	-149.8	122.5	-172.5	-173.7	0	0	0	0	110.5	L645 L739	L645-V742 HydrophobicContact CD1-CG1 4.24Å; L645-V742 HydrophobicContact CD1-CG2 3.93Å; L645-V742 HydrophobicContact CD2-CG2 4.42Å; L739-V742 PolarHBondContact O-N 3.43Å
743	E	53.4	Low	64.5	Low	193 Å²	193	83.2 Å²	83.2	90%	0.902	46%	0.457	S	S	*	.			trans	-72.3	130.6	170.3	-64.4	-178	130.1	0	0	110.5
744	L	56.6	Low	64.1	Low	61 Å²	61	87.3 Å²	87.3	32%	0.319	46%	0.463	S	S	.	.			trans	-87.9	121.6	172.3	-79.3	78.9	0	0	0	109.3	L739 D746	L739-L744 HydrophobicContact CD2-CD1 3.67Å; L739-L744 HydrophobicContact CG-CD1 3.88Å; L744-D746 PolarHBondContact O-N 3.36Å
745	A	47.8	Very low	63.9	Low	113 Å²	113	82.5 Å²	82.5	93%	0.934	44%	0.44	S	S	*	.			trans	-76.9	5.9	177.3	0	0	0	0	0	114.5
746	D	59	Low	63.7	Low	58 Å²	58	82.6 Å²	82.6	31%	0.31	44%	0.441	S	S	.	.			trans	-117.4	113.2	-170.1	-171.7	-20	0	0	0	111.4	L744 E748 Q749 T750	L744-D746 PolarHBondContact O-N 3.36Å; D746-E748 PolarHBondContact OD1-N 2.95Å; D746-Q749 HydrophobicContact CB-CB 4.48Å; D746-Q749 HydrophobicContact CB-CG 4.46Å; D746-Q749 WeakPolarHBondContact OD2-CG 3.46Å; D746-Q749 PolarHBondContact OD2-NE2 2.84Å; D746-T750 PolarHBondContact O-N 3.44Å; D746-T750 PolarHBondContact O-OG1 3.48Å
747	P	58.3	Low	63.8	Low	110 Å²	110	76.3 Å²	76.3	71%	0.714	42%	0.423	S	S	*	.	H	α-helix	trans	-72.1	-33.2	-175.2	28.6	-34.1	0	0	0	113.4	T750 G751	P747-T750 PolarHBondContact O-N 2.96Å; P747-G751 PolarHBondContact O-N 3.22Å
748	E	57.8	Low	64	Low	123 Å²	123	79 Å²	79	58%	0.575	42%	0.421	S	S	*	.	H	α-helix	trans	-63.2	-49.1	-179.7	-80.3	-172.9	-147.9	0	0	110.9	D746 T750 G751 A752	D746-E748 PolarHBondContact OD1-N 2.95Å; E748-T750 VanDerWaalsContact C-N 3.28Å; E748-T750 PolarHBondContact O-N 3.37Å; E748-G751 PolarHBondContact O-N 3.08Å; E748-A752 WeakPolarHBondContact O-CB 3.46Å; E748-A752 PolarHBondContact O-N 3.04Å
749	Q	60.7	Low	64.6	Low	71 Å²	71	75 Å²	75	33%	0.332	40%	0.403	S	S	.	.	H	α-helix	trans	-65.2	-35.8	-179	-63	-169.6	53.1	0	0	111.5	D746 A752 L753	D746-Q749 HydrophobicContact CB-CB 4.48Å; D746-Q749 HydrophobicContact CB-CG 4.46Å; D746-Q749 WeakPolarHBondContact OD2-CG 3.46Å; D746-Q749 PolarHBondContact OD2-NE2 2.84Å; Q749-A752 PolarHBondContact O-N 3.11Å; Q749-L753 VanDerWaalsContact O-CB 3.3Å; Q749-L753 WeakPolarHBondContact O-CB 3.45Å; Q749-L753 PolarHBondContact O-N 2.95Å
750	T	63.5	Low	65.3	Low	40 Å²	40	74.2 Å²	74.2	25%	0.245	40%	0.399	C	S	.	.	H	α-helix	trans	-65.9	-39.6	175.3	-56.2	0	0	0	0	111.7	D746 P747 E748 R754	D746-T750 PolarHBondContact O-N 3.44Å; D746-T750 PolarHBondContact O-OG1 3.48Å; P747-T750 PolarHBondContact O-N 2.96Å; E748-T750 VanDerWaalsContact C-N 3.28Å; E748-T750 PolarHBondContact O-N 3.37Å; T750-R754 VanDerWaalsContact O-CG 3.31Å; T750-R754 WeakPolarHBondContact O-CG 3.46Å; T750-R754 PolarHBondContact O-N 3.33Å
751	G	65.6	Low	66.5	Low	20 Å²	20	76.5 Å²	76.5	21%	0.206	39%	0.389	C	S	.	.	H	α-helix	trans	-65.4	-48.4	172.1	0	0	0	0	0	112.7	P747 E748 L753 R754 H755	P747-G751 PolarHBondContact O-N 3.22Å; E748-G751 PolarHBondContact O-N 3.08Å; G751-L753 VanDerWaalsContact C-N 3.3Å; G751-L753 PolarHBondContact O-N 3Å; G751-R754 PolarHBondContact O-N 3.08Å; G751-H755 PolarHBondContact O-N 2.92Å
752	A	66.2	Low	67.9	Low	26 Å²	26	67.1 Å²	67.1	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-62	-34.9	179.8	0	0	0	0	0	113.2	E748 Q749 V756	E748-A752 WeakPolarHBondContact O-CB 3.46Å; E748-A752 PolarHBondContact O-N 3.04Å; Q749-A752 PolarHBondContact O-N 3.11Å; A752-V756 PolarHBondContact O-N 3.36Å
753	L	69.8	Low	69.2	Low	19 Å²	19	64.3 Å²	64.3	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-66.6	-52.3	173	-177.7	64.5	0	0	0	111	Y732 L735 L739 Q749 G751 H755 V756 A757	Y732-L753 HydrophobicContact CE2-CD1 3.91Å; Y732-L753 WeakPolarHBondContact OH-CD1 3.41Å; Y732-L753 VanDerWaalsContact OH-CG 3.31Å; Y732-L753 WeakPolarHBondContact OH-CG 3.49Å; Y732-L753 PolarHBondContact OH-O 3.32Å; L735-L753 HydrophobicContact CD2-CD1 3.65Å; L735-L753 HydrophobicContact CG-CD1 4.41Å; L739-L753 HydrophobicContact CD1-CD2 4.09Å; L739-L753 HydrophobicContact CD2-CD2 3.35Å; L739-L753 HydrophobicContact CG-CD2 4.38Å; Q749-L753 VanDerWaalsContact O-CB 3.3Å; Q749-L753 WeakPolarHBondContact O-CB 3.45Å; Q749-L753 PolarHBondContact O-N 2.95Å; G751-L753 VanDerWaalsContact C-N 3.3Å; G751-L753 PolarHBondContact O-N 3Å; L753-H755 VanDerWaalsContact C-N 3.26Å; L753-H755 PolarHBondContact O-N 3.38Å; L753-V756 PolarHBondContact O-N 3.04Å; L753-V756 VanDerWaalsContact O-N 3.12Å; L753-A757 PolarHBondContact O-N 3.19Å; L753-A757 VanDerWaalsContact O-N 3.08Å
754	R	72.9	Confident	70.6	Confident	170 Å²	170	57.5 Å²	57.5	64%	0.642	31%	0.312	S	S	*	.	H	α-helix	trans	-56	-39.3	177.2	-73.4	172.4	-179.4	-178.1	1.8	112.4	T750 G751 A757 W758	T750-R754 VanDerWaalsContact O-CG 3.31Å; T750-R754 WeakPolarHBondContact O-CG 3.46Å; T750-R754 PolarHBondContact O-N 3.33Å; G751-R754 PolarHBondContact O-N 3.08Å; R754-A757 WeakPolarHBondContact O-CB 3.4Å; R754-A757 PolarHBondContact O-N 3.43Å; R754-W758 PolarHBondContact O-N 3.06Å; R754-W758 VanDerWaalsContact O-N 3.09Å
755	H	74.9	Confident	72	Confident	9 Å²	9	58.4 Å²	58.4	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-43.5	177.3	177.3	64.5	0	0	0	112.4	G751 L753 A757 W758 L759 L808 Y809	G751-H755 PolarHBondContact O-N 2.92Å; L753-H755 VanDerWaalsContact C-N 3.26Å; L753-H755 PolarHBondContact O-N 3.38Å; H755-A757 VanDerWaalsContact C-N 3.33Å; H755-A757 PolarHBondContact O-N 3.29Å; H755-W758 PolarHBondContact O-N 2.68Å; H755-L759 WeakPolarHBondContact NE2-CD1 3.46Å; H755-L759 PolarHBondContact O-N 3.11Å; H755-L759 VanDerWaalsContact O-N 3.11Å; H755-L808 VanDerWaalsContact CE1-C 3.46Å; H755-L808 PolarHBondContact CE1-O 3.43Å; H755-L808 PolarHBondContact ND1-O 3.05Å; H755-Y809 AromaticContact CD2-CD2 3.96Å; H755-Y809 WeakPolarHBondContact CE1-CA 3.48Å; H755-Y809 PolarHBondContact CE1-N 3.06Å; H755-Y809 AromaticContact NE2-CD2 3.53Å
756	V	76.8	Confident	73.9	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.03	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-35.1	176	174.5	0	0	0	0	111.7	R637 Y732 A752 L753 L759 I760	R637-V756 HydrophobicContact CG-CG1 4.49Å; R637-V756 HydrophobicContact CG-CG2 4.2Å; Y732-V756 HydrophobicContact CE2-CG1 4.2Å; A752-V756 PolarHBondContact O-N 3.36Å; L753-V756 PolarHBondContact O-N 3.04Å; L753-V756 VanDerWaalsContact O-N 3.12Å; V756-L759 PolarHBondContact O-N 3.19Å; V756-I760 HydrophobicContact CG1-CD1 3.81Å; V756-I760 HydrophobicContact CG1-CG1 4.41Å; V756-I760 VanDerWaalsContact O-CG1 3.3Å; V756-I760 WeakPolarHBondContact O-CG1 3.28Å; V756-I760 PolarHBondContact O-N 3.16Å
757	A	76	Confident	75.2	Confident	32 Å²	32	53.7 Å²	53.7	26%	0.264	27%	0.272	S	S	.	.	H	α-helix	trans	-58.1	-46.7	170.1	0	0	0	0	0	112.5	Y732 L753 R754 H755 L759 I760 F761	Y732-A757 HydrophobicContact CE1-CB 3.78Å; Y732-A757 WeakPolarHBondContact OH-CB 3.42Å; L753-A757 PolarHBondContact O-N 3.19Å; L753-A757 VanDerWaalsContact O-N 3.08Å; R754-A757 WeakPolarHBondContact O-CB 3.4Å; R754-A757 PolarHBondContact O-N 3.43Å; H755-A757 VanDerWaalsContact C-N 3.33Å; H755-A757 PolarHBondContact O-N 3.29Å; A757-L759 VanDerWaalsContact C-N 3.35Å; A757-L759 PolarHBondContact O-N 2.87Å; A757-I760 PolarHBondContact O-N 2.95Å; A757-F761 WeakPolarHBondContact O-CB 3.39Å; A757-F761 PolarHBondContact O-N 2.93Å
758	W	79.9	Confident	76.3	Confident	140 Å²	140	52 Å²	52	53%	0.53	26%	0.262	S	S	.	.	H	α-helix	trans	-61.5	-41.1	179.3	-80.2	113.3	0	0	0	112.4	R754 H755 F761 T762	R754-W758 PolarHBondContact O-N 3.06Å; R754-W758 VanDerWaalsContact O-N 3.09Å; H755-W758 PolarHBondContact O-N 2.68Å; W758-F761 HydrophobicContact CE3-CD1 4.22Å; W758-F761 HydrophobicContact CZ3-CD1 4.13Å; W758-F761 HydrophobicContact CZ3-CE1 4.34Å; W758-F761 PolarHBondContact O-N 2.98Å; W758-T762 WeakPolarHBondContact O-CG2 3.24Å; W758-T762 PolarHBondContact O-N 2.92Å; W758-T762 PolarHBondContact O-OG1 3.05Å
759	L	80.3	Confident	77.5	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-51.7	172.9	-65	176.6	0	0	0	111.4	M571 L574 L630 H755 V756 A757 F761 T762 N763 N805 L808	M571-L759 HydrophobicContact CE-CD1 3.95Å; M571-L759 HydrophobicContact SD-CD1 4.07Å; L574-L759 HydrophobicContact CD2-CD1 4.35Å; L630-L759 HydrophobicContact CD1-CB 3.95Å; H755-L759 WeakPolarHBondContact NE2-CD1 3.46Å; H755-L759 PolarHBondContact O-N 3.11Å; H755-L759 VanDerWaalsContact O-N 3.11Å; V756-L759 PolarHBondContact O-N 3.19Å; A757-L759 VanDerWaalsContact C-N 3.35Å; A757-L759 PolarHBondContact O-N 2.87Å; L759-F761 VanDerWaalsContact C-N 3.28Å; L759-F761 PolarHBondContact O-N 3.04Å; L759-T762 PolarHBondContact O-N 3.32Å; L759-T762 PolarHBondContact O-OG1 3.13Å; L759-N763 WeakPolarHBondContact O-CB 3.5Å; L759-N763 PolarHBondContact O-N 3.25Å; L759-N763 PolarHBondContact O-ND2 3.45Å; L759-N805 HydrophobicContact CD2-CB 4.1Å; L759-N805 WeakPolarHBondContact CD2-OD1 3.46Å; L759-L808 HydrophobicContact CD2-CB 4.37Å; L759-L808 HydrophobicContact CD2-CD1 4.35Å
760	I	81.3	Confident	78.4	Confident	16 Å²	16	45.2 Å²	45.2	8%	0.082	23%	0.234	C	C	.	.	H	α-helix	trans	-57.9	-43.1	-179.1	-65.4	164.2	0	0	0	111	L630 A634 T728 Y732 V756 A757 C764	L630-I760 HydrophobicContact CD1-CG1 4.02Å; L630-I760 HydrophobicContact CG-CG1 4.18Å; A634-I760 HydrophobicContact CB-CD1 4.13Å; T728-I760 HydrophobicContact CG2-CB 4.47Å; T728-I760 HydrophobicContact CG2-CD1 3.76Å; T728-I760 HydrophobicContact CG2-CG1 3.73Å; T728-I760 HydrophobicContact CG2-CG2 3.9Å; Y732-I760 HydrophobicContact CD2-CD1 3.52Å; Y732-I760 HydrophobicContact CE2-CD1 4.12Å; Y732-I760 HydrophobicContact CG-CD1 3.96Å; V756-I760 HydrophobicContact CG1-CD1 3.81Å; V756-I760 HydrophobicContact CG1-CG1 4.41Å; V756-I760 VanDerWaalsContact O-CG1 3.3Å; V756-I760 WeakPolarHBondContact O-CG1 3.28Å; V756-I760 PolarHBondContact O-N 3.16Å; A757-I760 PolarHBondContact O-N 2.95Å; I760-C764 WeakPolarHBondContact O-CB 3.47Å; I760-C764 PolarHBondContact O-N 3.36Å; I760-C764 VanDerWaalsContact O-N 3.15Å
761	F	83.1	Confident	79.2	Confident	118 Å²	118	43.9 Å²	43.9	52%	0.518	23%	0.228	S	C	.	.	H	α-helix	trans	-64.9	-48.1	179.7	-175.8	-111.4	0	0	0	112.8	A757 W758 L759 I765	A757-F761 WeakPolarHBondContact O-CB 3.39Å; A757-F761 PolarHBondContact O-N 2.93Å; W758-F761 HydrophobicContact CE3-CD1 4.22Å; W758-F761 HydrophobicContact CZ3-CD1 4.13Å; W758-F761 HydrophobicContact CZ3-CE1 4.34Å; W758-F761 PolarHBondContact O-N 2.98Å; L759-F761 VanDerWaalsContact C-N 3.28Å; L759-F761 PolarHBondContact O-N 3.04Å; F761-I765 HydrophobicContact CD1-CD1 3.88Å; F761-I765 HydrophobicContact CD2-CD1 4.24Å; F761-I765 HydrophobicContact CE1-CD1 3.49Å; F761-I765 VanDerWaalsContact CE1-CD1 3.49Å; F761-I765 HydrophobicContact CE2-CD1 3.87Å; F761-I765 HydrophobicContact CG-CD1 4.25Å; F761-I765 HydrophobicContact CZ-CD1 3.49Å; F761-I765 VanDerWaalsContact CZ-CD1 3.49Å; F761-I765 WeakPolarHBondContact O-CG1 3.18Å; F761-I765 PolarHBondContact O-N 3.08Å; F761-I765 VanDerWaalsContact O-N 3.08Å
762	T	84.1	Confident	79.8	Confident	21 Å²	21	45.8 Å²	45.8	13%	0.129	24%	0.241	C	C	.	.	H	α-helix	trans	-69.3	-42.6	-178.2	54.4	0	0	0	0	112.6	W758 L759 C764 I765 F766 L808	W758-T762 WeakPolarHBondContact O-CG2 3.24Å; W758-T762 PolarHBondContact O-N 2.92Å; W758-T762 PolarHBondContact O-OG1 3.05Å; L759-T762 PolarHBondContact O-N 3.32Å; L759-T762 PolarHBondContact O-OG1 3.13Å; T762-C764 VanDerWaalsContact C-N 3.32Å; T762-C764 PolarHBondContact O-N 3.33Å; T762-I765 PolarHBondContact O-N 3Å; T762-F766 WeakPolarHBondContact O-CD2 3.42Å; T762-F766 PolarHBondContact O-N 2.86Å; T762-F766 VanDerWaalsContact O-N 3.1Å; T762-L808 HydrophobicContact CG2-CD1 3.99Å
763	N	84.8	Confident	80.2	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-40.7	178.8	-72.5	-106.1	0	0	0	110.7	L630 Y725 L759 F766 F767 P801 N805	L630-N763 HydrophobicContact CD2-CB 3.83Å; Y725-N763 HydrophobicContact CE1-CB 3.86Å; L759-N763 WeakPolarHBondContact O-CB 3.5Å; L759-N763 PolarHBondContact O-N 3.25Å; L759-N763 PolarHBondContact O-ND2 3.45Å; N763-F766 PolarHBondContact O-N 2.96Å; N763-F767 WeakPolarHBondContact O-CB 3.34Å; N763-F767 PolarHBondContact O-N 3.11Å; N763-P801 VanDerWaalsContact OD1-CB 3.31Å; N763-P801 WeakPolarHBondContact OD1-CB 3.49Å; N763-N805 PolarHBondContact ND2-OD1 2.83Å; N763-N805 PolarHBondContact OD1-ND2 2.85Å
764	C	83.9	Confident	80.3	Confident	51 Å²	51	46.2 Å²	46.2	35%	0.345	24%	0.239	S	C	.	.	H	α-helix	trans	-62.7	-45.2	175.3	-172.8	0	0	0	0	112.4	Y725 I760 T762 F766 F767 C768	Y725-C764 HydrophobicContact CD1-CB 4.33Å; I760-C764 WeakPolarHBondContact O-CB 3.47Å; I760-C764 PolarHBondContact O-N 3.36Å; I760-C764 VanDerWaalsContact O-N 3.15Å; T762-C764 VanDerWaalsContact C-N 3.32Å; T762-C764 PolarHBondContact O-N 3.33Å; C764-F766 PolarHBondContact O-N 3.29Å; C764-F767 PolarHBondContact O-N 2.99Å; C764-C768 PolarHBondContact O-N 3.43Å; C764-C768 PolarHBondContact O-SG 2.9Å; C764-C768 VanDerWaalsContact O-SG 3.38Å
765	I	86.4	Confident	80.1	Confident	80 Å²	80	40.7 Å²	40.7	41%	0.41	22%	0.22	S	C	.	.	H	α-helix	trans	-60.2	-45.6	178.1	-75.9	171.4	0	0	0	112	F761 T762 F767 C768 P769	F761-I765 HydrophobicContact CD1-CD1 3.88Å; F761-I765 HydrophobicContact CD2-CD1 4.24Å; F761-I765 HydrophobicContact CE1-CD1 3.49Å; F761-I765 VanDerWaalsContact CE1-CD1 3.49Å; F761-I765 HydrophobicContact CE2-CD1 3.87Å; F761-I765 HydrophobicContact CG-CD1 4.25Å; F761-I765 HydrophobicContact CZ-CD1 3.49Å; F761-I765 VanDerWaalsContact CZ-CD1 3.49Å; F761-I765 WeakPolarHBondContact O-CG1 3.18Å; F761-I765 PolarHBondContact O-N 3.08Å; F761-I765 VanDerWaalsContact O-N 3.08Å; T762-I765 PolarHBondContact O-N 3Å; I765-F767 VanDerWaalsContact C-N 3.34Å; I765-C768 PolarHBondContact O-N 3.23Å; I765-P769 WeakPolarHBondContact O-CD 3.44Å
766	F	87.3	Confident	79.8	Confident	38 Å²	38	40.9 Å²	40.9	17%	0.167	22%	0.223	C	C	.	.	H	α-helix	trans	-77.1	-20.1	-178	-58.3	-51.6	0	0	0	113.4	T762 N763 C764 F797 L800 P801 L804	T762-F766 WeakPolarHBondContact O-CD2 3.42Å; T762-F766 PolarHBondContact O-N 2.86Å; T762-F766 VanDerWaalsContact O-N 3.1Å; N763-F766 PolarHBondContact O-N 2.96Å; C764-F766 PolarHBondContact O-N 3.29Å; F766-F797 HydrophobicContact CB-CD1 4.46Å; F766-F797 AromaticContact CD1-CD1 3.93Å; F766-F797 HydrophobicContact CD1-CD1 3.93Å; F766-F797 HydrophobicContact CD1-CE1 4.07Å; F766-L800 HydrophobicContact CD1-CD2 3.68Å; F766-L800 HydrophobicContact CD2-CD2 4.23Å; F766-L800 HydrophobicContact CE1-CD2 3.56Å; F766-L800 HydrophobicContact CE2-CD2 4.14Å; F766-L800 HydrophobicContact CG-CD2 4.03Å; F766-L800 HydrophobicContact CZ-CD2 3.81Å; F766-P801 HydrophobicContact CB-CG 4.05Å; F766-P801 HydrophobicContact CD2-CG 4.41Å; F766-L804 HydrophobicContact CD2-CD1 4.24Å; F766-L804 HydrophobicContact CE2-CD1 3.36Å; F766-L804 HydrophobicContact CZ-CD1 3.68Å
767	F	84.8	Confident	79.2	Confident	34 Å²	34	43 Å²	43	15%	0.149	24%	0.237	C	C	.	.	H	α-helix	trans	-70.3	-35.5	170.4	-179.5	-107	0	0	0	112.8	V718 N721 A722 Y725 N763 C764 I765 V770 A771	V718-F767 HydrophobicContact CG1-CZ 3.98Å; N721-F767 HydrophobicContact CB-CD2 4.49Å; N721-F767 HydrophobicContact CB-CE1 4.4Å; N721-F767 HydrophobicContact CB-CE2 3.55Å; N721-F767 HydrophobicContact CB-CZ 3.49Å; N721-F767 VanDerWaalsContact CB-CZ 3.49Å; A722-F767 HydrophobicContact CB-CE1 4.18Å; Y725-F767 HydrophobicContact CD2-CB 4.41Å; Y725-F767 AromaticContact CD2-CD1 3.75Å; Y725-F767 HydrophobicContact CD2-CD1 3.75Å; Y725-F767 HydrophobicContact CD2-CD2 4.48Å; Y725-F767 HydrophobicContact CD2-CE1 4.1Å; Y725-F767 AromaticContact CD2-CG 3.96Å; Y725-F767 HydrophobicContact CD2-CG 3.96Å; Y725-F767 HydrophobicContact CE2-CB 3.79Å; Y725-F767 AromaticContact CE2-CD1 3.84Å; Y725-F767 HydrophobicContact CE2-CD1 3.84Å; Y725-F767 AromaticContact CE2-CD2 3.83Å; Y725-F767 HydrophobicContact CE2-CD2 3.83Å; Y725-F767 HydrophobicContact CE2-CE1 4.38Å; Y725-F767 HydrophobicContact CE2-CE2 4.37Å; Y725-F767 AromaticContact CE2-CG 3.53Å; Y725-F767 HydrophobicContact CE2-CG 3.53Å; N763-F767 WeakPolarHBondContact O-CB 3.34Å; N763-F767 PolarHBondContact O-N 3.11Å; C764-F767 PolarHBondContact O-N 2.99Å; I765-F767 VanDerWaalsContact C-N 3.34Å; F767-V770 PolarHBondContact O-N 3.02Å; F767-V770 VanDerWaalsContact O-N 3.12Å; F767-A771 HydrophobicContact CD1-CB 4.24Å; F767-A771 HydrophobicContact CE1-CB 3.82Å; F767-A771 HydrophobicContact CZ-CB 3.97Å; F767-A771 PolarHBondContact O-N 3.29Å
768	C	83.2	Confident	78.7	Confident	74 Å²	74	45.8 Å²	45.8	50%	0.5	25%	0.247	S	C	.	.	H	α-helix	trans	-55	-47.6	-175.7	-74.1	0	0	0	0	114.5	C764 I765 A772	C764-C768 PolarHBondContact O-N 3.43Å; C764-C768 PolarHBondContact O-SG 2.9Å; C764-C768 VanDerWaalsContact O-SG 3.38Å; I765-C768 PolarHBondContact O-N 3.23Å; C768-A772 WeakPolarHBondContact O-CB 3.17Å; C768-A772 PolarHBondContact O-N 2.9Å
769	P	83	Confident	77.8	Confident	36 Å²	36	45.9 Å²	45.9	23%	0.234	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-46.2	173	-26.2	35.4	0	0	0	113.2	I765 A771 A772 F773 V793 F797	I765-P769 WeakPolarHBondContact O-CD 3.44Å; P769-A771 PolarHBondContact O-N 3.35Å; P769-A772 PolarHBondContact O-N 3Å; P769-F773 WeakPolarHBondContact O-CD2 3.24Å; P769-F773 PolarHBondContact O-N 3.44Å; P769-V793 HydrophobicContact CB-CG1 3.84Å; P769-F797 HydrophobicContact CB-CD1 4.24Å; P769-F797 HydrophobicContact CB-CG 4.33Å; P769-F797 HydrophobicContact CG-CD1 3.88Å; P769-F797 HydrophobicContact CG-CE1 3.98Å; P769-F797 HydrophobicContact CG-CG 4.46Å
770	V	79.5	Confident	76.7	Confident	15 Å²	15	50 Å²	50	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-42.7	-177.7	-177.3	0	0	0	0	110.9	F767 S774 F797 F798	F767-V770 PolarHBondContact O-N 3.02Å; F767-V770 VanDerWaalsContact O-N 3.12Å; V770-S774 WeakPolarHBondContact O-CB 3.48Å; V770-S774 PolarHBondContact O-N 3.1Å; V770-S774 PolarHBondContact O-OG 3.16Å; V770-F797 HydrophobicContact CG2-CB 3.77Å; V770-F798 HydrophobicContact CG2-CB 4.48Å
771	A	79.4	Confident	75.5	Confident	13 Å²	13	52.9 Å²	52.9	11%	0.107	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-44.5	174.7	0	0	0	0	0	111.9	V718 F767 P769 F773 S774 F775	V718-A771 HydrophobicContact CG1-CB 3.76Å; F767-A771 HydrophobicContact CD1-CB 4.24Å; F767-A771 HydrophobicContact CE1-CB 3.82Å; F767-A771 HydrophobicContact CZ-CB 3.97Å; F767-A771 PolarHBondContact O-N 3.29Å; P769-A771 PolarHBondContact O-N 3.35Å; A771-F773 PolarHBondContact O-N 3.04Å; A771-S774 WeakPolarHBondContact O-CB 3.35Å; A771-S774 PolarHBondContact O-N 2.93Å; A771-S774 VanDerWaalsContact O-N 3.16Å; A771-F775 VanDerWaalsContact O-CD2 3.26Å; A771-F775 WeakPolarHBondContact O-CD2 3.46Å; A771-F775 PolarHBondContact O-N 2.86Å
772	A	78.1	Confident	74.2	Confident	59 Å²	59	50.7 Å²	50.7	49%	0.488	32%	0.316	S	S	.	.	H	α-helix	trans	-61.1	-46.9	-179.9	0	0	0	0	0	112.5	C768 P769 S774 F775 A776	C768-A772 WeakPolarHBondContact O-CB 3.17Å; C768-A772 PolarHBondContact O-N 2.9Å; P769-A772 PolarHBondContact O-N 3Å; A772-S774 VanDerWaalsContact C-N 3.29Å; A772-S774 PolarHBondContact O-N 2.91Å; A772-F775 PolarHBondContact O-N 3.46Å; A772-A776 PolarHBondContact O-N 3.35Å
773	F	74.8	Confident	72.8	Confident	42 Å²	42	51.7 Å²	51.7	18%	0.184	32%	0.322	C	S	.	.	H	α-helix	trans	-68.6	-25.8	175.8	-82.5	-85	0	0	0	113.2	P769 A771 P777 A784 I789 A790 V793	P769-F773 WeakPolarHBondContact O-CD2 3.24Å; P769-F773 PolarHBondContact O-N 3.44Å; A771-F773 PolarHBondContact O-N 3.04Å; F773-P777 WeakPolarHBondContact O-CD 3.49Å; F773-A784 VanDerWaalsContact CE1-O 3.22Å; F773-A784 WeakPolarHBondContact CE1-O 3.32Å; F773-I789 HydrophobicContact CE1-CB 4.5Å; F773-I789 HydrophobicContact CE1-CG2 4Å; F773-I789 HydrophobicContact CZ-CG2 3.66Å; F773-A790 HydrophobicContact CD1-CB 3.68Å; F773-A790 HydrophobicContact CE1-CB 4.22Å; F773-V793 HydrophobicContact CD2-CB 4.17Å; F773-V793 HydrophobicContact CD2-CG1 3.8Å; F773-V793 HydrophobicContact CD2-CG2 4.25Å; F773-V793 HydrophobicContact CE2-CB 4.25Å; F773-V793 HydrophobicContact CE2-CG1 4.14Å; F773-V793 HydrophobicContact CE2-CG2 3.82Å; F773-V793 HydrophobicContact CZ-CG2 4.2Å
774	S	71.6	Confident	71.1	Confident	12 Å²	12	54.7 Å²	54.7	8%	0.084	35%	0.347	C	S	.	.	H	α-helix	trans	-72.2	-34.9	173	-57.1	0	0	0	0	113	F703 V770 A771 A772	F703-S774 WeakPolarHBondContact CE1-OG 3.46Å; V770-S774 WeakPolarHBondContact O-CB 3.48Å; V770-S774 PolarHBondContact O-N 3.1Å; V770-S774 PolarHBondContact O-OG 3.16Å; A771-S774 WeakPolarHBondContact O-CB 3.35Å; A771-S774 PolarHBondContact O-N 2.93Å; A771-S774 VanDerWaalsContact O-N 3.16Å; A772-S774 VanDerWaalsContact C-N 3.29Å; A772-S774 PolarHBondContact O-N 2.91Å
775	F	70.3	Confident	69.8	Low	54 Å²	54	54.9 Å²	54.9	24%	0.237	36%	0.358	C	S	.	.	H	α-helix	trans	-88.5	-23	179.3	-73.9	-62	0	0	0	114.5	V715 V718 L719 A771 A772 P777 L778 L779	V715-F775 HydrophobicContact CG1-CE1 4.35Å; V715-F775 HydrophobicContact CG2-CE1 4.46Å; V718-F775 HydrophobicContact CB-CE2 4.33Å; V718-F775 HydrophobicContact CB-CZ 4.25Å; V718-F775 HydrophobicContact CG1-CD2 4.16Å; V718-F775 HydrophobicContact CG1-CE2 3.41Å; V718-F775 VanDerWaalsContact CG1-CE2 3.41Å; V718-F775 HydrophobicContact CG1-CZ 3.8Å; L719-F775 HydrophobicContact CD2-CE1 4.47Å; L719-F775 HydrophobicContact CD2-CZ 3.87Å; L719-F775 HydrophobicContact CG-CE1 4.49Å; L719-F775 HydrophobicContact CG-CZ 4.04Å; A771-F775 VanDerWaalsContact O-CD2 3.26Å; A771-F775 WeakPolarHBondContact O-CD2 3.46Å; A771-F775 PolarHBondContact O-N 2.86Å; A772-F775 PolarHBondContact O-N 3.46Å; F775-P777 VanDerWaalsContact C-CD 3.44Å; F775-L778 HydrophobicContact CD1-CD1 4.31Å; F775-L778 WeakPolarHBondContact O-CB 3.25Å; F775-L778 PolarHBondContact O-N 3.48Å; F775-L779 HydrophobicContact CB-CD1 4.21Å; F775-L779 PolarHBondContact O-N 2.86Å
776	A	67.8	Low	69	Low	13 Å²	13	52.1 Å²	52.1	11%	0.107	35%	0.348	C	S	.	.	H	α-helix	trans	-50.8	-43.7	-178.1	0	0	0	0	0	114.7	A772 L778 L779 T780	A772-A776 PolarHBondContact O-N 3.35Å; A776-L778 PolarHBondContact O-N 3.01Å; A776-L778 VanDerWaalsContact O-N 3.13Å; A776-L779 PolarHBondContact O-N 3.17Å; A776-L779 VanDerWaalsContact O-N 3.16Å; A776-T780 PolarHBondContact O-N 3.4Å; A776-T780 PolarHBondContact O-OG1 3.3Å
777	P	64.3	Low	68.1	Low	51 Å²	51	53.3 Å²	53.3	33%	0.331	36%	0.36	S	S	.	.	H	α-helix	trans	-56.9	-30.3	177.3	-25.3	35.2	0	0	0	114.5	F773 F775 G781 T783	F773-P777 WeakPolarHBondContact O-CD 3.49Å; F775-P777 VanDerWaalsContact C-CD 3.44Å; P777-G781 PolarHBondContact O-N 3.38Å; P777-T783 HydrophobicContact CG-CG2 4.02Å
778	L	64.1	Low	67.6	Low	90 Å²	90	56.7 Å²	56.7	47%	0.471	38%	0.376	S	S	.	.	H	α-helix	trans	-86.4	-21.9	-177.5	-68.8	150.2	0	0	0	113.3	L711 V715 F775 A776	L711-L778 HydrophobicContact CD1-CD1 4.26Å; L711-L778 HydrophobicContact CD1-CG 4.35Å; L711-L778 HydrophobicContact CD2-CD2 3.86Å; L711-L778 HydrophobicContact CD2-CG 4.45Å; L711-L778 HydrophobicContact CG-CD2 4.23Å; V715-L778 HydrophobicContact CG2-CD1 3.29Å; F775-L778 HydrophobicContact CD1-CD1 4.31Å; F775-L778 WeakPolarHBondContact O-CB 3.25Å; F775-L778 PolarHBondContact O-N 3.48Å; A776-L778 PolarHBondContact O-N 3.01Å; A776-L778 VanDerWaalsContact O-N 3.13Å
779	L	61.6	Low	67.2	Low	142 Å²	142	57.1 Å²	57.1	74%	0.743	37%	0.373	S	S	*	.	H	α-helix	trans	-98.2	-36.2	-175.4	-68.5	171.7	0	0	0	112.9	F775 A776	F775-L779 HydrophobicContact CB-CD1 4.21Å; F775-L779 PolarHBondContact O-N 2.86Å; A776-L779 PolarHBondContact O-N 3.17Å; A776-L779 VanDerWaalsContact O-N 3.16Å
780	T	57	Low	66.9	Low	88 Å²	88	55.8 Å²	55.8	54%	0.54	37%	0.365	S	S	.	.	H	α-helix	trans	-123.2	5.6	-172.2	44	0	0	0	0	114.1	A776 S782	A776-T780 PolarHBondContact O-N 3.4Å; A776-T780 PolarHBondContact O-OG1 3.3Å; T780-S782 PolarHBondContact O-N 2.95Å; T780-S782 PolarHBondContact O-OG 3Å; T780-S782 PolarHBondContact OG1-O 3.46Å
781	G	56.2	Low	66.8	Low	77 Å²	77	55.6 Å²	55.6	79%	0.794	36%	0.363	S	S	*	.	S	Bend	trans	60.9	5.5	-177.5	0	0	0	0	0	114.6	P777	P777-G781 PolarHBondContact O-N 3.38Å
782	S	55.8	Low	66.9	Low	72 Å²	72	56.5 Å²	56.5	50%	0.503	37%	0.368	S	S	.	.	S	Bend	trans	-158.6	146.8	-169	56.3	0	0	0	0	108.1	T780	T780-S782 PolarHBondContact O-N 2.95Å; T780-S782 PolarHBondContact O-OG 3Å; T780-S782 PolarHBondContact OG1-O 3.46Å
783	T	55.9	Low	67.1	Low	42 Å²	42	54.6 Å²	54.6	26%	0.258	35%	0.351	S	S	.	.			trans	-79.3	123.2	176.7	38.1	0	0	0	0	109.9	P777 G785 G786	P777-T783 HydrophobicContact CG-CG2 4.02Å; T783-G785 PolarHBondContact O-N 2.97Å; T783-G785 VanDerWaalsContact O-N 3.14Å; T783-G786 PolarHBondContact O-N 3.49Å; T783-G786 WeakPolarHBondContact OG1-CA 3.31Å
784	A	47.8	Very low	67.4	Low	66 Å²	66	52.8 Å²	52.8	55%	0.545	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	115.9	175.2	0	0	0	0	0	110	F773	F773-A784 VanDerWaalsContact CE1-O 3.22Å; F773-A784 WeakPolarHBondContact CE1-O 3.32Å
785	G	57.5	Low	68	Low	55 Å²	55	52.8 Å²	52.8	57%	0.567	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	1.5	-172.5	0	0	0	0	0	115.5	T783 I789	T783-G785 PolarHBondContact O-N 2.97Å; T783-G785 VanDerWaalsContact O-N 3.14Å; G785-I789 VanDerWaalsContact O-CD1 3.31Å; G785-I789 WeakPolarHBondContact O-CD1 3.14Å; G785-I789 VanDerWaalsContact O-CG1 3.32Å; G785-I789 WeakPolarHBondContact O-CG1 3.4Å
786	G	68.2	Low	68.8	Low	21 Å²	21	52.1 Å²	52.1	22%	0.216	34%	0.34	C	S	.	.	H	α-helix	trans	78	173.9	174.3	0	0	0	0	0	115.6	T783 E788 I789 A790	T783-G786 PolarHBondContact O-N 3.49Å; T783-G786 WeakPolarHBondContact OG1-CA 3.31Å; G786-E788 PolarHBondContact O-N 3.31Å; G786-I789 PolarHBondContact O-N 3.3Å; G786-A790 PolarHBondContact O-N 3.4Å
787	P	70.1	Confident	69.8	Low	64 Å²	64	54.5 Å²	54.5	42%	0.416	35%	0.348	S	S	.	.	H	α-helix	trans	-73.1	-25.1	-168.1	29.9	-36.7	0	0	0	113.8	A511 F512 A790 K791	A511-P787 VanDerWaalsContact CB-C 3.44Å; A511-P787 HydrophobicContact CB-CB 3.84Å; A511-P787 HydrophobicContact CB-CG 4.22Å; A511-P787 WeakPolarHBondContact CB-O 3.32Å; F512-P787 HydrophobicContact CD2-CB 4.19Å; F512-P787 HydrophobicContact CE2-CB 4.11Å; F512-P787 WeakPolarHBondContact CE2-O 3.35Å; P787-A790 PolarHBondContact O-N 3.45Å; P787-K791 WeakPolarHBondContact O-CB 3.36Å; P787-K791 PolarHBondContact O-N 3.06Å
788	E	73.3	Confident	70.8	Confident	104 Å²	104	54 Å²	54	49%	0.486	34%	0.341	S	S	.	.	H	α-helix	trans	-67.6	-39.2	175.5	-62.7	-61	163.4	0	0	112.1	A511 G786 S792	A511-E788 VanDerWaalsContact CA-CD 3.5Å; A511-E788 WeakPolarHBondContact CA-OE1 3.3Å; A511-E788 HydrophobicContact CB-CB 4.43Å; A511-E788 HydrophobicContact CB-CG 3.99Å; A511-E788 VanDerWaalsContact CB-OE1 3.22Å; A511-E788 WeakPolarHBondContact CB-OE1 3.31Å; A511-E788 VanDerWaalsContact CB-OE2 3.25Å; A511-E788 WeakPolarHBondContact CB-OE2 3.43Å; A511-E788 PolarHBondContact N-OE1 2.88Å; G786-E788 PolarHBondContact O-N 3.31Å; E788-S792 WeakPolarHBondContact O-CB 3.49Å; E788-S792 PolarHBondContact O-N 3.02Å; E788-S792 PolarHBondContact O-OG 2.97Å
789	I	75.8	Confident	72	Confident	84 Å²	84	49.9 Å²	49.9	43%	0.431	32%	0.32	S	S	.	.	H	α-helix	trans	-69.9	-43.4	175	-60.2	-171.8	0	0	0	109.6	F773 G785 G786 K791 S792 V793	F773-I789 HydrophobicContact CE1-CB 4.5Å; F773-I789 HydrophobicContact CE1-CG2 4Å; F773-I789 HydrophobicContact CZ-CG2 3.66Å; G785-I789 VanDerWaalsContact O-CD1 3.31Å; G785-I789 WeakPolarHBondContact O-CD1 3.14Å; G785-I789 VanDerWaalsContact O-CG1 3.32Å; G785-I789 WeakPolarHBondContact O-CG1 3.4Å; G786-I789 PolarHBondContact O-N 3.3Å; I789-K791 VanDerWaalsContact C-N 3.34Å; I789-K791 PolarHBondContact O-N 3.27Å; I789-S792 PolarHBondContact O-N 2.95Å; I789-S792 VanDerWaalsContact O-N 3.17Å; I789-V793 HydrophobicContact CG2-CG2 4.1Å; I789-V793 WeakPolarHBondContact O-CB 3.44Å; I789-V793 WeakPolarHBondContact O-CG2 3.26Å; I789-V793 PolarHBondContact O-N 3.35Å
790	A	74.8	Confident	73.3	Confident	7 Å²	7	44.6 Å²	44.6	6%	0.058	29%	0.292	C	S	.	.	H	α-helix	trans	-56.8	-45.5	175.1	0	0	0	0	0	112.3	F512 F773 G786 P787 T794	F512-A790 HydrophobicContact CE2-CB 4.18Å; F512-A790 HydrophobicContact CZ-CB 4.07Å; F773-A790 HydrophobicContact CD1-CB 3.68Å; F773-A790 HydrophobicContact CE1-CB 4.22Å; G786-A790 PolarHBondContact O-N 3.4Å; P787-A790 PolarHBondContact O-N 3.45Å; A790-T794 WeakPolarHBondContact O-CB 3.46Å; A790-T794 PolarHBondContact O-N 2.99Å; A790-T794 PolarHBondContact O-OG1 3.15Å
791	K	79.4	Confident	74.8	Confident	11 Å²	11	41.2 Å²	41.2	5%	0.048	27%	0.272	C	S	.	.	H	α-helix	trans	-58.7	-48.3	173.8	172.5	176.8	179.5	-179.1	0	112	A511 F512 L518 P787 I789 T794 L795	A511-K791 HydrophobicContact CB-CB 4.33Å; A511-K791 HydrophobicContact CB-CD 4.13Å; A511-K791 WeakPolarHBondContact O-CD 3.41Å; A511-K791 WeakPolarHBondContact O-CE 3.37Å; A511-K791 PolarHBondContact O-NZ 2.91Å; F512-K791 HydrophobicContact CD1-CB 4.34Å; F512-K791 HydrophobicContact CE1-CB 3.82Å; F512-K791 HydrophobicContact CE1-CG 4.4Å; F512-K791 HydrophobicContact CE2-CB 4.35Å; F512-K791 HydrophobicContact CZ-CB 3.84Å; L518-K791 WeakPolarHBondContact O-CE 3.33Å; L518-K791 PolarHBondContact O-NZ 2.97Å; P787-K791 WeakPolarHBondContact O-CB 3.36Å; P787-K791 PolarHBondContact O-N 3.06Å; I789-K791 VanDerWaalsContact C-N 3.34Å; I789-K791 PolarHBondContact O-N 3.27Å; K791-T794 PolarHBondContact O-N 3.38Å; K791-L795 HydrophobicContact CG-CD1 3.91Å; K791-L795 WeakPolarHBondContact O-CB 3.26Å; K791-L795 WeakPolarHBondContact O-CG 3.5Å; K791-L795 PolarHBondContact O-N 3.3Å
792	S	80.8	Confident	76.3	Confident	33 Å²	33	37.7 Å²	37.7	23%	0.231	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-42.6	-177.8	-57.5	0	0	0	0	112.1	I524 E788 I789 L795 I796	I524-S792 WeakPolarHBondContact CD1-OG 3.06Å; E788-S792 WeakPolarHBondContact O-CB 3.49Å; E788-S792 PolarHBondContact O-N 3.02Å; E788-S792 PolarHBondContact O-OG 2.97Å; I789-S792 PolarHBondContact O-N 2.95Å; I789-S792 VanDerWaalsContact O-N 3.17Å; S792-L795 PolarHBondContact O-N 2.99Å; S792-I796 WeakPolarHBondContact O-CG1 3.34Å; S792-I796 PolarHBondContact O-N 3Å
793	V	82	Confident	78	Confident	19 Å²	19	34.5 Å²	34.5	12%	0.115	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-46.6	176.4	171.1	0	0	0	0	110.6	P769 F773 I789 L795 I796 F797	P769-V793 HydrophobicContact CB-CG1 3.84Å; F773-V793 HydrophobicContact CD2-CB 4.17Å; F773-V793 HydrophobicContact CD2-CG1 3.8Å; F773-V793 HydrophobicContact CD2-CG2 4.25Å; F773-V793 HydrophobicContact CE2-CB 4.25Å; F773-V793 HydrophobicContact CE2-CG1 4.14Å; F773-V793 HydrophobicContact CE2-CG2 3.82Å; F773-V793 HydrophobicContact CZ-CG2 4.2Å; I789-V793 HydrophobicContact CG2-CG2 4.1Å; I789-V793 WeakPolarHBondContact O-CB 3.44Å; I789-V793 WeakPolarHBondContact O-CG2 3.26Å; I789-V793 PolarHBondContact O-N 3.35Å; V793-L795 PolarHBondContact O-N 3.3Å; V793-I796 PolarHBondContact O-N 3.31Å; V793-F797 HydrophobicContact CB-CD2 4.43Å; V793-F797 HydrophobicContact CG1-CB 4.44Å; V793-F797 HydrophobicContact CG1-CD2 3.93Å; V793-F797 HydrophobicContact CG1-CG 4.37Å; V793-F797 WeakPolarHBondContact O-CB 3.38Å; V793-F797 PolarHBondContact O-N 3.04Å
794	T	80.6	Confident	79.5	Confident	4 Å²	4	35.2 Å²	35.2	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-44.6	176.9	-68.1	0	0	0	0	112.1	L701 F703 A790 K791 I796 F798	L701-T794 HydrophobicContact CD1-CG2 3.75Å; F703-T794 HydrophobicContact CD2-CG2 4.4Å; F703-T794 HydrophobicContact CE2-CG2 3.58Å; F703-T794 HydrophobicContact CZ-CG2 4.05Å; A790-T794 WeakPolarHBondContact O-CB 3.46Å; A790-T794 PolarHBondContact O-N 2.99Å; A790-T794 PolarHBondContact O-OG1 3.15Å; K791-T794 PolarHBondContact O-N 3.38Å; T794-I796 VanDerWaalsContact C-N 3.28Å; T794-I796 PolarHBondContact O-N 3.17Å; T794-F798 WeakPolarHBondContact O-CB 3.21Å; T794-F798 PolarHBondContact O-N 3.1Å
795	L	85.3	Confident	81.4	Confident	11 Å²	11	32.2 Å²	32.2	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-28.8	179.6	-80.2	170.9	0	0	0	113.9	L519 I524 V528 L588 L699 K791 S792 V793 P799	L519-L795 HydrophobicContact CD2-CD1 3.85Å; L519-L795 HydrophobicContact CD2-CD2 3.72Å; L519-L795 HydrophobicContact CD2-CG 4.44Å; I524-L795 HydrophobicContact CG2-CB 4.35Å; I524-L795 HydrophobicContact CG2-CD1 4.01Å; V528-L795 HydrophobicContact CG2-CB 4.41Å; L588-L795 HydrophobicContact CD1-CD2 4.4Å; L699-L795 HydrophobicContact CD1-CD2 4.34Å; L699-L795 HydrophobicContact CD1-CG 4.29Å; L699-L795 HydrophobicContact CD2-CD2 3.87Å; K791-L795 HydrophobicContact CG-CD1 3.91Å; K791-L795 WeakPolarHBondContact O-CB 3.26Å; K791-L795 WeakPolarHBondContact O-CG 3.5Å; K791-L795 PolarHBondContact O-N 3.3Å; S792-L795 PolarHBondContact O-N 2.99Å; V793-L795 PolarHBondContact O-N 3.3Å; L795-P799 WeakPolarHBondContact O-CG 3.37Å
796	I	87.4	Confident	82.7	Confident	40 Å²	40	29.7 Å²	29.7	21%	0.205	16%	0.163	C	C	.	.	H	α-helix	trans	-99.1	-49.8	-175.1	-62.2	174.3	0	0	0	112	T527 S792 V793 T794 P799 L800	T527-I796 HydrophobicContact CG2-CD1 4.33Å; T527-I796 HydrophobicContact CG2-CG1 4.12Å; T527-I796 HydrophobicContact CG2-CG2 4.04Å; S792-I796 WeakPolarHBondContact O-CG1 3.34Å; S792-I796 PolarHBondContact O-N 3Å; V793-I796 PolarHBondContact O-N 3.31Å; T794-I796 VanDerWaalsContact C-N 3.28Å; T794-I796 PolarHBondContact O-N 3.17Å; I796-P799 WeakPolarHBondContact O-CD 3.45Å; I796-L800 WeakPolarHBondContact O-CB 3.34Å; I796-L800 PolarHBondContact O-N 3.09Å
797	F	87.4	Confident	83.6	Confident	63 Å²	63	30.3 Å²	30.3	28%	0.276	16%	0.163	S	C	.	.	H	α-helix	trans	-80.9	-31.3	-170.7	-75.5	-98.4	0	0	0	114	F766 P769 V770 V793 L800 P801	F766-F797 HydrophobicContact CB-CD1 4.46Å; F766-F797 AromaticContact CD1-CD1 3.93Å; F766-F797 HydrophobicContact CD1-CD1 3.93Å; F766-F797 HydrophobicContact CD1-CE1 4.07Å; P769-F797 HydrophobicContact CB-CD1 4.24Å; P769-F797 HydrophobicContact CB-CG 4.33Å; P769-F797 HydrophobicContact CG-CD1 3.88Å; P769-F797 HydrophobicContact CG-CE1 3.98Å; P769-F797 HydrophobicContact CG-CG 4.46Å; V770-F797 HydrophobicContact CG2-CB 3.77Å; V793-F797 HydrophobicContact CB-CD2 4.43Å; V793-F797 HydrophobicContact CG1-CB 4.44Å; V793-F797 HydrophobicContact CG1-CD2 3.93Å; V793-F797 HydrophobicContact CG1-CG 4.37Å; V793-F797 WeakPolarHBondContact O-CB 3.38Å; V793-F797 PolarHBondContact O-N 3.04Å; F797-L800 PolarHBondContact O-N 2.98Å; F797-P801 WeakPolarHBondContact O-CD 3.14Å
798	F	85.4	Confident	84.2	Confident	40 Å²	40	28.6 Å²	28.6	18%	0.175	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-48.5	177.3	176	-98.8	0	0	0	113.1	T581 Y584 A619 L701 V770 T794 P801	T581-F798 HydrophobicContact CG2-CE1 4.46Å; Y584-F798 HydrophobicContact CD1-CE1 4.13Å; Y584-F798 HydrophobicContact CE1-CD1 4.04Å; Y584-F798 AromaticContact CE1-CE1 3.76Å; Y584-F798 HydrophobicContact CE1-CE1 3.76Å; A619-F798 HydrophobicContact CB-CE1 4.28Å; A619-F798 HydrophobicContact CB-CZ 4.32Å; L701-F798 HydrophobicContact CD2-CE1 4.37Å; L701-F798 HydrophobicContact CD2-CZ 4.2Å; V770-F798 HydrophobicContact CG2-CB 4.48Å; T794-F798 WeakPolarHBondContact O-CB 3.21Å; T794-F798 PolarHBondContact O-N 3.1Å; F798-P801 WeakPolarHBondContact O-CD 3.45Å
799	P	89.3	Confident	84.6	Confident	4 Å²	4	24.3 Å²	24.3	3%	0.026	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-9.5	178.4	34.9	-38.2	0	0	0	114.7	I531 T581 V585 L795 I796 P801 A802 C803	I531-P799 HydrophobicContact CD1-CG 4.43Å; I531-P799 HydrophobicContact CG2-CB 3.78Å; I531-P799 HydrophobicContact CG2-CG 3.95Å; T581-P799 HydrophobicContact CG2-CB 4.16Å; V585-P799 HydrophobicContact CG2-CB 3.52Å; V585-P799 HydrophobicContact CG2-CG 3.99Å; L795-P799 WeakPolarHBondContact O-CG 3.37Å; I796-P799 WeakPolarHBondContact O-CD 3.45Å; P799-P801 VanDerWaalsContact C-CD 3.48Å; P799-A802 WeakPolarHBondContact O-CB 3.14Å; P799-A802 PolarHBondContact O-N 2.81Å; P799-A802 VanDerWaalsContact O-N 3.11Å; P799-C803 PolarHBondContact O-N 3.03Å
800	L	89.8	Confident	84.9	Confident	32 Å²	32	21.5 Å²	21.5	17%	0.168	12%	0.116	C	C	.	.	H	α-helix	trans	-56.2	-40.7	-175.6	-150.1	74.3	0	0	0	114.5	I531 F766 I796 F797 A802 C803 L804	I531-L800 HydrophobicContact CD1-CD1 3.64Å; I531-L800 HydrophobicContact CG1-CD1 4.05Å; F766-L800 HydrophobicContact CD1-CD2 3.68Å; F766-L800 HydrophobicContact CD2-CD2 4.23Å; F766-L800 HydrophobicContact CE1-CD2 3.56Å; F766-L800 HydrophobicContact CE2-CD2 4.14Å; F766-L800 HydrophobicContact CG-CD2 4.03Å; F766-L800 HydrophobicContact CZ-CD2 3.81Å; I796-L800 WeakPolarHBondContact O-CB 3.34Å; I796-L800 PolarHBondContact O-N 3.09Å; F797-L800 PolarHBondContact O-N 2.98Å; L800-A802 VanDerWaalsContact C-N 3.32Å; L800-A802 PolarHBondContact O-N 3.2Å; L800-C803 WeakPolarHBondContact O-CB 3.33Å; L800-C803 PolarHBondContact O-N 3.1Å; L800-L804 HydrophobicContact CD2-CD1 3.97Å; L800-L804 HydrophobicContact CG-CD1 3.88Å; L800-L804 HydrophobicContact CG-CG 4.47Å; L800-L804 PolarHBondContact O-N 3.46Å
801	P	88.7	Confident	85.1	Confident	16 Å²	16	28.1 Å²	28.1	10%	0.104	14%	0.144	C	C	.	.	H	α-helix	trans	-63	-36.9	177.2	-21.3	33.2	0	0	0	112.6	N763 F766 F797 F798 P799 C803 L804 N805	N763-P801 VanDerWaalsContact OD1-CB 3.31Å; N763-P801 WeakPolarHBondContact OD1-CB 3.49Å; F766-P801 HydrophobicContact CB-CG 4.05Å; F766-P801 HydrophobicContact CD2-CG 4.41Å; F797-P801 WeakPolarHBondContact O-CD 3.14Å; F798-P801 WeakPolarHBondContact O-CD 3.45Å; P799-P801 VanDerWaalsContact C-CD 3.48Å; P801-C803 PolarHBondContact O-N 3.49Å; P801-L804 PolarHBondContact O-N 3.12Å; P801-N805 WeakPolarHBondContact O-CB 3.45Å; P801-N805 PolarHBondContact O-N 2.97Å; P801-N805 PolarHBondContact O-ND2 3.21Å; P801-N805 VanDerWaalsContact O-ND2 3.15Å
802	A	88.4	Confident	84.8	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.033	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-26	177.8	0	0	0	0	0	113.2	N539 N578 T581 P799 L800 P806	N539-A802 PolarHBondContact ND2-O 3.47Å; N578-A802 HydrophobicContact CB-CB 3.84Å; T581-A802 HydrophobicContact CG2-CB 3.87Å; P799-A802 WeakPolarHBondContact O-CB 3.14Å; P799-A802 PolarHBondContact O-N 2.81Å; P799-A802 VanDerWaalsContact O-N 3.11Å; L800-A802 VanDerWaalsContact C-N 3.32Å; L800-A802 PolarHBondContact O-N 3.2Å; A802-P806 WeakPolarHBondContact O-CD 3.36Å
803	C	89.6	Confident	84.4	Confident	5 Å²	5	33.1 Å²	33.1	3%	0.034	16%	0.163	C	C	.	.	H	α-helix	trans	-79.3	-47.1	170.9	169.1	0	0	0	0	112.2	I531 V534 P799 L800 P801 P806 V807	I531-C803 HydrophobicContact CG2-CB 4.13Å; V534-C803 WeakPolarHBondContact CG1-SG 3.14Å; P799-C803 PolarHBondContact O-N 3.03Å; L800-C803 WeakPolarHBondContact O-CB 3.33Å; L800-C803 PolarHBondContact O-N 3.1Å; P801-C803 PolarHBondContact O-N 3.49Å; C803-P806 WeakPolarHBondContact O-CD 3.37Å; C803-V807 WeakPolarHBondContact O-CG2 3.46Å
804	L	88.6	Confident	83.6	Confident	57 Å²	57	35 Å²	35	30%	0.298	18%	0.176	S	C	.	.	H	α-helix	trans	-81.1	-31.7	-171.9	-67.3	172.3	0	0	0	114.3	F766 L800 P801 V807 L808	F766-L804 HydrophobicContact CD2-CD1 4.24Å; F766-L804 HydrophobicContact CE2-CD1 3.36Å; F766-L804 HydrophobicContact CZ-CD1 3.68Å; L800-L804 HydrophobicContact CD2-CD1 3.97Å; L800-L804 HydrophobicContact CG-CD1 3.88Å; L800-L804 HydrophobicContact CG-CG 4.47Å; L800-L804 PolarHBondContact O-N 3.46Å; P801-L804 PolarHBondContact O-N 3.12Å; L804-V807 PolarHBondContact O-N 3.43Å; L804-L808 WeakPolarHBondContact O-CB 3.12Å; L804-L808 VanDerWaalsContact O-CG 3.31Å; L804-L808 WeakPolarHBondContact O-CG 3.37Å; L804-L808 PolarHBondContact O-N 2.86Å
805	N	86.9	Confident	82.9	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.011	19%	0.188	C	C	.	.	H	α-helix	trans	-54.1	-52.6	179.9	-74.6	-19.4	0	0	0	114	N578 L759 N763 P801 L808 Y809	N578-N805 WeakPolarHBondContact ND2-CB 3.39Å; L759-N805 HydrophobicContact CD2-CB 4.1Å; L759-N805 WeakPolarHBondContact CD2-OD1 3.46Å; N763-N805 PolarHBondContact ND2-OD1 2.83Å; N763-N805 PolarHBondContact OD1-ND2 2.85Å; P801-N805 WeakPolarHBondContact O-CB 3.45Å; P801-N805 PolarHBondContact O-N 2.97Å; P801-N805 PolarHBondContact O-ND2 3.21Å; P801-N805 VanDerWaalsContact O-ND2 3.15Å; N805-L808 PolarHBondContact O-N 3.26Å; N805-Y809 PolarHBondContact O-N 2.97Å
806	P	86.3	Confident	82.2	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-71.8	-31.2	179	33.2	-40.8	0	0	0	112.4	F538 N539 V542 A802 C803 Y809 V810	F538-P806 HydrophobicContact CB-CB 3.84Å; F538-P806 HydrophobicContact CB-CG 3.71Å; N539-P806 WeakPolarHBondContact OD1-CB 3.49Å; N539-P806 WeakPolarHBondContact OD1-CG 3.3Å; V542-P806 HydrophobicContact CG2-CB 4Å; A802-P806 WeakPolarHBondContact O-CD 3.36Å; C803-P806 WeakPolarHBondContact O-CD 3.37Å; P806-Y809 PolarHBondContact O-N 3.07Å; P806-V810 WeakPolarHBondContact O-CB 3.44Å; P806-V810 WeakPolarHBondContact O-CG2 3.5Å; P806-V810 PolarHBondContact O-N 3.26Å
807	V	86.1	Confident	81.5	Confident	33 Å²	33	43.3 Å²	43.3	20%	0.2	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-46	175.2	173.7	0	0	0	0	110.3	V534 F538 C803 L804 Y809 V810 F811	V534-V807 HydrophobicContact CG1-CG2 3.73Å; F538-V807 HydrophobicContact CB-CG2 4.33Å; F538-V807 HydrophobicContact CD1-CG2 3.82Å; F538-V807 HydrophobicContact CD2-CG2 4.2Å; F538-V807 HydrophobicContact CE1-CG2 4.13Å; F538-V807 HydrophobicContact CE2-CG2 4.47Å; F538-V807 HydrophobicContact CG-CG2 3.86Å; F538-V807 HydrophobicContact CZ-CG2 4.44Å; C803-V807 WeakPolarHBondContact O-CG2 3.46Å; L804-V807 PolarHBondContact O-N 3.43Å; V807-Y809 PolarHBondContact O-N 3.19Å; V807-V810 PolarHBondContact O-N 3.41Å; V807-F811 HydrophobicContact CG1-CD2 3.79Å; V807-F811 HydrophobicContact CG1-CE2 4.04Å; V807-F811 WeakPolarHBondContact O-CD2 3.49Å; V807-F811 PolarHBondContact O-N 3.41Å
808	L	83.1	Confident	80.6	Confident	29 Å²	29	43.9 Å²	43.9	15%	0.152	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-33.3	175	-70.9	167.2	0	0	0	112.4	H755 L759 T762 L804 N805 F812	H755-L808 VanDerWaalsContact CE1-C 3.46Å; H755-L808 PolarHBondContact CE1-O 3.43Å; H755-L808 PolarHBondContact ND1-O 3.05Å; L759-L808 HydrophobicContact CD2-CB 4.37Å; L759-L808 HydrophobicContact CD2-CD1 4.35Å; T762-L808 HydrophobicContact CG2-CD1 3.99Å; L804-L808 WeakPolarHBondContact O-CB 3.12Å; L804-L808 VanDerWaalsContact O-CG 3.31Å; L804-L808 WeakPolarHBondContact O-CG 3.37Å; L804-L808 PolarHBondContact O-N 2.86Å; N805-L808 PolarHBondContact O-N 3.26Å; L808-F812 HydrophobicContact CD2-CD2 4.07Å; L808-F812 HydrophobicContact CD2-CE2 4.07Å; L808-F812 WeakPolarHBondContact O-CB 3.27Å; L808-F812 PolarHBondContact O-N 3.15Å; L808-F812 VanDerWaalsContact O-N 3.16Å
809	Y	81.5	Confident	79.8	Confident	13 Å²	13	42.4 Å²	42.4	5%	0.051	21%	0.208	C	C	.	.	H	α-helix	trans	-72	-48.5	175.2	-176.2	-109.4	0	0	0	111.5	V542 M571 H755 N805 P806 V807 F811 S813 F816	V542-Y809 HydrophobicContact CG1-CD1 3.95Å; V542-Y809 HydrophobicContact CG1-CE1 4.01Å; V542-Y809 HydrophobicContact CG2-CD1 3.78Å; V542-Y809 HydrophobicContact CG2-CE1 4.41Å; M571-Y809 HydrophobicContact CE-CD2 3.74Å; M571-Y809 HydrophobicContact CE-CE2 4.24Å; M571-Y809 HydrophobicContact CE-CG 4.05Å; M571-Y809 HydrophobicContact CG-CE2 4.22Å; H755-Y809 AromaticContact CD2-CD2 3.96Å; H755-Y809 WeakPolarHBondContact CE1-CA 3.48Å; H755-Y809 PolarHBondContact CE1-N 3.06Å; H755-Y809 AromaticContact NE2-CD2 3.53Å; N805-Y809 PolarHBondContact O-N 2.97Å; P806-Y809 PolarHBondContact O-N 3.07Å; V807-Y809 PolarHBondContact O-N 3.19Å; Y809-F811 VanDerWaalsContact C-N 3.35Å; Y809-F811 PolarHBondContact O-N 3.18Å; Y809-S813 VanDerWaalsContact CE2-OG 3.28Å; Y809-S813 WeakPolarHBondContact CE2-OG 3.33Å; Y809-S813 WeakPolarHBondContact O-CB 3.34Å; Y809-S813 PolarHBondContact O-N 2.97Å; Y809-F816 HydrophobicContact CD1-CB 4.2Å; Y809-F816 HydrophobicContact CD1-CD2 4.06Å; Y809-F816 HydrophobicContact CD1-CG 4.38Å; Y809-F816 HydrophobicContact CE1-CB 3.9Å; Y809-F816 AromaticContact CE1-CD2 3.81Å; Y809-F816 HydrophobicContact CE1-CD2 3.81Å; Y809-F816 HydrophobicContact CE1-CG 4.26Å
810	V	81.8	Confident	78.9	Confident	25 Å²	25	46.8 Å²	46.8	15%	0.152	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-41.6	-179.4	166	0	0	0	0	112.5	F538 L541 V542 P806 V807 F816	F538-V810 HydrophobicContact CD1-CB 4.34Å; F538-V810 HydrophobicContact CD1-CG1 4.46Å; F538-V810 HydrophobicContact CD1-CG2 4.1Å; F538-V810 HydrophobicContact CE1-CG1 4.24Å; L541-V810 HydrophobicContact CD2-CG2 4.33Å; V542-V810 HydrophobicContact CG2-CG2 3.95Å; P806-V810 WeakPolarHBondContact O-CB 3.44Å; P806-V810 WeakPolarHBondContact O-CG2 3.5Å; P806-V810 PolarHBondContact O-N 3.26Å; V807-V810 PolarHBondContact O-N 3.41Å; V810-F816 HydrophobicContact CB-CD1 4.25Å; V810-F816 HydrophobicContact CB-CE1 4.13Å; V810-F816 HydrophobicContact CB-CZ 4.47Å; V810-F816 HydrophobicContact CG1-CD1 4.2Å; V810-F816 HydrophobicContact CG1-CE1 3.75Å; V810-F816 HydrophobicContact CG1-CZ 4.28Å; V810-F816 HydrophobicContact CG2-CD1 4.25Å; V810-F816 HydrophobicContact CG2-CD2 4.3Å; V810-F816 HydrophobicContact CG2-CE1 3.92Å; V810-F816 HydrophobicContact CG2-CE2 3.94Å; V810-F816 HydrophobicContact CG2-CG 4.44Å; V810-F816 HydrophobicContact CG2-CZ 3.76Å; V810-F816 WeakPolarHBondContact O-CD1 3.3Å
811	F	79.4	Confident	77.9	Confident	146 Å²	146	50.3 Å²	50.3	64%	0.64	24%	0.243	S	C	*	.	H	α-helix	trans	-88.7	-30.3	-176.8	-74.9	-75.2	0	0	0	115.2	F538 V807 Y809	F538-F811 HydrophobicContact CE1-CE2 4.26Å; V807-F811 HydrophobicContact CG1-CD2 3.79Å; V807-F811 HydrophobicContact CG1-CE2 4.04Å; V807-F811 WeakPolarHBondContact O-CD2 3.49Å; V807-F811 PolarHBondContact O-N 3.41Å; Y809-F811 VanDerWaalsContact C-N 3.35Å; Y809-F811 PolarHBondContact O-N 3.18Å
812	F	73.1	Confident	76.8	Confident	138 Å²	138	56.2 Å²	56.2	61%	0.605	26%	0.263	S	S	*	.	H	α-helix	trans	-115.1	-1.7	-172.8	-58.9	-82.6	0	0	0	115.1	L808 P814	L808-F812 HydrophobicContact CD2-CD2 4.07Å; L808-F812 HydrophobicContact CD2-CE2 4.07Å; L808-F812 WeakPolarHBondContact O-CB 3.27Å; L808-F812 PolarHBondContact O-N 3.15Å; L808-F812 VanDerWaalsContact O-N 3.16Å; F812-P814 WeakPolarHBondContact O-CD 3.38Å
813	S	71.7	Confident	75.7	Confident	12 Å²	12	57.7 Å²	57.7	8%	0.084	27%	0.27	C	S	.	.			trans	-93.5	113	174	-172.1	0	0	0	0	111.2	Y809 A815 F816 R817	Y809-S813 VanDerWaalsContact CE2-OG 3.28Å; Y809-S813 WeakPolarHBondContact CE2-OG 3.33Å; Y809-S813 WeakPolarHBondContact O-CB 3.34Å; Y809-S813 PolarHBondContact O-N 2.97Å; S813-A815 PolarHBondContact O-N 2.99Å; S813-F816 PolarHBondContact O-N 3.13Å; S813-R817 PolarHBondContact O-N 3.17Å
814	P	66.6	Low	74.4	Confident	58 Å²	58	61.2 Å²	61.2	38%	0.377	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-34.5	175.4	24.5	-32.7	0	0	0	111.8	F812 F816 R817 E818	F812-P814 WeakPolarHBondContact O-CD 3.38Å; P814-F816 VanDerWaalsContact C-N 3.31Å; P814-F816 PolarHBondContact O-N 2.97Å; P814-R817 WeakPolarHBondContact O-CB 3.45Å; P814-R817 PolarHBondContact O-N 3.29Å; P814-R817 VanDerWaalsContact O-N 3.14Å; P814-E818 PolarHBondContact O-N 3.32Å; P814-E818 VanDerWaalsContact O-N 3.17Å
815	A	65.2	Low	72.8	Confident	33 Å²	33	60.4 Å²	60.4	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-35.5	177	0	0	0	0	0	113.2	S813 E818 D819	S813-A815 PolarHBondContact O-N 2.99Å; A815-E818 PolarHBondContact O-N 2.9Å; A815-D819 PolarHBondContact O-N 3.2Å
816	F	71.1	Confident	71.2	Confident	11 Å²	11	65 Å²	65	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-66.2	-42.8	174.9	177	-91.3	0	0	0	111.1	L541 T545 Y809 V810 S813 P814 E818 D819 W820	L541-F816 HydrophobicContact CD2-CZ 4.04Å; L541-F816 HydrophobicContact CG-CZ 4.18Å; T545-F816 HydrophobicContact CG2-CE2 3.81Å; T545-F816 HydrophobicContact CG2-CZ 4.31Å; T545-F816 WeakPolarHBondContact OG1-CE2 3.42Å; Y809-F816 HydrophobicContact CD1-CB 4.2Å; Y809-F816 HydrophobicContact CD1-CD2 4.06Å; Y809-F816 HydrophobicContact CD1-CG 4.38Å; Y809-F816 HydrophobicContact CE1-CB 3.9Å; Y809-F816 AromaticContact CE1-CD2 3.81Å; Y809-F816 HydrophobicContact CE1-CD2 3.81Å; Y809-F816 HydrophobicContact CE1-CG 4.26Å; V810-F816 HydrophobicContact CB-CD1 4.25Å; V810-F816 HydrophobicContact CB-CE1 4.13Å; V810-F816 HydrophobicContact CB-CZ 4.47Å; V810-F816 HydrophobicContact CG1-CD1 4.2Å; V810-F816 HydrophobicContact CG1-CE1 3.75Å; V810-F816 HydrophobicContact CG1-CZ 4.28Å; V810-F816 HydrophobicContact CG2-CD1 4.25Å; V810-F816 HydrophobicContact CG2-CD2 4.3Å; V810-F816 HydrophobicContact CG2-CE1 3.92Å; V810-F816 HydrophobicContact CG2-CE2 3.94Å; V810-F816 HydrophobicContact CG2-CG 4.44Å; V810-F816 HydrophobicContact CG2-CZ 3.76Å; V810-F816 WeakPolarHBondContact O-CD1 3.3Å; S813-F816 PolarHBondContact O-N 3.13Å; P814-F816 VanDerWaalsContact C-N 3.31Å; P814-F816 PolarHBondContact O-N 2.97Å; F816-E818 VanDerWaalsContact C-N 3.27Å; F816-E818 PolarHBondContact O-N 2.82Å; F816-D819 PolarHBondContact O-N 3.21Å; F816-W820 HydrophobicContact CE1-CB 4.06Å; F816-W820 HydrophobicContact CE1-CG 4.33Å; F816-W820 HydrophobicContact CZ-CB 4.31Å; F816-W820 HydrophobicContact CZ-CE3 4.35Å; F816-W820 VanDerWaalsContact O-CB 3.26Å; F816-W820 WeakPolarHBondContact O-CB 3.43Å; F816-W820 PolarHBondContact O-N 3.25Å
817	R	71.5	Confident	69.4	Low	185 Å²	185	70.1 Å²	70.1	70%	0.698	34%	0.337	S	S	*	.	H	α-helix	trans	-59.1	-39.9	178.9	-172.7	179	-180	-176	-0.2	111.6	S813 P814 L821	S813-R817 PolarHBondContact O-N 3.17Å; P814-R817 WeakPolarHBondContact O-CB 3.45Å; P814-R817 PolarHBondContact O-N 3.29Å; P814-R817 VanDerWaalsContact O-N 3.14Å; R817-L821 HydrophobicContact CG-CD1 4.2Å; R817-L821 WeakPolarHBondContact O-CB 3.14Å; R817-L821 WeakPolarHBondContact O-CD1 3.1Å; R817-L821 VanDerWaalsContact O-CG 3.23Å; R817-L821 WeakPolarHBondContact O-CG 3.34Å; R817-L821 PolarHBondContact O-N 3.06Å
818	E	68.1	Low	67.6	Low	76 Å²	76	72.5 Å²	72.5	36%	0.355	35%	0.349	S	S	.	.	H	α-helix	trans	-70.1	-46.2	174.8	-74.5	-173.7	-134.5	0	0	113.7	P814 A815 F816 W820 L821 R822	P814-E818 PolarHBondContact O-N 3.32Å; P814-E818 VanDerWaalsContact O-N 3.17Å; A815-E818 PolarHBondContact O-N 2.9Å; F816-E818 VanDerWaalsContact C-N 3.27Å; F816-E818 PolarHBondContact O-N 2.82Å; E818-W820 PolarHBondContact O-N 3.41Å; E818-L821 PolarHBondContact O-N 3.41Å; E818-R822 VanDerWaalsContact O-CG 3.25Å; E818-R822 WeakPolarHBondContact O-CG 3.47Å; E818-R822 PolarHBondContact O-N 3.29Å; E818-R822 IonicContact OE2-CZ 3.94Å; E818-R822 IonicContact OE2-NH2 3.71Å; E818-R822 PolarHBondContact OE2-NH2 3.44Å
819	D	69.1	Low	65.8	Low	8 Å²	8	75.9 Å²	75.9	4%	0.043	37%	0.366	C	S	.	.	H	α-helix	trans	-61.2	-36.4	177.3	-72.9	-37.2	0	0	0	111.2	H551 R568 A815 F816 L823	H551-D819 IonicContact CD2-OD1 2.8Å; H551-D819 IonicContact CE1-OD1 3.2Å; H551-D819 PolarHBondContact CE1-OD1 3.11Å; H551-D819 VanDerWaalsContact CE1-OD1 3.26Å; H551-D819 IonicContact NE2-OD1 2.69Å; H551-D819 PolarHBondContact NE2-OD1 2.84Å; R568-D819 IonicContact CZ-OD1 3.62Å; R568-D819 VanDerWaalsContact CZ-OD1 3.29Å; R568-D819 IonicContact CZ-OD2 2.72Å; R568-D819 IonicContact NE-OD2 2.72Å; R568-D819 VanDerWaalsContact NH1-CG 3.29Å; R568-D819 IonicContact NH1-OD1 2.65Å; R568-D819 PolarHBondContact NH1-OD1 2.94Å; R568-D819 IonicContact NH1-OD2 3.93Å; R568-D819 PolarHBondContact NH1-OD2 3.45Å; R568-D819 IonicContact NH2-OD1 3.11Å; R568-D819 PolarHBondContact NH2-OD1 2.96Å; R568-D819 IonicContact NH2-OD2 3.15Å; R568-D819 PolarHBondContact NH2-OD2 2.75Å; A815-D819 PolarHBondContact O-N 3.2Å; F816-D819 PolarHBondContact O-N 3.21Å; D819-L823 PolarHBondContact O-N 2.78Å
820	W	69.9	Low	64	Low	97 Å²	97	79 Å²	79	37%	0.367	39%	0.387	S	S	.	.	H	α-helix	trans	-66.6	-47.6	174.3	-176.3	-110	0	0	0	112.6	L541 T545 F816 E818 R822 L823 H824	L541-W820 HydrophobicContact CD1-CE3 4.29Å; L541-W820 HydrophobicContact CD1-CH2 3.99Å; L541-W820 HydrophobicContact CD1-CZ3 3.55Å; T545-W820 HydrophobicContact CG2-CE3 3.86Å; T545-W820 HydrophobicContact CG2-CZ3 4.38Å; F816-W820 HydrophobicContact CE1-CB 4.06Å; F816-W820 HydrophobicContact CE1-CG 4.33Å; F816-W820 HydrophobicContact CZ-CB 4.31Å; F816-W820 HydrophobicContact CZ-CE3 4.35Å; F816-W820 VanDerWaalsContact O-CB 3.26Å; F816-W820 WeakPolarHBondContact O-CB 3.43Å; F816-W820 PolarHBondContact O-N 3.25Å; E818-W820 PolarHBondContact O-N 3.41Å; W820-R822 VanDerWaalsContact C-N 3.3Å; W820-R822 PolarHBondContact O-N 3.3Å; W820-L823 HydrophobicContact CE3-CD2 4.2Å; W820-L823 HydrophobicContact CZ3-CD2 3.98Å; W820-L823 WeakPolarHBondContact O-CB 3.27Å; W820-L823 PolarHBondContact O-N 3.26Å; W820-L823 VanDerWaalsContact O-N 3.12Å; W820-H824 PolarHBondContact O-N 3.39Å
821	L	69.3	Low	62	Low	105 Å²	105	84.8 Å²	84.8	55%	0.55	41%	0.412	S	S	.	.	H	α-helix	trans	-61.2	-38.2	176.7	-75.5	166.5	0	0	0	112.2	R817 E818 L823 H824 G825	R817-L821 HydrophobicContact CG-CD1 4.2Å; R817-L821 WeakPolarHBondContact O-CB 3.14Å; R817-L821 WeakPolarHBondContact O-CD1 3.1Å; R817-L821 VanDerWaalsContact O-CG 3.23Å; R817-L821 WeakPolarHBondContact O-CG 3.34Å; R817-L821 PolarHBondContact O-N 3.06Å; E818-L821 PolarHBondContact O-N 3.41Å; L821-L823 VanDerWaalsContact C-N 3.35Å; L821-H824 PolarHBondContact O-N 3.06Å; L821-G825 PolarHBondContact O-N 2.86Å
822	R	65.6	Low	60.2	Low	140 Å²	140	84.6 Å²	84.6	53%	0.528	41%	0.414	S	S	.	.	H	α-helix	trans	-68.4	-32.1	174.9	-66.5	171.8	-157.9	-157.9	9.8	112.5	E818 W820	E818-R822 VanDerWaalsContact O-CG 3.25Å; E818-R822 WeakPolarHBondContact O-CG 3.47Å; E818-R822 PolarHBondContact O-N 3.29Å; E818-R822 IonicContact OE2-CZ 3.94Å; E818-R822 IonicContact OE2-NH2 3.71Å; E818-R822 PolarHBondContact OE2-NH2 3.44Å; W820-R822 VanDerWaalsContact C-N 3.3Å; W820-R822 PolarHBondContact O-N 3.3Å
823	L	64.8	Low	58.8	Low	35 Å²	35	83.2 Å²	83.2	18%	0.183	42%	0.416	C	S	.	.	H	α-helix	trans	-68.6	-45.8	172.9	-158.2	80.6	0	0	0	110.9	T545 S548 D819 W820 L821 H826 M827	T545-L823 HydrophobicContact CG2-CD2 4.38Å; S548-L823 WeakPolarHBondContact OG-CD1 3.41Å; D819-L823 PolarHBondContact O-N 2.78Å; W820-L823 HydrophobicContact CE3-CD2 4.2Å; W820-L823 HydrophobicContact CZ3-CD2 3.98Å; W820-L823 WeakPolarHBondContact O-CB 3.27Å; W820-L823 PolarHBondContact O-N 3.26Å; W820-L823 VanDerWaalsContact O-N 3.12Å; L821-L823 VanDerWaalsContact C-N 3.35Å; L823-H826 PolarHBondContact O-N 3.25Å; L823-M827 PolarHBondContact O-N 2.83Å
824	H	62.8	Low	57.1	Low	80 Å²	80	91.8 Å²	91.8	37%	0.37	45%	0.452	S	S	.	.	H	α-helix	trans	-69	-46.8	-176.1	-141.6	-56.4	0	0	0	112.5	W820 L821 H826 M827 D828	W820-H824 PolarHBondContact O-N 3.39Å; L821-H824 PolarHBondContact O-N 3.06Å; H824-H826 PolarHBondContact O-N 3.24Å; H824-H826 VanDerWaalsContact O-N 3.09Å; H824-M827 WeakPolarHBondContact O-CA 3.22Å; H824-M827 WeakPolarHBondContact O-CB 3.36Å; H824-M827 PolarHBondContact O-N 3.01Å; H824-D828 IonicContact ND1-OD1 3.69Å; H824-D828 IonicContact ND1-OD2 2.75Å; H824-D828 PolarHBondContact O-N 3.14Å
825	G	56.1	Low	55.7	Low	39 Å²	39	93.3 Å²	93.3	40%	0.402	47%	0.469	S	S	.	.	H	α-helix	trans	-62	-20.6	177.5	0	0	0	0	0	113.7	L821 L829	L821-G825 PolarHBondContact O-N 2.86Å; G825-L829 PolarHBondContact O-N 3.15Å
826	H	51.8	Low	54.4	Low	98 Å²	98	94.8 Å²	94.8	45%	0.454	49%	0.488	S	S	.	.	H	α-helix	trans	-85.4	-23.9	172.3	-148.8	-27.6	0	0	0	113.2	L823 H824 T830	L823-H826 PolarHBondContact O-N 3.25Å; H824-H826 PolarHBondContact O-N 3.24Å; H824-H826 VanDerWaalsContact O-N 3.09Å; H826-T830 WeakPolarHBondContact O-CG2 3.33Å; H826-T830 PolarHBondContact O-N 3.45Å; H826-T830 VanDerWaalsContact O-N 3.15Å; H826-T830 PolarHBondContact O-OG1 2.85Å
827	M	49.8	Very low	52.8	Low	112 Å²	112	100 Å²	100	55%	0.552	52%	0.521	S	S	*	.	H	α-helix	trans	-69.1	-45.6	167.5	-71	-175.5	60	0	0	110.8	L823 H824 L829 T830 Q831	L823-M827 PolarHBondContact O-N 2.83Å; H824-M827 WeakPolarHBondContact O-CA 3.22Å; H824-M827 WeakPolarHBondContact O-CB 3.36Å; H824-M827 PolarHBondContact O-N 3.01Å; M827-L829 VanDerWaalsContact C-N 3.35Å; M827-L829 PolarHBondContact O-N 3.31Å; M827-T830 WeakPolarHBondContact CA-OG1 2.95Å; M827-T830 CarbonylContact O-C 3.46Å; M827-T830 PolarHBondContact O-N 2.8Å; M827-T830 VanDerWaalsContact O-N 3.08Å; M827-T830 PolarHBondContact O-OG1 2.9Å; M827-T830 VanDerWaalsContact O-OG1 3.07Å; M827-Q831 PolarHBondContact O-N 3.05Å
828	D	46.4	Very low	50.9	Low	82 Å²	82	100.2 Å²	100.2	44%	0.439	53%	0.53	S	S	.	.	H	α-helix	trans	-60.7	-45.4	178.2	-55.3	-35.7	0	0	0	110.7	H824 T830 Q831 E832	H824-D828 IonicContact ND1-OD1 3.69Å; H824-D828 IonicContact ND1-OD2 2.75Å; H824-D828 PolarHBondContact O-N 3.14Å; D828-T830 VanDerWaalsContact C-N 3.29Å; D828-T830 PolarHBondContact O-N 2.97Å; D828-Q831 WeakPolarHBondContact O-CB 3.48Å; D828-Q831 PolarHBondContact O-N 2.69Å; D828-E832 PolarHBondContact O-N 3.49Å
829	L	46.6	Very low	49.1	Very low	100 Å²	100	102.7 Å²	102.7	52%	0.524	56%	0.556	S	S	.	*	H	α-helix	trans	-62.3	-31.8	174.8	-136.1	78.2	0	0	0	113.7	G825 M827 Q831 V833	G825-L829 PolarHBondContact O-N 3.15Å; M827-L829 VanDerWaalsContact C-N 3.35Å; M827-L829 PolarHBondContact O-N 3.31Å; L829-Q831 VanDerWaalsContact C-N 3.33Å; L829-V833 WeakPolarHBondContact O-CB 3.21Å; L829-V833 VanDerWaalsContact O-CG2 3.26Å; L829-V833 WeakPolarHBondContact O-CG2 3.16Å; L829-V833 PolarHBondContact O-N 2.77Å
830	T	43.5	Very low	47.1	Very low	80 Å²	80	105.6 Å²	105.6	49%	0.491	59%	0.587	S	S	.	*	H	α-helix	trans	-84.5	-8.6	175.7	48.2	0	0	0	0	113.3	H826 M827 D828	H826-T830 WeakPolarHBondContact O-CG2 3.33Å; H826-T830 PolarHBondContact O-N 3.45Å; H826-T830 VanDerWaalsContact O-N 3.15Å; H826-T830 PolarHBondContact O-OG1 2.85Å; M827-T830 WeakPolarHBondContact CA-OG1 2.95Å; M827-T830 CarbonylContact O-C 3.46Å; M827-T830 PolarHBondContact O-N 2.8Å; M827-T830 VanDerWaalsContact O-N 3.08Å; M827-T830 PolarHBondContact O-OG1 2.9Å; M827-T830 VanDerWaalsContact O-OG1 3.07Å; D828-T830 VanDerWaalsContact C-N 3.29Å; D828-T830 PolarHBondContact O-N 2.97Å
831	Q	40.7	Very low	45	Very low	145 Å²	145	106.8 Å²	106.8	68%	0.678	61%	0.609	S	S	*	*	H	α-helix	trans	-87	-41	169.3	-168	160.7	-23.9	0	0	111.3	M827 D828 L829 K834 A835	M827-Q831 PolarHBondContact O-N 3.05Å; D828-Q831 WeakPolarHBondContact O-CB 3.48Å; D828-Q831 PolarHBondContact O-N 2.69Å; L829-Q831 VanDerWaalsContact C-N 3.33Å; Q831-K834 PolarHBondContact O-N 3.43Å; Q831-A835 PolarHBondContact O-N 3.47Å
832	E	41.1	Very low	43	Very low	143 Å²	143	108.8 Å²	108.8	67%	0.668	62%	0.62	S	S	*	*	H	α-helix	trans	-62.3	-47.2	171.7	-70.4	-168.4	137.4	0	0	112.5	D828 K834 A835	D828-E832 PolarHBondContact O-N 3.49Å; E832-K834 PolarHBondContact O-N 3.13Å; E832-A835 PolarHBondContact O-N 2.66Å
833	V	42.9	Very low	41.1	Very low	109 Å²	109	110.4 Å²	110.4	66%	0.661	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-19.1	176.8	170.2	0	0	0	0	112.4	L829	L829-V833 WeakPolarHBondContact O-CB 3.21Å; L829-V833 VanDerWaalsContact O-CG2 3.26Å; L829-V833 WeakPolarHBondContact O-CG2 3.16Å; L829-V833 PolarHBondContact O-N 2.77Å
834	K	36.1	Very low	39.4	Very low	191 Å²	191	112.4 Å²	112.4	83%	0.83	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-8.6	175.8	-122.5	179.8	179.8	-176.5	0	114.9	Q831 E832	Q831-K834 PolarHBondContact O-N 3.43Å; E832-K834 PolarHBondContact O-N 3.13Å
835	A	37	Very low	37.7	Very low	90 Å²	90	112.6 Å²	112.6	74%	0.744	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-13.7	176.4	0	0	0	0	0	113.3	Q831 E832	Q831-A835 PolarHBondContact O-N 3.47Å; E832-A835 PolarHBondContact O-N 2.66Å
836	G	38.4	Very low	36.4	Very low	64 Å²	64	114.8 Å²	114.8	66%	0.66	72%	0.715	S	S	*	*	S	Bend	trans	-100.9	14	-170.2	0	0	0	0	0	117
837	T	36.4	Very low	35.2	Very low	121 Å²	121	113.8 Å²	113.8	74%	0.742	73%	0.731	S	S	*	*	S	Bend	trans	-149.7	60	-174.7	-39.5	0	0	0	0	114.7
838	E	32.3	Very low	34.2	Very low	189 Å²	189	113.4 Å²	113.4	88%	0.883	74%	0.739	S	S	*	*			trans	-157.6	156.5	152.7	-126.8	165.6	-144.7	0	0	112.9
839	S	30.2	Very low	33.2	Very low	129 Å²	129	118 Å²	118	90%	0.902	76%	0.758	S	S	*	*			trans	69.1	127.3	-175	76.2	0	0	0	0	118
840	G	27.6	Very low	32.4	Very low	68 Å²	68	120.3 Å²	120.3	70%	0.701	77%	0.77	S	S	*	*			trans	-146.7	166	158.6	0	0	0	0	0	108.2
841	C	25.5	Very low	31.6	Very low	122 Å²	122	121.5 Å²	121.5	82%	0.824	78%	0.777	S	S	*	*			trans	84.3	123.4	-178.8	-54.8	0	0	0	0	117.8
842	D	26.6	Very low	30.9	Very low	147 Å²	147	121.2 Å²	121.2	79%	0.786	78%	0.78	S	S	*	*			trans	87.8	118.6	140	-53.6	-12.8	0	0	0	122.9
843	D	27.4	Very low	30.3	Very low	174 Å²	174	123 Å²	123	93%	0.93	79%	0.789	S	S	*	*			trans	55.9	146.1	149.5	-75.6	-19.5	0	0	0	123.2
844	G	27.7	Very low	29.6	Very low	78 Å²	78	121.5 Å²	121.5	80%	0.804	80%	0.795	S	S	*	*			trans	135.3	64.3	158	0	0	0	0	0	117.1
845	G	27.8	Very low	29.2	Very low	84 Å²	84	117.1 Å²	117.1	87%	0.866	79%	0.789	S	S	*	*			trans	-57.2	148.2	-171.8	0	0	0	0	0	119.6
846	G	27.7	Very low	28.6	Very low	85 Å²	85	121.4 Å²	121.4	88%	0.876	79%	0.791	S	S	*	*				105.9	143	128.5	0	0	0	0	0	119.7
847	G	28.2	Very low	28.1	Very low	76 Å²	76	122.4 Å²	122.4	78%	0.784	79%	0.788	S	S	*	*			trans	123.5	112.2	149.1	0	0	0	0	0	117.9
848	S	27.6	Very low	27.6	Very low	104 Å²	104	124.3 Å²	124.3	73%	0.727	79%	0.788	S	S	*	*			trans	55.6	118.1	160.1	-135.8	0	0	0	0	117.8
849	E	26.6	Very low	27.4	Very low	179 Å²	179	122 Å²	122	84%	0.836	78%	0.781	S	S	*	*				56.5	114	54.6	-60.9	-167.2	122.9	0	0	115.2
850	L	29	Very low	27.1	Very low	148 Å²	148	118.8 Å²	118.8	78%	0.775	77%	0.768	S	S	*	*				159.3	101.1	128.7	-80.9	166.7	0	0	0	107.9
851	T	27.1	Very low	27	Very low	105 Å²	105	125.1 Å²	125.1	64%	0.644	78%	0.777	S	S	*	*				65.1	137.1	87.9	63.5	0	0	0	0	114.4
852	D	26.7	Very low	27.2	Very low	139 Å²	139	126.5 Å²	126.5	74%	0.743	78%	0.776	S	S	*	*			cis	-160	172.1	1.2	-123.2	-30.2	0	0	0	115.8
853	E	27.1	Very low	27.1	Very low	180 Å²	180	125.4 Å²	125.4	84%	0.841	78%	0.778	S	S	*	*			trans	18.8	132.8	159.6	-61	-155.2	121.8	0	0	124.4
854	G	29.5	Very low	27.2	Very low	78 Å²	78	119.8 Å²	119.8	80%	0.804	76%	0.762	S	S	*	*				112.5	141.3	119.3	0	0	0	0	0	118.5
855	S	26.6	Very low	27.3	Very low	99 Å²	99	122.4 Å²	122.4	69%	0.692	76%	0.762	S	S	*	*			cis	-163.8	172.4	-10.9	-167.3	0	0	0	0	111
856	F	25.8	Very low	27.1	Very low	181 Å²	181	128.4 Å²	128.4	79%	0.794	76%	0.76	S	S	*	*			trans	65.4	107.8	179.5	-63.5	-81.8	0	0	0	116.2
857	S	26.2	Very low	27.1	Very low	84 Å²	84	130.2 Å²	130.2	59%	0.587	76%	0.759	S	S	*	*			cis	72.6	142.3	16.9	114.3	0	0	0	0	114.8
858	H	27.2	Very low	27.1	Very low	161 Å²	161	135.6 Å²	135.6	75%	0.745	76%	0.764	S	S	*	*			cis	-167.2	165	2.1	-127.4	-27.7	0	0	0	112.3
859	L	26.8	Very low	27.1	Very low	142 Å²	142	138.5 Å²	138.5	74%	0.743	77%	0.77	S	S	*	*			trans	63.3	151	150.8	-65.9	160	0	0	0	119.5
860	G	24.2	Very low	27	Very low	61 Å²	61	136.3 Å²	136.3	63%	0.629	77%	0.773	S	S	*	*			cis	163.5	-174.6	-7.9	0	0	0	0	0	114.6
861	F	26.8	Very low	26.7	Very low	200 Å²	200	133 Å²	133	88%	0.877	78%	0.775	S	S	*	*			trans	82.5	125.9	170.7	-71.6	-81.1	0	0	0	120.9
862	D	29.7	Very low	26.7	Very low	151 Å²	151	136.7 Å²	136.7	81%	0.807	79%	0.785	S	S	*	*			trans	-112.5	150.3	162.9	169.8	34.2	0	0	0	107.7
863	C	23.6	Very low	26.7	Very low	124 Å²	124	136.2 Å²	136.2	84%	0.838	79%	0.787	S	S	*	*			trans	-166.5	129.5	166.4	-155.9	0	0	0	0	111.2
864	G	30.2	Very low	26.6	Very low	56 Å²	56	134.8 Å²	134.8	58%	0.577	79%	0.791	S	S	*	*			trans	-106.1	-160.8	173.8	0	0	0	0	0	114.2
865	V	28.1	Very low	26.3	Very low	133 Å²	133	135.7 Å²	135.7	81%	0.806	78%	0.783	S	S	*	*			trans	82.6	148.6	174.9	-162.9	0	0	0	0	115.4
866	Y	25.3	Very low	26.3	Very low	210 Å²	210	138.2 Å²	138.2	82%	0.824	78%	0.784	S	S	*	*			trans	75.2	92.4	178.9	-69.4	-75.7	0	0	0	119.5
867	S	27.9	Very low	26.3	Very low	124 Å²	124	138.7 Å²	138.7	87%	0.867	79%	0.789	S	S	*	*			trans	-152.6	51.3	146.6	76.1	0	0	0	0	113.7
868	Q	26.6	Very low	26.3	Very low	188 Å²	188	140.7 Å²	140.7	88%	0.879	80%	0.802	S	S	*	*			trans	-127.6	108.3	158.8	-88.4	-162.6	-5.1	0	0	109.8
869	L	28	Very low	26.2	Very low	165 Å²	165	140.8 Å²	140.8	86%	0.864	80%	0.803	S	S	*	*			trans	-160.6	123.4	165.9	-110.6	162.4	0	0	0	107.8
870	C	24.3	Very low	26.1	Very low	134 Å²	134	137.8 Å²	137.8	91%	0.905	80%	0.798	S	S	*	*			trans	-89.7	147.7	171.4	-64.9	0	0	0	0	109.9
871	G	23.7	Very low	26.3	Very low	79 Å²	79	141.5 Å²	141.5	81%	0.814	81%	0.808	S	S	*	*			trans	-173.7	123.4	171.8	0	0	0	0	0	111.1
872	E	26.5	Very low	26.5	Very low	181 Å²	181	138.6 Å²	138.6	85%	0.846	80%	0.801	S	S	*	*			trans	-94.7	171.9	179.8	-62.8	-176.9	115.5	0	0	111.9
873	T	26.4	Very low	26.3	Very low	129 Å²	129	143.1 Å²	143.1	79%	0.791	81%	0.807	S	S	*	*			trans	71	115.8	162.3	69.8	0	0	0	0	118.3
874	V	25.1	Very low	26.4	Very low	151 Å²	151	141.8 Å²	141.8	92%	0.915	81%	0.805	S	S	*	*				-129.9	144.4	100.4	175.4	0	0	0	0	107.1
875	C	23.6	Very low	26.1	Very low	96 Å²	96	150.2 Å²	150.2	65%	0.649	82%	0.819	S	S	*	*			trans	-113.5	161	-177.6	-155.2	0	0	0	0	112
876	E	27.2	Very low	26	Very low	153 Å²	153	149.7 Å²	149.7	72%	0.715	82%	0.816	S	S	*	*			trans	30.8	122.7	157.9	-80.5	172	-133	0	0	120.7
877	Q	25.9	Very low	25.8	Very low	190 Å²	190	145.7 Å²	145.7	89%	0.888	82%	0.818	S	S	*	*	S	Bend		-134.2	145.6	122.6	-104.3	171.5	12.8	0	0	110.1
878	C	25.4	Very low	25.8	Very low	127 Å²	127	145.2 Å²	145.2	86%	0.858	82%	0.815	S	S	*	*			trans	70.2	53.5	174.4	-61.5	0	0	0	0	118.4
879	E	25.1	Very low	25.7	Very low	163 Å²	163	141.4 Å²	141.4	76%	0.762	81%	0.808	S	S	*	*			trans	-69.2	176.6	131.2	-146.6	-156.1	178.7	0	0	109.8
880	A	24.9	Very low	26	Very low	79 Å²	79	139.6 Å²	139.6	65%	0.653	81%	0.807	S	S	*	*			trans	70.5	51.3	165.4	0	0	0	0	0	119.1
881	V	28.3	Very low	26.1	Very low	139 Å²	139	138.5 Å²	138.5	84%	0.842	80%	0.8	S	S	*	*			trans	-102.4	81.5	136	-176.6	0	0	0	0	109.8
882	L	30.5	Very low	26.3	Very low	139 Å²	139	139.2 Å²	139.2	73%	0.728	80%	0.799	S	S	*	*				43.8	83.6	123.3	-61.3	162.4	0	0	0	115.8
883	R	26.2	Very low	26.3	Very low	246 Å²	246	136.8 Å²	136.8	93%	0.928	80%	0.802	S	S	*	*				43.8	98.4	94.7	-69.1	-175.4	172	148.6	2	115.3
884	A	25.5	Very low	26.3	Very low	95 Å²	95	135.8 Å²	135.8	79%	0.785	80%	0.8	S	S	*	*			trans	-145.5	109.8	158.4	0	0	0	0	0	113.3
885	R	24.2	Very low	26.4	Very low	233 Å²	233	134.8 Å²	134.8	88%	0.879	79%	0.794	S	S	*	*			trans	47.8	99.5	149.3	-69.7	179.5	171	157.1	-2.1	121.5
886	T	24.8	Very low	26.4	Very low	122 Å²	122	135 Å²	135	75%	0.748	80%	0.795	S	S	*	*				35.3	138.4	110.1	59.5	0	0	0	0	122
887	C	22.7	Very low	26.2	Very low	127 Å²	127	138.3 Å²	138.3	86%	0.858	80%	0.801	S	S	*	*			trans	77.1	141.7	163.7	-60.9	0	0	0	0	116.3
888	S	25.9	Very low	26.1	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	80%	0.796	S	S	*	*			cis	-160.5	168.1	-5.6	42.3	0	0	0	0	111.9
889	S	25.9	Very low	26.2	Very low	107 Å²	107	138.4 Å²	138.4	75%	0.748	79%	0.793	S	S	*	*			trans	-56.3	159.5	170.9	-125	0	0	0	0	112.8
890	P	33.7	Very low	26.2	Very low	128 Å²	128	136 Å²	136	83%	0.831	79%	0.789	S	S	*	*				-126.8	171.2	50.9	29.1	-9.5	0	0	0	117.1
891	S	27.1	Very low	26.2	Very low	110 Å²	110	141.2 Å²	141.2	77%	0.769	80%	0.797	S	S	*	*			trans	-86.6	132.9	-169.9	53	0	0	0	0	115.9
892	A	26.8	Very low	26	Very low	95 Å²	95	138.4 Å²	138.4	79%	0.785	78%	0.783	S	S	*	*				171.4	133.6	121.4	0	0	0	0	0	110	S894	A892-S894 PolarHBondContact O-N 3.06Å
893	S	27.5	Very low	25.9	Very low	129 Å²	129	140.3 Å²	140.3	90%	0.902	79%	0.788	S	S	*	*			trans	-79	112.2	-162.4	50.8	0	0	0	0	115.2
894	S	26.3	Very low	25.8	Very low	109 Å²	109	134 Å²	134	76%	0.762	78%	0.782	S	S	*	*			trans	-166.3	153.6	174.4	94.5	0	0	0	0	110	A892	A892-S894 PolarHBondContact O-N 3.06Å
895	V	27.3	Very low	25.6	Very low	129 Å²	129	134.9 Å²	134.9	78%	0.782	78%	0.781	S	S	*	*			cis	-167.1	168.2	-19.6	96.5	0	0	0	0	110.4
896	C	22.6	Very low	26.4	Very low	101 Å²	101	128.8 Å²	128.8	68%	0.682	77%	0.772	S	S	*	*			trans	81.3	152	156.8	-105	0	0	0	0	123.6
897	R	23	Very low	26.5	Very low	222 Å²	222	128.2 Å²	128.2	84%	0.838	77%	0.768	S	S	*	*			trans	76.5	99.9	141.4	-73.4	167.6	-174.1	-169.9	-0.2	123.7
898	H	25.3	Very low	26.7	Very low	167 Å²	167	129.2 Å²	129.2	77%	0.773	76%	0.764	S	S	*	*				38.1	129.1	108	-82.7	-64.1	0	0	0	123.8
899	L	26.5	Very low	26.9	Very low	152 Å²	152	131.1 Å²	131.1	80%	0.796	77%	0.765	S	S	*	*			trans	74.5	151.1	137.6	-59.7	167.7	0	0	0	117.6
900	V	25.8	Very low	27	Very low	112 Å²	112	130.1 Å²	130.1	68%	0.679	76%	0.763	S	S	*	*			cis	-159.4	163	10.8	85.3	0	0	0	0	113.5
901	K	23.9	Very low	26.8	Very low	189 Å²	189	127.5 Å²	127.5	82%	0.822	76%	0.759	S	S	*	*			trans	70	156.6	160.8	-80.2	177.4	-175.5	177.5	0	118.5
902	S	24.8	Very low	26.9	Very low	80 Å²	80	127.2 Å²	127.2	56%	0.559	76%	0.764	S	S	*	*			cis	-173.3	166.1	-6.3	43.3	0	0	0	0	114.3
903	H	27.3	Very low	27	Very low	179 Å²	179	126.8 Å²	126.8	83%	0.829	76%	0.76	S	S	*	*			trans	78	146.1	157.5	-61.1	-55	0	0	0	118.8
904	S	25	Very low	27	Very low	113 Å²	113	128.7 Å²	128.7	79%	0.79	76%	0.758	S	S	*	*			cis	-158.5	166.3	-7.9	38.8	0	0	0	0	114.6
905	C	21.1	Very low	26.8	Very low	114 Å²	114	129 Å²	129	77%	0.77	76%	0.759	S	S	*	*			trans	-75.3	177.4	-177.4	-143.4	0	0	0	0	113.8
906	P	40.3	Very low	27.6	Very low	106 Å²	106	128.5 Å²	128.5	69%	0.688	76%	0.759	S	S	*	*				-142.1	-166.6	71	40.6	-20.7	0	0	0	112.8
907	T	27.1	Very low	27.8	Very low	109 Å²	109	133.6 Å²	133.6	67%	0.669	76%	0.764	S	S	*	*			cis	-160.9	146.5	5.1	-8.6	0	0	0	0	109.7
908	L	28.1	Very low	27.9	Very low	148 Å²	148	127.6 Å²	127.6	78%	0.775	76%	0.755	S	S	*	*			trans	50.6	140.4	150.1	-56.5	171.3	0	0	0	120.1
909	L	29.1	Very low	28	Very low	155 Å²	155	126.9 Å²	126.9	81%	0.812	75%	0.752	S	S	*	*			cis	-161.6	162	2.3	-105.5	159.4	0	0	0	106.1
910	A	29.2	Very low	28	Very low	85 Å²	85	122.9 Å²	122.9	70%	0.702	75%	0.748	S	S	*	*			cis	-139.6	-166.9	-0.6	0	0	0	0	0	107.8
911	G	28.7	Very low	28.2	Very low	73 Å²	73	126.4 Å²	126.4	75%	0.753	76%	0.755	S	S	*	*			cis	95.3	123.4	9.8	0	0	0	0	0	112.4
912	A	29.1	Very low	28.5	Very low	105 Å²	105	126.9 Å²	126.9	87%	0.868	75%	0.751	S	S	*	*			cis	-157	-167	-2.6	0	0	0	0	0	108.5
913	A	29.1	Very low	28.7	Very low	86 Å²	86	127 Å²	127	71%	0.711	76%	0.757	S	S	*	*			cis	-164.1	179.9	11.5	0	0	0	0	0	112.6
914	I	27.2	Very low	28.8	Very low	168 Å²	168	124.7 Å²	124.7	86%	0.862	75%	0.751	S	S	*	*			trans	81.1	144.4	160.9	-60.7	173	0	0	0	118.2
915	C	22.6	Very low	29	Very low	116 Å²	116	124.9 Å²	124.9	78%	0.784	75%	0.752	S	S	*	*			trans	-129.6	-170.3	-160.2	-68	0	0	0	0	110.5
916	P	43.7	Very low	29.2	Very low	119 Å²	119	123 Å²	123	77%	0.773	75%	0.752	S	S	*	*			cis	-119.7	173.6	3.5	19.9	7.1	0	0	0	114.7
917	R	26.7	Very low	28.5	Very low	208 Å²	208	124.5 Å²	124.5	79%	0.785	76%	0.76	S	S	*	*			cis	75.8	146.5	49.2	-119.6	-164.3	166.4	132.8	-2.6	113.7	E919	R917-E919 IonicContact CZ-OE1 3.91Å; R917-E919 IonicContact NE-OE1 3.91Å; R917-E919 PolarHBondContact NE-OE1 3.15Å; R917-E919 IonicContact NH2-OE1 3.14Å; R917-E919 PolarHBondContact NH2-OE1 3.21Å
918	S	26.5	Very low	29.4	Very low	95 Å²	95	124.4 Å²	124.4	66%	0.664	76%	0.761	S	S	*	*			cis	-164.3	142.8	14.8	55.8	0	0	0	0	116.8
919	E	26.1	Very low	29.4	Very low	152 Å²	152	122.9 Å²	122.9	71%	0.71	76%	0.763	S	S	*	*				54.9	143.3	127.9	-61.8	166.6	-131.6	0	0	125.9	R917	R917-E919 IonicContact CZ-OE1 3.91Å; R917-E919 IonicContact NE-OE1 3.91Å; R917-E919 PolarHBondContact NE-OE1 3.15Å; R917-E919 IonicContact NH2-OE1 3.14Å; R917-E919 PolarHBondContact NH2-OE1 3.21Å
920	G	26.1	Very low	29.3	Very low	69 Å²	69	119.7 Å²	119.7	71%	0.711	76%	0.759	S	S	*	*			trans	126.8	88.9	159.2	0	0	0	0	0	116.2
921	F	30.6	Very low	29.2	Very low	185 Å²	185	124.2 Å²	124.2	81%	0.811	77%	0.765	S	S	*	*				67.2	132	78.9	-85	-113.1	0	0	0	117.1
922	W	30.4	Very low	29.1	Very low	199 Å²	199	125.2 Å²	125.2	75%	0.754	76%	0.761	S	S	*	*			cis	-171.5	173.8	-13	-132.2	64.4	0	0	0	110
923	A	29.2	Very low	29.1	Very low	82 Å²	82	127 Å²	127	68%	0.678	75%	0.751	S	S	*	*			trans	69.4	146.5	159	0	0	0	0	0	120.4
924	D	29.5	Very low	29.1	Very low	132 Å²	132	132.5 Å²	132.5	71%	0.706	76%	0.755	S	S	*	*			cis	-164	161	-21.8	-133.7	-39.4	0	0	0	114.5
925	S	27.7	Very low	29.2	Very low	116 Å²	116	127.8 Å²	127.8	81%	0.811	74%	0.741	S	S	*	*			trans	62.3	146.6	155.8	75.8	0	0	0	0	122.9
926	G	26.1	Very low	29.5	Very low	75 Å²	75	128.6 Å²	128.6	77%	0.773	74%	0.738	S	S	*	*			trans	140.3	118.4	157.2	0	0	0	0	0	117.5
927	T	25.2	Very low	28.9	Very low	137 Å²	137	132 Å²	132	84%	0.84	74%	0.743	S	S	*	*			trans	-136.1	179.7	168.7	64.6	0	0	0	0	108.7
928	P	47	Very low	29	Very low	108 Å²	108	125.2 Å²	125.2	70%	0.701	74%	0.738	S	S	*	*			cis	-132.7	-174.3	-17.5	33.4	-13.2	0	0	0	114.7
929	S	28.6	Very low	29	Very low	115 Å²	115	128.4 Å²	128.4	80%	0.804	75%	0.748	S	S	*	*			trans	88.5	159.6	144	80.6	0	0	0	0	122.8
930	A	26.8	Very low	29.1	Very low	88 Å²	88	126.3 Å²	126.3	73%	0.727	75%	0.75	S	S	*	*			trans	81.4	119.8	161	0	0	0	0	0	121.9
931	Q	26.6	Very low	29	Very low	180 Å²	180	131.8 Å²	131.8	84%	0.841	75%	0.754	S	S	*	*			trans	34.2	136.5	137	-66.9	179.2	-85.6	0	0	124.6
932	S	26.9	Very low	28.8	Very low	95 Å²	95	128 Å²	128	66%	0.664	75%	0.746	S	S	*	*			trans	68.1	164.4	138.8	92.6	0	0	0	0	118.9
933	E	27.7	Very low	28.5	Very low	142 Å²	142	123.3 Å²	123.3	66%	0.664	74%	0.744	S	S	*	*			cis	-164.1	165.2	-0.5	-136.9	156	148.2	0	0	111.5
934	Y	29.8	Very low	28.3	Very low	201 Å²	201	126.8 Å²	126.8	79%	0.788	75%	0.751	S	S	*	*			trans	59.6	166.9	164.1	-75	-74.7	0	0	0	117.4
935	A	29.2	Very low	28.2	Very low	70 Å²	70	125.1 Å²	125.1	58%	0.579	75%	0.75	S	S	*	*			cis	-150.9	155.6	9.5	0	0	0	0	0	113.8
936	D	29.7	Very low	28.2	Very low	132 Å²	132	125.2 Å²	125.2	71%	0.706	75%	0.75	S	S	*	*			trans	61.2	151.6	134.3	-50.7	-9.1	0	0	0	122.4
937	E	30.4	Very low	28.2	Very low	191 Å²	191	128.5 Å²	128.5	89%	0.893	75%	0.75	S	S	*	*			cis	-165.2	171.4	-24.3	-111.2	-163.5	161	0	0	109.1
938	G	28.9	Very low	28.1	Very low	65 Å²	65	130.8 Å²	130.8	67%	0.67	75%	0.751	S	S	*	*			trans	129.2	101.3	153.3	0	0	0	0	0	118.9
939	D	27.1	Very low	27	Very low	163 Å²	163	132.3 Å²	132.3	87%	0.872	76%	0.758	S	S	*	*			trans	23.1	128.9	140.7	-54.7	-19.2	0	0	0	119.3
940	S	26.6	Very low	26.9	Very low	107 Å²	107	135.5 Å²	135.5	75%	0.748	76%	0.76	S	S	*	*			cis	179.2	-176.1	14.7	58.7	0	0	0	0	107.7
941	F	24.1	Very low	26.8	Very low	185 Å²	185	135.6 Å²	135.6	81%	0.811	76%	0.761	S	S	*	*			cis	-159.2	-175.3	2.7	-149.9	-141.1	0	0	0	112.7
942	V	26.9	Very low	26.5	Very low	105 Å²	105	133.5 Å²	133.5	64%	0.636	77%	0.765	S	S	*	*			trans	-29.1	143.3	161.4	171.6	0	0	0	0	116.8
943	S	25.2	Very low	26.4	Very low	101 Å²	101	132.7 Å²	132.7	71%	0.706	77%	0.771	S	S	*	*			cis	-177.3	159.3	-13.9	58.5	0	0	0	0	110.4
944	D	24.4	Very low	26.2	Very low	154 Å²	154	137.4 Å²	137.4	82%	0.824	78%	0.783	S	S	*	*			trans	-152.4	153.8	148.5	-143.5	-16.8	0	0	0	114.4
945	S	27.2	Very low	25.9	Very low	98 Å²	98	132.4 Å²	132.4	69%	0.685	78%	0.783	S	S	*	*			trans	31.9	103.5	164.5	70.7	0	0	0	0	122.3
946	S	27.4	Very low	25.6	Very low	117 Å²	117	134.9 Å²	134.9	82%	0.818	80%	0.795	S	S	*	*				61.5	128.5	123.4	-160.7	0	0	0	0	122.9
947	D	25.5	Very low	25.3	Very low	145 Å²	145	137.3 Å²	137.3	78%	0.775	80%	0.799	S	S	*	*			trans	-42.9	151.8	164.1	-45.3	-58.2	0	0	0	114.2
948	Q	24.8	Very low	25	Very low	185 Å²	185	133 Å²	133	86%	0.864	79%	0.789	S	S	*	*				-164.7	153.2	52.4	-68.9	-179.7	-2.3	0	0	113
949	V	24.2	Very low	24.8	Very low	139 Å²	139	137.8 Å²	137.8	84%	0.842	79%	0.794	S	S	*	*			trans	-170.9	154.6	137	136.6	0	0	0	0	111.5
950	Q	24.9	Very low	24.8	Very low	183 Å²	183	135.1 Å²	135.1	86%	0.855	79%	0.788	S	S	*	*			trans	-50	164.4	-177.2	-45.8	162.1	-31.9	0	0	115
951	A	25.5	Very low	24.8	Very low	89 Å²	89	141.7 Å²	141.7	74%	0.736	80%	0.796	S	S	*	*			cis	-169.8	165	22	0	0	0	0	0	115
952	C	20.9	Very low	24.9	Very low	137 Å²	137	136.8 Å²	136.8	93%	0.926	80%	0.798	S	S	*	*			trans	69.4	130.8	142.8	-152.8	0	0	0	0	122.4
953	G	23.3	Very low	24.8	Very low	77 Å²	77	139.6 Å²	139.6	79%	0.794	81%	0.809	S	S	*	*			trans	172.5	67.1	173	0	0	0	0	0	120.1
954	R	23.9	Very low	25.4	Very low	242 Å²	242	140.1 Å²	140.1	91%	0.913	81%	0.81	S	S	*	*			trans	-10.4	118.6	171.2	-65.2	178	172.9	-171.6	-2.7	121.9
955	A	23.6	Very low	25.6	Very low	96 Å²	96	139.2 Å²	139.2	79%	0.793	80%	0.804	S	S	*	*				37.9	130.5	127.5	0	0	0	0	0	124.1
956	C	22.6	Very low	25.5	Very low	121 Å²	121	140.8 Å²	140.8	82%	0.818	81%	0.809	S	S	*	*				-172.4	136.1	113.8	-116.3	0	0	0	0	117.4
957	F	23.3	Very low	25.5	Very low	184 Å²	184	143.4 Å²	143.4	81%	0.807	81%	0.808	S	S	*	*			trans	45.3	114.5	145	-94.1	-107	0	0	0	125.3
958	C	25.1	Very low	25.5	Very low	101 Å²	101	146.1 Å²	146.1	68%	0.682	81%	0.809	S	S	*	*				64.6	155.3	127.4	-70.3	0	0	0	0	122.1
959	Q	24.3	Very low	25.7	Very low	165 Å²	165	142 Å²	142	77%	0.771	80%	0.801	S	S	*	*			cis	-154.8	176.1	6.5	-138.2	177.1	4	0	0	114.2
960	S	26.5	Very low	25.8	Very low	106 Å²	106	145.2 Å²	145.2	74%	0.741	80%	0.799	S	S	*	*			trans	85.3	108.4	176.4	74.4	0	0	0	0	115.5
961	R	27	Very low	25.9	Very low	245 Å²	245	144 Å²	144	93%	0.925	80%	0.798	S	S	*	*				81.3	112.9	63.2	-77.1	-178	174.9	178.2	-1	112.4
962	G	26	Very low	26.2	Very low	82 Å²	82	147.4 Å²	147.4	85%	0.845	80%	0.803	S	S	*	*			cis	-173.7	162	-1.9	0	0	0	0	0	116.2
963	L	25.6	Very low	27.3	Very low	164 Å²	164	146.1 Å²	146.1	86%	0.859	79%	0.793	S	S	*	*			trans	-72	166.6	172.9	-92.2	157.8	0	0	0	112.1
964	P	37.6	Very low	27.6	Very low	112 Å²	112	154.4 Å²	154.4	73%	0.727	80%	0.8	S	S	*	*				-143.9	-178.3	53.7	29.1	-3.1	0	0	0	115.5
965	L	27.8	Very low	27.9	Very low	136 Å²	136	149.5 Å²	149.5	71%	0.712	80%	0.797	S	S	*	*			cis	-158.6	154.2	-6.4	-122.4	163.3	0	0	0	109.3
966	V	26.8	Very low	28.5	Very low	131 Å²	131	153.7 Å²	153.7	79%	0.794	80%	0.797	S	S	*	*				164.4	108.2	124.4	159.4	0	0	0	0	109.5
967	H	25.8	Very low	29	Very low	171 Å²	171	159.4 Å²	159.4	79%	0.792	82%	0.82	S	S	*	*			trans	-170.3	126.9	149.1	-127.8	-57.5	0	0	0	108.1
968	Y	26.1	Very low	29.3	Very low	202 Å²	202	158.2 Å²	158.2	79%	0.792	82%	0.82	S	S	*	*			trans	-154	115.1	159	-101.8	-68.1	0	0	0	111	Y970	Y968-Y970 HydrophobicContact CD1-CD2 4.06Å; Y968-Y970 AromaticContact CD1-CE2 3.91Å; Y968-Y970 HydrophobicContact CD1-CE2 3.91Å; Y968-Y970 AromaticContact CE1-CE2 3.91Å; Y968-Y970 HydrophobicContact CE1-CE2 3.91Å
969	S	28.1	Very low	29.5	Very low	100 Å²	100	161.2 Å²	161.2	70%	0.699	83%	0.828	S	S	*	*			trans	-77.4	156.6	153.7	54.4	0	0	0	0	110
970	Y	26.5	Very low	29.8	Very low	206 Å²	206	161 Å²	161	81%	0.808	83%	0.831	S	S	*	*			trans	-149.4	143.6	149.1	-111.4	-71.9	0	0	0	113.8	Y968	Y968-Y970 HydrophobicContact CD1-CD2 4.06Å; Y968-Y970 AromaticContact CD1-CE2 3.91Å; Y968-Y970 HydrophobicContact CD1-CE2 3.91Å; Y968-Y970 AromaticContact CE1-CE2 3.91Å; Y968-Y970 HydrophobicContact CE1-CE2 3.91Å
971	N	28.5	Very low	30	Very low	156 Å²	156	164.2 Å²	164.2	83%	0.834	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-86.5	158.7	172.2	-86.8	-41.6	0	0	0	112
972	I	31.8	Very low	30.2	Very low	161 Å²	161	159.2 Å²	159.2	83%	0.826	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-89.2	137.5	177.7	-60.7	169.3	0	0	0	110.4
973	P	43.1	Very low	30.4	Very low	111 Å²	111	164.3 Å²	164.3	72%	0.721	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-84.8	155.2	174.7	34.2	-34.9	0	0	0	113.2
974	R	29.8	Very low	30.8	Very low	250 Å²	250	164.4 Å²	164.4	94%	0.943	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-90.3	149.3	162.7	-78.2	-179.9	171.1	164.3	-3.4	110.6
975	V	31	Very low	30.3	Very low	139 Å²	139	168.4 Å²	168.4	84%	0.842	84%	0.835	S	S	*	*			trans	-125.8	147.9	163.5	177.3	0	0	0	0	108.2
976	K	35	Very low	30.5	Very low	185 Å²	185	171.1 Å²	171.1	80%	0.804	85%	0.845	S	S	*	*			trans	-108	134.8	162	-81	-176	169.7	-172.5	0	107.8
977	D	33.1	Very low	30.8	Very low	241 Å²	241	174.7 Å²	174.7	100%	1.289	85%	0.85	S	S	*	*				-149.1	0	107.4	-87.3	-28.4	0	0	0	108.5

Retrieved 977 of 977 residues in 193.9 ms (Link to these results)

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