A0A077ZJD8_TRITR Loading...

Zinc phosphodiesterase ELAC protein 2

AlphaFold DB , UniProt , Accession A0A077ZJD8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 992 aa.

						>A0A077ZJD8_TRITR|A0A077ZJD8
MKNVNVATSSKRPLLSDGALSEPSRKRGNVQGKLGKYTGPPTAYFEVIQNGCFGRGRCLFLFTTSAAYLFNVPEGTERLLSEHGVRYGKLQHIFFTRGSWDNIGGLNGLILGLRKAGIGDLHLHGIPGISSMIRGAEHVCEQAGPPVRIQEHYGNDAMYEDCNIHVHYFNLGSDGKLNQVHKVTSSHYVSHVFLVPALVLAVLGAEIVIVCRKENSDPRTASPSFQANYAYLIRVKQKPPKLLLEKCVQQKVPVGPLLGKLQAGLDVQLDDGRIILSADVLEEPEPCPAFAIIECADIHSLNRLCLLKAFDHLLKADEKLYAVVHFTEKEVFDNSGYQCWLGQFKPETKHFVLNEFMSPYKPHSEAVFRFNVQLNRVSKNIFPFLHLNTYAETAPDSETTIMSTEPWLRFALRPNAGQTEIVKPPFSSSALTDLIESESDVVKEIAYFQAEADKHVVNKEDELPSLTFLGTSSAAPVRTRNVSGLLVHLTKDCSLLCDCGESTFQQICTLYDKSQALAVLRSIKFIFISHMHADHFFGLATLLLQRKLAFTRNGFPYEPVFLMCPQSLPSIMVLFKPYVGNLGELYRHIYTHRRKVMGASSLTNLQDALDALRLKRLQCVPVIHPMGAHGLVITTDQERTIVYSGDTRPCQELISAGQGADLLIHEATMEDNLNEEACIKKHCTISEAIGVGQSMGARFTLLTHFSGRYSKLPLVDSKHDSAPVYMGTDGDDQQPDAVSKKQLKRQRKREQWLLRRKERRKREQERRKQRRAEARKAGEPTKPGRKTLKRTPMESSQCRQRVAVDMSFDSLMSERDQQKAIRQLGHCYAVNRRAANPIQMYIVNFCGSSRILFDGTEGNSNWDVLLKSEPLTTVFDKSDIVYLSSESPNCLDELDETKVYVIGGLVDHNHYKGKCLDVAESNGIAHARLPIEEHMNLKTRRVLTINHVFEILLRYTESRSWKTSFDMVIPMRKRCLSETSVGPTEPKLLTPV
					

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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	30.3	Very low	24.3	Very low	253 Å²	253	150.5 Å²	150.5	100%	1.246	85%	0.847	S	S	*	*				0	145.9	0	-77.8	179.4	176.2	0	0	108.6
2	K	27.4	Very low	24	Very low	203 Å²	203	158 Å²	158	88%	0.883	85%	0.852	S	S	*	*			trans	-59.2	140.5	-149.3	-70	171	171.9	175.7	0	117.1
3	N	22.4	Very low	23.9	Very low	142 Å²	142	154.5 Å²	154.5	76%	0.759	84%	0.843	S	S	*	*			trans	-0.1	130.6	136.7	-63.4	-21.1	0	0	0	117.2
4	V	28.8	Very low	23.7	Very low	148 Å²	148	156.2 Å²	156.2	90%	0.897	85%	0.849	S	S	*	*				-142.7	128.1	129.2	-177.9	0	0	0	0	109.4
5	N	23.1	Very low	23.8	Very low	136 Å²	136	156.9 Å²	156.9	73%	0.727	85%	0.85	S	S	*	*			trans	-73.8	148.5	-176.7	-78.8	-45.1	0	0	0	114
6	V	20.3	Very low	23.7	Very low	122 Å²	122	153.5 Å²	153.5	74%	0.739	84%	0.842	S	S	*	*				12.2	122.2	129.4	-170.7	0	0	0	0	117.1	T8	V6-T8 HydrophobicContact CG1-CG2 4Å
7	A	24.6	Very low	23.5	Very low	105 Å²	105	154.4 Å²	154.4	87%	0.868	85%	0.846	S	S	*	*			trans	-129.5	124.1	148.6	0	0	0	0	0	109.8
8	T	22.4	Very low	23.6	Very low	113 Å²	113	150.1 Å²	150.1	69%	0.693	84%	0.842	S	S	*	*			trans	-82.2	151.5	-174.5	42	0	0	0	0	113.5	V6	V6-T8 HydrophobicContact CG1-CG2 4Å
9	S	21	Very low	23.5	Very low	111 Å²	111	147.5 Å²	147.5	78%	0.776	84%	0.842	S	S	*	*			trans	20.3	109.5	147.6	66.8	0	0	0	0	118.9
10	S	25	Very low	23.6	Very low	122 Å²	122	148.8 Å²	148.8	85%	0.853	85%	0.846	S	S	*	*			trans	-105.2	123.2	152.5	54.1	0	0	0	0	109.6
11	K	22.5	Very low	23.5	Very low	200 Å²	200	146.8 Å²	146.8	87%	0.87	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-61.6	135.6	179	-69.2	171.8	174.3	177.1	0	110.3
12	R	20.9	Very low	23.2	Very low	241 Å²	241	143 Å²	143	91%	0.909	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-64.4	136.1	166.6	-81.4	-178.3	176.1	-170.1	-2.8	109.9
13	P	22.8	Very low	23.1	Very low	113 Å²	113	138.9 Å²	138.9	73%	0.734	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-72.2	135.1	171	-8.2	24.3	0	0	0	110.6
14	L	20.7	Very low	23.1	Very low	178 Å²	178	136.9 Å²	136.9	93%	0.932	81%	0.811	S	S	*	*			trans	-71.1	115.3	159.1	-75	151.3	0	0	0	107.2
15	L	24.9	Very low	22.9	Very low	166 Å²	166	141.2 Å²	141.2	87%	0.869	81%	0.811	S	S	*	*			trans	-112.7	127.7	162	-82.5	168.7	0	0	0	108.4
16	S	21.7	Very low	22.9	Very low	103 Å²	103	144.5 Å²	144.5	72%	0.72	82%	0.819	S	S	*	*			trans	-75.7	156.1	-170.7	47.1	0	0	0	0	114.2
17	D	21.1	Very low	23.1	Very low	169 Å²	169	149.3 Å²	149.3	90%	0.904	82%	0.824	S	S	*	*			trans	-6.5	117.5	154.4	-60.7	-39.1	0	0	0	117.4
18	G	24.5	Very low	23.1	Very low	76 Å²	76	147 Å²	147	78%	0.784	81%	0.81	S	S	*	*			trans	-149.1	96.2	165.8	0	0	0	0	0	108.8	L20	G18-L20 PolarHBondContact O-N 3.44Å
19	A	21.8	Very low	23.1	Very low	102 Å²	102	148.2 Å²	148.2	84%	0.843	81%	0.813	S	S	*	*			trans	-62.5	123	176.7	0	0	0	0	0	111.6
20	L	26.6	Very low	23.3	Very low	173 Å²	173	148.5 Å²	148.5	91%	0.906	81%	0.809	S	S	*	*			trans	-140.4	111.1	153.9	-85.2	171.5	0	0	0	108.9	G18	G18-L20 PolarHBondContact O-N 3.44Å
21	S	21.7	Very low	23.5	Very low	107 Å²	107	149.7 Å²	149.7	75%	0.748	80%	0.802	S	S	*	*			trans	-62.4	131.8	171.3	48	0	0	0	0	112.6
22	E	24.1	Very low	23.8	Very low	173 Å²	173	142.6 Å²	142.6	81%	0.808	79%	0.785	S	S	*	*			trans	52	144.9	148.5	-76.5	-162.7	169.1	0	0	120.5
23	P	24.4	Very low	24.3	Very low	116 Å²	116	140.4 Å²	140.4	75%	0.753	78%	0.782	S	S	*	*			cis	-132.7	150.9	37.6	34.1	-14.3	0	0	0	116.2	R25	P23-R25 PolarHBondContact O-N 3.14Å
24	S	21.8	Very low	25.3	Very low	101 Å²	101	141.5 Å²	141.5	71%	0.706	78%	0.781	S	S	*	*			trans	-41	96.6	164.5	-60.1	0	0	0	0	112.4	K26	S24-K26 VanDerWaalsContact C-N 3.33Å; S24-K26 PolarHBondContact O-N 3.02Å
25	R	25.4	Very low	26.6	Very low	238 Å²	238	134.6 Å²	134.6	90%	0.898	75%	0.753	S	S	*	*			trans	-60.2	101.2	160.8	-91.1	-178.7	172.4	169.3	-1.5	107.1	P23 R27	P23-R25 PolarHBondContact O-N 3.14Å; R25-R27 VanDerWaalsContact C-N 3.32Å; R25-R27 PolarHBondContact O-N 2.95Å
26	K	23.2	Very low	28.4	Very low	205 Å²	205	135 Å²	135	89%	0.891	75%	0.747	S	S	*	*			trans	-44.6	100.4	159	-71.5	179.7	176.4	178.4	0	107.3	S24 G28	S24-K26 VanDerWaalsContact C-N 3.33Å; S24-K26 PolarHBondContact O-N 3.02Å; K26-G28 PolarHBondContact O-N 2.79Å
27	R	24.7	Very low	30.7	Very low	224 Å²	224	132.2 Å²	132.2	85%	0.845	72%	0.721	S	S	*	*			trans	-68.5	83.7	166	-76.3	-177.1	176.8	-176.7	-0.2	105.7	R25 N29	R25-R27 VanDerWaalsContact C-N 3.32Å; R25-R27 PolarHBondContact O-N 2.95Å; R27-N29 PolarHBondContact O-N 3.43Å
28	G	23.3	Very low	33.3	Very low	55 Å²	55	126.3 Å²	126.3	57%	0.567	69%	0.691	S	S	*	*			trans	-54.4	133.2	165	0	0	0	0	0	107.8	K26 V30	K26-G28 PolarHBondContact O-N 2.79Å; G28-V30 PolarHBondContact O-N 3.28Å
29	N	23.9	Very low	36.2	Very low	140 Å²	140	122.8 Å²	122.8	75%	0.749	66%	0.656	S	S	*	*			trans	-35.4	97.9	174.4	-74	-25.5	0	0	0	111.4	R27 Q31	R27-N29 PolarHBondContact O-N 3.43Å; N29-Q31 PolarHBondContact O-N 3.32Å
30	V	24.9	Very low	39.5	Very low	117 Å²	117	118.1 Å²	118.1	71%	0.709	62%	0.616	S	S	*	*			trans	-81.1	72.1	156.8	-173.6	0	0	0	0	104.6	G28 G32	G28-V30 PolarHBondContact O-N 3.28Å; V30-G32 PolarHBondContact O-N 3.02Å
31	Q	28	Very low	42.5	Very low	147 Å²	147	113.7 Å²	113.7	69%	0.687	60%	0.598	S	S	*	*			trans	-52.8	109.5	143.2	-86	-179.9	-10.5	0	0	103.8	N29 K33	N29-Q31 PolarHBondContact O-N 3.32Å; Q31-K33 PolarHBondContact O-N 3.02Å
32	G	29.9	Very low	45.8	Very low	51 Å²	51	110.9 Å²	110.9	53%	0.526	58%	0.577	S	S	.	*			trans	-44	111.8	-175.3	0	0	0	0	0	108.5	V30 L34	V30-G32 PolarHBondContact O-N 3.02Å; G32-L34 VanDerWaalsContact C-N 3.28Å; G32-L34 PolarHBondContact O-N 3.33Å
33	K	31.8	Very low	49.2	Very low	195 Å²	195	102.7 Å²	102.7	85%	0.848	54%	0.538	S	S	*	.			trans	-48.6	109	157.9	-75.4	-178.7	175.5	-178.7	0	103.7	Q31 G35	Q31-K33 PolarHBondContact O-N 3.02Å; K33-G35 PolarHBondContact O-N 2.85Å
34	L	42.2	Very low	52.6	Low	136 Å²	136	98.8 Å²	98.8	71%	0.712	51%	0.509	S	S	*	.			trans	-39.4	122.6	159.7	-100.1	72.4	0	0	0	104.7	G32 K36 T38	G32-L34 VanDerWaalsContact C-N 3.28Å; G32-L34 PolarHBondContact O-N 3.33Å; L34-K36 PolarHBondContact O-N 2.8Å; L34-T38 HydrophobicContact CD2-CG2 4.11Å; L34-T38 HydrophobicContact CG-CG2 4.45Å
35	G	48.9	Very low	56.1	Low	32 Å²	32	94 Å²	94	33%	0.33	48%	0.475	S	S	.	.			trans	-48.1	144.8	174.7	0	0	0	0	0	108.4	K33 Y37	K33-G35 PolarHBondContact O-N 2.85Å; G35-Y37 PolarHBondContact O-N 2.96Å
36	K	62.1	Low	59.4	Low	174 Å²	174	83.4 Å²	83.4	76%	0.757	44%	0.436	S	S	*	.	S	Bend	trans	-49.6	-21.1	177.7	-169.3	179.1	178.8	-175.6	0	112.4	L34	L34-K36 PolarHBondContact O-N 2.8Å
37	Y	69.9	Low	62.8	Low	45 Å²	45	73.7 Å²	73.7	18%	0.176	39%	0.394	C	S	.	.			trans	-112.8	113.1	-178	-49.8	-72	0	0	0	111.7	G35 Q237 P239 P240	G35-Y37 PolarHBondContact O-N 2.96Å; Y37-Q237 HydrophobicContact CD1-CB 3.98Å; Y37-Q237 HydrophobicContact CD1-CG 3.42Å; Y37-Q237 VanDerWaalsContact CD1-CG 3.42Å; Y37-Q237 HydrophobicContact CE1-CB 4.5Å; Y37-Q237 HydrophobicContact CE1-CG 3.62Å; Y37-P239 VanDerWaalsContact CB-CA 3.46Å; Y37-P240 HydrophobicContact CD2-CG 4.07Å; Y37-P240 HydrophobicContact CE1-CG 4.35Å; Y37-P240 HydrophobicContact CE2-CG 3.79Å; Y37-P240 VanDerWaalsContact CG-CD 3.44Å; Y37-P240 HydrophobicContact CG-CG 4.47Å
38	T	76.9	Confident	66.1	Low	45 Å²	45	63 Å²	63	28%	0.276	35%	0.353	S	S	.	.			trans	-124.6	-7.8	176.6	46.9	0	0	0	0	113.5	L34 C162 Q237	L34-T38 HydrophobicContact CD2-CG2 4.11Å; L34-T38 HydrophobicContact CG-CG2 4.45Å; T38-C162 CarbonylContact C-O 3.45Å; T38-C162 VanDerWaalsContact C-O 3.25Å; T38-C162 WeakPolarHBondContact CB-O 3.46Å; T38-C162 PolarHBondContact OG1-O 3.02Å; T38-Q237 PolarHBondContact N-O 2.96Å
39	G	83.8	Confident	69.5	Low	3 Å²	3	60.4 Å²	60.4	3%	0.031	33%	0.326	C	S	.	.			trans	-66.6	155	-171.8	0	0	0	0	0	114.5	K236 Q237 P239	G39-K236 WeakPolarHBondContact CA-O 3.17Å; G39-Q237 WeakPolarHBondContact CA-O 3.41Å; G39-Q237 PolarHBondContact N-O 3.25Å; G39-P239 WeakPolarHBondContact O-CD 3.24Å
40	P	91.1	Very high	72.8	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.019	29%	0.291	C	S	.	.			trans	-75.1	146	-173.2	32.2	-36	0	0	0	111	T42 A43 T63 N163 V235 R413	P40-T42 VanDerWaalsContact C-N 3.25Å; P40-T42 PolarHBondContact O-N 2.83Å; P40-A43 HydrophobicContact CG-CB 4.15Å; P40-T63 HydrophobicContact CB-CG2 4.45Å; P40-T63 HydrophobicContact CG-CG2 4.04Å; P40-N163 HydrophobicContact CG-CB 4.19Å; P40-V235 HydrophobicContact CG-CG1 3.79Å; P40-R413 VanDerWaalsContact O-CD 3.26Å; P40-R413 WeakPolarHBondContact O-CD 3.38Å; P40-R413 PolarHBondContact O-NH1 3.42Å
41	P	89.9	Confident	76	Confident	80 Å²	80	48.3 Å²	48.3	52%	0.519	26%	0.259	S	S	.	.	S	Bend	trans	-71.7	-21.5	173.5	29.3	-34.1	0	0	0	112.6	T64 R413	P41-T64 WeakPolarHBondContact CD-OG1 3.22Å; P41-T64 HydrophobicContact CG-CG2 4.12Å; P41-T64 WeakPolarHBondContact CG-OG1 3.19Å; P41-R413 VanDerWaalsContact O-CD 3.28Å; P41-R413 WeakPolarHBondContact O-CD 3.44Å; P41-R413 VanDerWaalsContact O-CG 3.26Å; P41-R413 WeakPolarHBondContact O-CG 3.47Å
42	T	92.1	Very high	79.1	Confident	49 Å²	49	41.5 Å²	41.5	30%	0.301	23%	0.227	S	C	.	.			trans	-131	130.1	175.6	-51.1	0	0	0	0	109.6	P40 Y44 T63 T64 R413	P40-T42 VanDerWaalsContact C-N 3.25Å; P40-T42 PolarHBondContact O-N 2.83Å; T42-Y44 HydrophobicContact CG2-CD1 4.07Å; T42-Y44 HydrophobicContact CG2-CE1 4.26Å; T42-T63 VanDerWaalsContact O-CA 3.32Å; T42-T63 WeakPolarHBondContact O-CA 3.46Å; T42-T64 WeakPolarHBondContact CB-OG1 3.42Å; T42-T64 PolarHBondContact N-OG1 3.42Å; T42-T64 PolarHBondContact O-N 2.82Å; T42-T64 PolarHBondContact O-OG1 2.88Å; T42-R413 CarbonylContact C-O 3.54Å; T42-R413 VanDerWaalsContact CA-O 3.3Å; T42-R413 WeakPolarHBondContact CA-O 3.42Å; T42-R413 WeakPolarHBondContact CG2-O 3.28Å
43	A	95.2	Very high	82	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	134	173.2	0	0	0	0	0	109.5	P40 F62 T63 V235 L412 R413	P40-A43 HydrophobicContact CG-CB 4.15Å; A43-F62 WeakPolarHBondContact CA-O 3.29Å; A43-T63 HydrophobicContact CB-CG2 4.39Å; A43-V235 HydrophobicContact CB-CG1 4.03Å; A43-V235 HydrophobicContact CB-CG2 4.15Å; A43-L412 HydrophobicContact CB-CB 4.12Å; A43-L412 CarbonylContact O-C 3.46Å; A43-L412 WeakPolarHBondContact O-CA 3.47Å; A43-L412 WeakPolarHBondContact O-CB 3.43Å; A43-L412 PolarHBondContact O-N 2.94Å; A43-R413 HydrophobicContact CB-CB 4.44Å; A43-R413 PolarHBondContact N-O 2.87Å; A43-R413 PolarHBondContact O-N 2.99Å; A43-R413 VanDerWaalsContact O-O 3.05Å
44	Y	95.7	Very high	84.8	Confident	35 Å²	35	31 Å²	31	14%	0.137	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	153.8	173.3	58.7	-103	0	0	0	108.8	T42 E46 L61 F62 R409 F410	T42-Y44 HydrophobicContact CG2-CD1 4.07Å; T42-Y44 HydrophobicContact CG2-CE1 4.26Å; Y44-E46 HydrophobicContact CD2-CG 3.88Å; Y44-E46 VanDerWaalsContact CE2-CD 3.43Å; Y44-E46 HydrophobicContact CE2-CG 3.83Å; Y44-E46 WeakPolarHBondContact CE2-OE1 3.36Å; Y44-L61 WeakPolarHBondContact O-CD1 3.06Å; Y44-F62 HydrophobicContact CD1-CD1 4.14Å; Y44-F62 HydrophobicContact CD2-CB 4.01Å; Y44-F62 HydrophobicContact CE1-CB 4.1Å; Y44-F62 AromaticContact CE1-CD1 3.36Å; Y44-F62 HydrophobicContact CE1-CD1 3.36Å; Y44-F62 HydrophobicContact CE1-CE1 4.07Å; Y44-F62 HydrophobicContact CE1-CG 4.03Å; Y44-F62 HydrophobicContact CE2-CB 3.48Å; Y44-F62 VanDerWaalsContact CE2-CB 3.48Å; Y44-F62 HydrophobicContact CE2-CD1 4.28Å; Y44-F62 HydrophobicContact CE2-CG 4.11Å; Y44-F62 AromaticContact CZ-CD1 3.46Å; Y44-F62 VanDerWaalsContact CZ-CD1 3.46Å; Y44-F62 AromaticContact CZ-CG 3.64Å; Y44-F62 PolarHBondContact N-O 3.42Å; Y44-F62 VanDerWaalsContact N-O 3.11Å; Y44-F62 PolarHBondContact O-N 2.88Å; Y44-F62 WeakPolarHBondContact OH-CD1 3.43Å; Y44-R409 HydrophobicContact CD2-CG 3.68Å; Y44-R409 HydrophobicContact CE2-CG 4.39Å; Y44-R409 HydrophobicContact CG-CG 3.88Å; Y44-R409 PolarHBondContact OH-NH2 3.46Å; Y44-F410 VanDerWaalsContact CA-O 3.26Å; Y44-F410 WeakPolarHBondContact CA-O 3.39Å; Y44-F410 VanDerWaalsContact CB-O 3.23Å; Y44-F410 WeakPolarHBondContact CB-O 3.43Å
45	F	95.9	Very high	87.2	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	153.3	165.5	70.4	-112.2	0	0	0	110.8	L59 F60 L61 F290 A322 V324 F351 R409 F410	F45-L59 HydrophobicContact CB-CD1 4.45Å; F45-L59 HydrophobicContact CB-CD2 3.98Å; F45-L59 HydrophobicContact CB-CG 4.12Å; F45-L59 HydrophobicContact CD2-CD1 3.61Å; F45-L59 HydrophobicContact CD2-CD2 4.18Å; F45-L59 HydrophobicContact CD2-CG 4.18Å; F45-L59 HydrophobicContact CE2-CD1 4.13Å; F45-L59 HydrophobicContact CG-CD1 4.27Å; F45-L59 HydrophobicContact CG-CD2 4.05Å; F45-L59 HydrophobicContact CG-CG 4.37Å; F45-F60 CarbonylContact C-O 3.54Å; F45-F60 VanDerWaalsContact CA-O 3.25Å; F45-F60 WeakPolarHBondContact CA-O 3.4Å; F45-L61 HydrophobicContact CB-CD1 4.29Å; F45-F290 HydrophobicContact CD1-CD1 4.34Å; F45-F290 AromaticContact CD1-CD2 3.95Å; F45-F290 HydrophobicContact CD1-CD2 3.95Å; F45-F290 HydrophobicContact CD1-CE1 4.38Å; F45-F290 AromaticContact CD1-CE2 3.98Å; F45-F290 HydrophobicContact CD1-CE2 3.98Å; F45-F290 HydrophobicContact CD1-CG 4.13Å; F45-F290 HydrophobicContact CD1-CZ 4.21Å; F45-F290 HydrophobicContact CE1-CB 4.42Å; F45-F290 HydrophobicContact CE1-CD2 4.02Å; F45-F290 HydrophobicContact CE1-CE2 4.46Å; F45-F290 HydrophobicContact CE1-CG 4.17Å; F45-A322 HydrophobicContact CE1-CB 4.08Å; F45-A322 HydrophobicContact CZ-CB 4.24Å; F45-V324 HydrophobicContact CE1-CG2 4.3Å; F45-V324 HydrophobicContact CE2-CG2 4.25Å; F45-V324 HydrophobicContact CZ-CG2 3.89Å; F45-F351 HydrophobicContact CE2-CD2 4.36Å; F45-F351 HydrophobicContact CE2-CE2 4.33Å; F45-F351 AromaticContact CZ-CD2 3.77Å; F45-F351 HydrophobicContact CZ-CD2 3.77Å; F45-F351 AromaticContact CZ-CE2 3.62Å; F45-F351 HydrophobicContact CZ-CE2 3.62Å; F45-F351 HydrophobicContact CZ-CZ 4.26Å; F45-R409 CarbonylContact O-C 3.53Å; F45-R409 WeakPolarHBondContact O-CA 3.48Å; F45-F410 HydrophobicContact CD1-CB 4.05Å; F45-F410 AromaticContact CD1-CD1 3.9Å; F45-F410 HydrophobicContact CD1-CD1 3.9Å; F45-F410 HydrophobicContact CD1-CG 4.42Å; F45-F410 HydrophobicContact CD2-CB 3.81Å; F45-F410 HydrophobicContact CE1-CB 3.64Å; F45-F410 AromaticContact CE1-CD1 3.21Å; F45-F410 HydrophobicContact CE1-CD1 3.21Å; F45-F410 HydrophobicContact CE1-CE1 4.08Å; F45-F410 AromaticContact CE1-CG 3.71Å; F45-F410 HydrophobicContact CE1-CG 3.71Å; F45-F410 HydrophobicContact CE2-CB 3.37Å; F45-F410 HydrophobicContact CE2-CG 4.19Å; F45-F410 HydrophobicContact CG-CB 4.14Å; F45-F410 HydrophobicContact CZ-CB 3.28Å; F45-F410 AromaticContact CZ-CD1 3.59Å; F45-F410 HydrophobicContact CZ-CD1 3.59Å; F45-F410 AromaticContact CZ-CG 3.58Å; F45-F410 HydrophobicContact CZ-CG 3.58Å; F45-F410 PolarHBondContact N-O 2.93Å; F45-F410 VanDerWaalsContact N-O 3.08Å; F45-F410 PolarHBondContact O-N 3.06Å
46	E	94.1	Very high	89.3	Confident	16 Å²	16	25.1 Å²	25.1	8%	0.075	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.9	177.2	-80.2	172.9	-177.3	0	0	110.2	Y44 I48 L59 F60 L408 R409	Y44-E46 HydrophobicContact CD2-CG 3.88Å; Y44-E46 VanDerWaalsContact CE2-CD 3.43Å; Y44-E46 HydrophobicContact CE2-CG 3.83Å; Y44-E46 WeakPolarHBondContact CE2-OE1 3.36Å; E46-I48 HydrophobicContact CB-CD1 4.5Å; E46-I48 PolarHBondContact O-N 2.84Å; E46-L59 WeakPolarHBondContact O-CA 3.44Å; E46-L59 WeakPolarHBondContact O-CD1 3.49Å; E46-F60 PolarHBondContact N-O 3.27Å; E46-F60 PolarHBondContact O-N 3.5Å; E46-L408 CarbonylContact C-O 3.4Å; E46-L408 VanDerWaalsContact CA-O 3.29Å; E46-L408 WeakPolarHBondContact CA-O 3.39Å; E46-R409 HydrophobicContact CG-CB 3.74Å; E46-R409 HydrophobicContact CG-CG 3.92Å; E46-R409 IonicContact OE1-CZ 3.88Å; E46-R409 IonicContact OE1-NE 3.88Å; E46-R409 PolarHBondContact OE1-NE 3.17Å; E46-R409 IonicContact OE1-NH2 3.15Å; E46-R409 PolarHBondContact OE1-NH2 3.05Å
47	V	94.4	Very high	90.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	114.4	170.8	178.3	0	0	0	0	108.7	N50 L59 L353 T404 W407 L408	V47-N50 HydrophobicContact CG1-CB 3.77Å; V47-L59 HydrophobicContact CG2-CD1 3.97Å; V47-L353 HydrophobicContact CG1-CD2 3.89Å; V47-L353 HydrophobicContact CG1-CG 4.47Å; V47-L353 HydrophobicContact CG2-CD2 4.43Å; V47-T404 HydrophobicContact CG2-CG2 4.41Å; V47-W407 WeakPolarHBondContact O-CA 3.32Å; V47-W407 PolarHBondContact O-N 3.31Å; V47-L408 HydrophobicContact CB-CB 4.45Å; V47-L408 HydrophobicContact CG2-CB 4.33Å; V47-L408 PolarHBondContact N-O 3.34Å
48	I	93.5	Very high	92.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-45.4	177.7	-54.9	-61.1	0	0	0	110.4	E46 C58 F60 L79 L80 H363 W407	E46-I48 HydrophobicContact CB-CD1 4.5Å; E46-I48 PolarHBondContact O-N 2.84Å; I48-C58 HydrophobicContact CB-CB 4.04Å; I48-C58 PolarHBondContact N-O 2.69Å; I48-F60 HydrophobicContact CD1-CB 3.68Å; I48-F60 HydrophobicContact CD1-CG 4.41Å; I48-F60 HydrophobicContact CG1-CB 3.56Å; I48-L79 HydrophobicContact CG2-CB 4.09Å; I48-L79 HydrophobicContact CG2-CD1 4.12Å; I48-L80 HydrophobicContact CD1-CD2 4.29Å; I48-L80 HydrophobicContact CG1-CD2 4.46Å; I48-H363 PolarHBondContact O-CD2 3.46Å; I48-W407 HydrophobicContact CD1-CE3 4.02Å; I48-W407 HydrophobicContact CD1-CH2 4.13Å; I48-W407 HydrophobicContact CD1-CZ3 3.38Å; I48-W407 HydrophobicContact CG2-CH2 4.12Å; I48-W407 HydrophobicContact CG2-CZ3 4.42Å
49	Q	94.4	Very high	93.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.7	171	-56	-165.5	42.6	0	0	108.7	G56 R57 C58 P73 E74 T76 L79	Q49-G56 CarbonylContact C-O 3.54Å; Q49-G56 WeakPolarHBondContact CB-O 3.42Å; Q49-R57 WeakPolarHBondContact O-CA 3.37Å; Q49-C58 HydrophobicContact CB-CB 4.03Å; Q49-C58 HydrophobicContact CG-CB 4.16Å; Q49-C58 PolarHBondContact N-O 3.18Å; Q49-C58 PolarHBondContact O-N 2.91Å; Q49-P73 HydrophobicContact CG-CG 4.42Å; Q49-E74 PolarHBondContact NE2-O 2.78Å; Q49-T76 PolarHBondContact NE2-OG1 3.45Å; Q49-T76 VanDerWaalsContact NE2-OG1 3.17Å; Q49-L79 HydrophobicContact CG-CD1 3.61Å
50	N	93.6	Very high	93.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	1.1	-171.2	68.7	-22.4	0	0	0	114.1	V47 C52 L353 S358 P359 H363 T404	V47-N50 HydrophobicContact CG1-CB 3.77Å; N50-C52 VanDerWaalsContact C-N 3.35Å; N50-C52 PolarHBondContact OD1-N 3.45Å; N50-C52 PolarHBondContact OD1-SG 3.03Å; N50-L353 CarbonylContact O-C 3.22Å; N50-L353 WeakPolarHBondContact O-CA 3.24Å; N50-L353 WeakPolarHBondContact O-CB 3.21Å; N50-S358 VanDerWaalsContact O-CB 3.27Å; N50-S358 WeakPolarHBondContact O-CB 3.1Å; N50-S358 PolarHBondContact O-OG 3.38Å; N50-P359 PolarHBondContact ND2-O 3.45Å; N50-H363 PolarHBondContact OD1-CE1 3.3Å; N50-H363 PolarHBondContact OD1-NE2 2.98Å; N50-T404 PolarHBondContact ND2-O 2.76Å
51	G	93	Very high	93.9	Very high	4 Å²	4	13.2 Å²	13.2	4%	0.041	8%	0.076	C	C	.	.			trans	77.1	16.2	179.7	0	0	0	0	0	114.7	G56 N354 E355	G51-G56 WeakPolarHBondContact CA-O 3.39Å; G51-G56 PolarHBondContact N-O 3.28Å; G51-N354 CarbonylContact O-C 3.25Å; G51-E355 WeakPolarHBondContact O-CA 3.36Å; G51-E355 PolarHBondContact O-N 3.4Å
52	C	91.8	Very high	94.1	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.02	6%	0.061	C	C	.	.			trans	-66.7	167.4	170.7	67	0	0	0	0	111.6	N50 G54 R55 S358 Y360 H363	N50-C52 VanDerWaalsContact C-N 3.35Å; N50-C52 PolarHBondContact OD1-N 3.45Å; N50-C52 PolarHBondContact OD1-SG 3.03Å; C52-G54 PolarHBondContact O-N 3.24Å; C52-R55 PolarHBondContact O-N 3.14Å; C52-R55 VanDerWaalsContact O-O 3.06Å; C52-S358 WeakPolarHBondContact CB-O 3.44Å; C52-Y360 HydrophobicContact CB-CD2 4.13Å; C52-Y360 WeakPolarHBondContact SG-CD2 3.29Å; C52-H363 VanDerWaalsContact SG-CE1 3.58Å
53	F	91	Very high	94.1	Very high	17 Å²	17	9.3 Å²	9.3	8%	0.075	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	126.8	-178.5	177.4	-104.3	0	0	0	111.8	R55 E355 Y360 F504 C508 K513 A516 L517	F53-R55 VanDerWaalsContact C-N 3.34Å; F53-E355 HydrophobicContact CB-CG 4.04Å; F53-Y360 VanDerWaalsContact O-CD2 3.32Å; F53-Y360 WeakPolarHBondContact O-CD2 3.5Å; F53-Y360 WeakPolarHBondContact O-CE2 3.45Å; F53-F504 HydrophobicContact CE2-CZ 4.39Å; F53-F504 HydrophobicContact CZ-CE2 4.45Å; F53-F504 HydrophobicContact CZ-CZ 4.28Å; F53-C508 HydrophobicContact CE1-CB 4.41Å; F53-C508 VanDerWaalsContact CE1-SG 3.51Å; F53-K513 HydrophobicContact CB-CD 4.37Å; F53-K513 HydrophobicContact CD1-CB 3.84Å; F53-K513 HydrophobicContact CD1-CD 4.32Å; F53-K513 HydrophobicContact CD1-CG 3.78Å; F53-K513 HydrophobicContact CD2-CD 4.11Å; F53-K513 HydrophobicContact CD2-CG 4.01Å; F53-K513 HydrophobicContact CE1-CB 3.91Å; F53-K513 HydrophobicContact CE1-CG 3.76Å; F53-K513 HydrophobicContact CE2-CG 3.99Å; F53-K513 HydrophobicContact CG-CB 4.36Å; F53-K513 HydrophobicContact CG-CD 3.99Å; F53-K513 HydrophobicContact CG-CG 3.9Å; F53-K513 HydrophobicContact CZ-CB 4.49Å; F53-K513 HydrophobicContact CZ-CG 3.87Å; F53-A516 HydrophobicContact CE1-CB 3.99Å; F53-A516 HydrophobicContact CZ-CB 4.33Å; F53-L517 HydrophobicContact CE2-CD2 4.19Å; F53-L517 HydrophobicContact CZ-CD2 4.05Å; F53-L517 HydrophobicContact CZ-CG 4.18Å
54	G	91.1	Very high	93.7	Very high	9 Å²	9	12.3 Å²	12.3	9%	0.093	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-1.8	-177.4	0	0	0	0	0	115.3	C52 Q505	C52-G54 PolarHBondContact O-N 3.24Å; G54-Q505 VanDerWaalsContact O-CG 3.29Å; G54-Q505 WeakPolarHBondContact O-CG 3.41Å
55	R	92.7	Very high	93.2	Very high	32 Å²	32	13.7 Å²	13.7	12%	0.121	8%	0.08	C	C	.	.			trans	-128.7	147.8	-179.6	-58.7	-69.5	178.9	-166.8	-5.4	110.4	C52 F53 T509	C52-R55 PolarHBondContact O-N 3.14Å; C52-R55 VanDerWaalsContact O-O 3.06Å; F53-R55 VanDerWaalsContact C-N 3.34Å; R55-T509 PolarHBondContact NH2-OG1 3.14Å
56	G	93.9	Very high	92.9	Very high	13 Å²	13	14.4 Å²	14.4	13%	0.134	9%	0.086	C	C	.	.			trans	-87.8	-165.4	175.9	0	0	0	0	0	112.3	Q49 G51	Q49-G56 CarbonylContact C-O 3.54Å; Q49-G56 WeakPolarHBondContact CB-O 3.42Å; G51-G56 WeakPolarHBondContact CA-O 3.39Å; G51-G56 PolarHBondContact N-O 3.28Å
57	R	95.6	Very high	92.8	Very high	12 Å²	12	13.7 Å²	13.7	5%	0.045	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.7	179	-59.8	169.7	-179.2	94.8	9	109	Q49 N71 P73 F326 E328 L353	Q49-R57 WeakPolarHBondContact O-CA 3.37Å; R57-N71 VanDerWaalsContact O-CB 3.24Å; R57-N71 WeakPolarHBondContact O-CB 3.44Å; R57-P73 WeakPolarHBondContact O-CD 3.36Å; R57-F326 HydrophobicContact CB-CD1 4.3Å; R57-F326 HydrophobicContact CB-CD2 3.79Å; R57-F326 HydrophobicContact CB-CE1 4.42Å; R57-F326 HydrophobicContact CB-CE2 3.89Å; R57-F326 HydrophobicContact CB-CG 4Å; R57-F326 HydrophobicContact CB-CZ 4.21Å; R57-F326 WeakPolarHBondContact CD-O 3.37Å; R57-F326 HydrophobicContact CG-CG 4.44Å; R57-F326 PolarHBondContact NE-O 2.86Å; R57-E328 IonicContact CZ-OE1 3.76Å; R57-E328 IonicContact CZ-OE2 3.47Å; R57-E328 IonicContact NH1-OE1 2.8Å; R57-E328 PolarHBondContact NH1-OE1 3.34Å; R57-E328 IonicContact NH2-OE1 3.27Å; R57-E328 PolarHBondContact NH2-OE1 3.06Å; R57-E328 IonicContact NH2-OE2 2.8Å; R57-E328 PolarHBondContact NH2-OE2 2.9Å; R57-L353 WeakPolarHBondContact CD-O 3.32Å; R57-L353 HydrophobicContact CG-CB 4.33Å; R57-L353 PolarHBondContact NE-O 3.33Å
58	C	96.6	Very high	92.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	124.9	-177.9	-176.5	0	0	0	0	110.1	I48 Q49 F70 N71 P73	I48-C58 HydrophobicContact CB-CB 4.04Å; I48-C58 PolarHBondContact N-O 2.69Å; Q49-C58 HydrophobicContact CB-CB 4.03Å; Q49-C58 HydrophobicContact CG-CB 4.16Å; Q49-C58 PolarHBondContact N-O 3.18Å; Q49-C58 PolarHBondContact O-N 2.91Å; C58-F70 WeakPolarHBondContact CA-O 3.36Å; C58-N71 PolarHBondContact SG-O 3.1Å; C58-P73 HydrophobicContact CB-CG 3.94Å
59	L	96.5	Very high	92.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136	175.5	-160.7	79.9	0	0	0	110	F45 E46 V47 L69 F70 F290 I292 V324 F326	F45-L59 HydrophobicContact CB-CD1 4.45Å; F45-L59 HydrophobicContact CB-CD2 3.98Å; F45-L59 HydrophobicContact CB-CG 4.12Å; F45-L59 HydrophobicContact CD2-CD1 3.61Å; F45-L59 HydrophobicContact CD2-CD2 4.18Å; F45-L59 HydrophobicContact CD2-CG 4.18Å; F45-L59 HydrophobicContact CE2-CD1 4.13Å; F45-L59 HydrophobicContact CG-CD1 4.27Å; F45-L59 HydrophobicContact CG-CD2 4.05Å; F45-L59 HydrophobicContact CG-CG 4.37Å; E46-L59 WeakPolarHBondContact O-CA 3.44Å; E46-L59 WeakPolarHBondContact O-CD1 3.49Å; V47-L59 HydrophobicContact CG2-CD1 3.97Å; L59-L69 CarbonylContact O-C 3.55Å; L59-L69 WeakPolarHBondContact O-CA 3.49Å; L59-F70 HydrophobicContact CB-CB 4.08Å; L59-F70 HydrophobicContact CB-CD2 4.26Å; L59-F70 HydrophobicContact CD2-CD2 4.28Å; L59-F70 PolarHBondContact N-O 3.4Å; L59-F70 VanDerWaalsContact N-O 3.08Å; L59-F70 PolarHBondContact O-N 3.35Å; L59-F290 HydrophobicContact CD2-CE2 3.81Å; L59-F290 HydrophobicContact CD2-CZ 4.45Å; L59-I292 HydrophobicContact CD2-CD1 3.63Å; L59-I292 HydrophobicContact CD2-CG1 4.17Å; L59-V324 HydrophobicContact CD1-CG1 4.46Å; L59-V324 HydrophobicContact CD2-CG2 4.29Å; L59-F326 HydrophobicContact CB-CZ 4.15Å
60	F	94.6	Very high	93.1	Very high	7 Å²	7	13.7 Å²	13.7	3%	0.031	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.3	176	179.2	-107	0	0	0	109.9	F45 E46 I48 F62 A67 L69 V85	F45-F60 CarbonylContact C-O 3.54Å; F45-F60 VanDerWaalsContact CA-O 3.25Å; F45-F60 WeakPolarHBondContact CA-O 3.4Å; E46-F60 PolarHBondContact N-O 3.27Å; E46-F60 PolarHBondContact O-N 3.5Å; I48-F60 HydrophobicContact CD1-CB 3.68Å; I48-F60 HydrophobicContact CD1-CG 4.41Å; I48-F60 HydrophobicContact CG1-CB 3.56Å; F60-F62 HydrophobicContact CD1-CB 4.27Å; F60-F62 HydrophobicContact CE1-CB 3.74Å; F60-F62 AromaticContact CE1-CD2 3.99Å; F60-F62 HydrophobicContact CE1-CD2 3.99Å; F60-F62 HydrophobicContact CE1-CG 4.32Å; F60-F62 HydrophobicContact CZ-CB 4.46Å; F60-F62 HydrophobicContact CZ-CD2 4.18Å; F60-A67 HydrophobicContact CE2-CB 3.59Å; F60-A67 HydrophobicContact CZ-CB 3.57Å; F60-L69 HydrophobicContact CB-CD2 4.09Å; F60-L69 HydrophobicContact CD2-CD2 3.68Å; F60-L69 HydrophobicContact CD2-CG 4.21Å; F60-L69 HydrophobicContact CG-CD2 4.39Å; F60-V85 HydrophobicContact CE1-CG1 4.45Å; F60-V85 HydrophobicContact CE2-CG1 3.65Å; F60-V85 HydrophobicContact CZ-CG1 3.57Å; F60-V85 HydrophobicContact CZ-CG2 4.4Å
61	L	96	Very high	93.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.9	173	173	68.1	0	0	0	109	Y44 F45 A67 Y68 F70 I164 I233 F290 L412	Y44-L61 WeakPolarHBondContact O-CD1 3.06Å; F45-L61 HydrophobicContact CB-CD1 4.29Å; L61-A67 CarbonylContact O-C 3.56Å; L61-A67 WeakPolarHBondContact O-CA 3.49Å; L61-Y68 HydrophobicContact CB-CD2 4.23Å; L61-Y68 HydrophobicContact CD2-CD2 3.78Å; L61-Y68 HydrophobicContact CD2-CE2 4.43Å; L61-Y68 HydrophobicContact CD2-CG 4.29Å; L61-Y68 HydrophobicContact CG-CD2 3.89Å; L61-Y68 PolarHBondContact N-O 3.37Å; L61-Y68 WeakPolarHBondContact O-CD2 3.48Å; L61-Y68 PolarHBondContact O-N 3.45Å; L61-F70 HydrophobicContact CB-CE2 3.92Å; L61-F70 HydrophobicContact CD2-CE2 4.31Å; L61-I164 HydrophobicContact CD2-CD1 4.05Å; L61-I164 HydrophobicContact CD2-CG2 4.33Å; L61-I233 HydrophobicContact CD2-CG2 3.95Å; L61-F290 HydrophobicContact CD1-CE1 3.95Å; L61-F290 HydrophobicContact CD1-CZ 4.17Å; L61-F290 HydrophobicContact CD2-CE1 4.12Å; L61-F290 HydrophobicContact CD2-CZ 4.12Å; L61-L412 HydrophobicContact CD1-CD1 3.84Å
62	F	93.7	Very high	93.4	Very high	47 Å²	47	13.5 Å²	13.5	21%	0.206	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	141.7	177.3	-178.8	-95.4	0	0	0	111.4	A43 Y44 F60 K89	A43-F62 WeakPolarHBondContact CA-O 3.29Å; Y44-F62 HydrophobicContact CD1-CD1 4.14Å; Y44-F62 HydrophobicContact CD2-CB 4.01Å; Y44-F62 HydrophobicContact CE1-CB 4.1Å; Y44-F62 AromaticContact CE1-CD1 3.36Å; Y44-F62 HydrophobicContact CE1-CD1 3.36Å; Y44-F62 HydrophobicContact CE1-CE1 4.07Å; Y44-F62 HydrophobicContact CE1-CG 4.03Å; Y44-F62 HydrophobicContact CE2-CB 3.48Å; Y44-F62 VanDerWaalsContact CE2-CB 3.48Å; Y44-F62 HydrophobicContact CE2-CD1 4.28Å; Y44-F62 HydrophobicContact CE2-CG 4.11Å; Y44-F62 AromaticContact CZ-CD1 3.46Å; Y44-F62 VanDerWaalsContact CZ-CD1 3.46Å; Y44-F62 AromaticContact CZ-CG 3.64Å; Y44-F62 PolarHBondContact N-O 3.42Å; Y44-F62 VanDerWaalsContact N-O 3.11Å; Y44-F62 PolarHBondContact O-N 2.88Å; Y44-F62 WeakPolarHBondContact OH-CD1 3.43Å; F60-F62 HydrophobicContact CD1-CB 4.27Å; F60-F62 HydrophobicContact CE1-CB 3.74Å; F60-F62 AromaticContact CE1-CD2 3.99Å; F60-F62 HydrophobicContact CE1-CD2 3.99Å; F60-F62 HydrophobicContact CE1-CG 4.32Å; F60-F62 HydrophobicContact CZ-CB 4.46Å; F60-F62 HydrophobicContact CZ-CD2 4.18Å; F62-K89 HydrophobicContact CE2-CD 4.17Å
63	T	92.2	Very high	93.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	166.5	165.5	72.2	0	0	0	0	110.8	P40 T42 A43 S65 A66 Y68 N163	P40-T63 HydrophobicContact CB-CG2 4.45Å; P40-T63 HydrophobicContact CG-CG2 4.04Å; T42-T63 VanDerWaalsContact O-CA 3.32Å; T42-T63 WeakPolarHBondContact O-CA 3.46Å; A43-T63 HydrophobicContact CB-CG2 4.39Å; T63-S65 PolarHBondContact O-N 3.44Å; T63-S65 VanDerWaalsContact O-N 3.11Å; T63-A66 WeakPolarHBondContact CA-O 3.22Å; T63-A66 PolarHBondContact N-O 2.98Å; T63-A66 WeakPolarHBondContact OG1-CA 3.46Å; T63-A66 PolarHBondContact OG1-N 3.3Å; T63-A66 PolarHBondContact OG1-O 3.5Å; T63-Y68 HydrophobicContact CG2-CE2 3.93Å; T63-N163 HydrophobicContact CG2-CB 4.08Å
64	T	87	Confident	93.8	Very high	63 Å²	63	13.1 Å²	13.1	39%	0.387	8%	0.079	S	C	.	.	S	Bend	trans	-55.8	-30.8	177.6	-46.5	0	0	0	0	113.1	P41 T42 K89	P41-T64 WeakPolarHBondContact CD-OG1 3.22Å; P41-T64 HydrophobicContact CG-CG2 4.12Å; P41-T64 WeakPolarHBondContact CG-OG1 3.19Å; T42-T64 WeakPolarHBondContact CB-OG1 3.42Å; T42-T64 PolarHBondContact N-OG1 3.42Å; T42-T64 PolarHBondContact O-N 2.82Å; T42-T64 PolarHBondContact O-OG1 2.88Å; T64-K89 PolarHBondContact O-NZ 3.04Å
65	S	85.8	Confident	93.9	Very high	64 Å²	64	12.8 Å²	12.8	45%	0.448	8%	0.076	S	C	.	.	S	Bend	trans	-110.8	-28.3	-175.9	74.5	0	0	0	0	114.8	T63 N163	T63-S65 PolarHBondContact O-N 3.44Å; T63-S65 VanDerWaalsContact O-N 3.11Å; S65-N163 PolarHBondContact OG-ND2 2.88Å; S65-N163 PolarHBondContact OG-OD1 3.25Å
66	A	89.3	Confident	94	Very high	15 Å²	15	11.2 Å²	11.2	12%	0.124	7%	0.07	C	C	.	.			trans	-138.5	166.5	-173.9	0	0	0	0	0	112.6	T63 Y68 N163	T63-A66 WeakPolarHBondContact CA-O 3.22Å; T63-A66 PolarHBondContact N-O 2.98Å; T63-A66 WeakPolarHBondContact OG1-CA 3.46Å; T63-A66 PolarHBondContact OG1-N 3.3Å; T63-A66 PolarHBondContact OG1-O 3.5Å; A66-Y68 HydrophobicContact CB-CE2 3.97Å; A66-Y68 WeakPolarHBondContact CB-OH 3.35Å; A66-N163 WeakPolarHBondContact CB-ND2 3.47Å
67	A	91.8	Very high	93.9	Very high	2 Å²	2	11.5 Å²	11.5	2%	0.017	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.5	173.5	0	0	0	0	0	110.9	F60 L61 K89	F60-A67 HydrophobicContact CE2-CB 3.59Å; F60-A67 HydrophobicContact CZ-CB 3.57Å; L61-A67 CarbonylContact O-C 3.56Å; L61-A67 WeakPolarHBondContact O-CA 3.49Å; A67-K89 HydrophobicContact CB-CB 3.97Å; A67-K89 PolarHBondContact N-O 3.16Å
68	Y	95	Very high	93.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137	-175.1	-43.8	-96.4	0	0	0	109.2	L61 T63 A66 H92 F94 Y159 D161 N163 I164	L61-Y68 HydrophobicContact CB-CD2 4.23Å; L61-Y68 HydrophobicContact CD2-CD2 3.78Å; L61-Y68 HydrophobicContact CD2-CE2 4.43Å; L61-Y68 HydrophobicContact CD2-CG 4.29Å; L61-Y68 HydrophobicContact CG-CD2 3.89Å; L61-Y68 PolarHBondContact N-O 3.37Å; L61-Y68 WeakPolarHBondContact O-CD2 3.48Å; L61-Y68 PolarHBondContact O-N 3.45Å; T63-Y68 HydrophobicContact CG2-CE2 3.93Å; A66-Y68 HydrophobicContact CB-CE2 3.97Å; A66-Y68 WeakPolarHBondContact CB-OH 3.35Å; Y68-H92 WeakPolarHBondContact CA-O 3.05Å; Y68-H92 HydrophobicContact CD1-CB 3.76Å; Y68-H92 HydrophobicContact CE1-CB 4.35Å; Y68-H92 AromaticContact CE1-CD2 3.95Å; Y68-F94 AromaticContact CD1-CE2 3.96Å; Y68-F94 HydrophobicContact CD1-CE2 3.96Å; Y68-Y159 HydrophobicContact CE1-CE1 4.42Å; Y68-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y68-D161 VanDerWaalsContact CZ-OD2 3.29Å; Y68-D161 PolarHBondContact OH-OD1 3.26Å; Y68-D161 PolarHBondContact OH-OD2 3.42Å; Y68-N163 PolarHBondContact OH-ND2 2.87Å; Y68-I164 HydrophobicContact CD1-CD1 3.69Å; Y68-I164 HydrophobicContact CD2-CD1 4.01Å; Y68-I164 HydrophobicContact CE1-CD1 3.5Å; Y68-I164 VanDerWaalsContact CE1-CD1 3.5Å; Y68-I164 HydrophobicContact CE1-CG1 3.99Å; Y68-I164 HydrophobicContact CE2-CD1 3.83Å; Y68-I164 HydrophobicContact CE2-CG1 4.33Å; Y68-I164 HydrophobicContact CE2-CG2 4.48Å; Y68-I164 HydrophobicContact CG-CD1 3.96Å
69	L	96.3	Very high	93.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	145	172.4	-77.7	171.2	0	0	0	110.6	L59 F60 L80 L90 H92 I93 F94 L109	L59-L69 CarbonylContact O-C 3.55Å; L59-L69 WeakPolarHBondContact O-CA 3.49Å; F60-L69 HydrophobicContact CB-CD2 4.09Å; F60-L69 HydrophobicContact CD2-CD2 3.68Å; F60-L69 HydrophobicContact CD2-CG 4.21Å; F60-L69 HydrophobicContact CG-CD2 4.39Å; L69-L80 HydrophobicContact CD1-CD1 3.89Å; L69-L80 HydrophobicContact CD2-CD1 4.4Å; L69-L80 HydrophobicContact CD2-CD2 4.48Å; L69-L90 HydrophobicContact CB-CD1 4.18Å; L69-L90 HydrophobicContact CD1-CD1 3.83Å; L69-L90 HydrophobicContact CD1-CD2 3.47Å; L69-L90 VanDerWaalsContact CD1-CD2 3.47Å; L69-L90 HydrophobicContact CD1-CG 4.28Å; L69-L90 HydrophobicContact CG-CD1 3.7Å; L69-L90 HydrophobicContact CG-CD2 4.22Å; L69-H92 PolarHBondContact N-O 2.54Å; L69-H92 VanDerWaalsContact N-O 3.09Å; L69-I93 HydrophobicContact CB-CG1 4.27Å; L69-I93 HydrophobicContact CB-CG2 4.25Å; L69-I93 CarbonylContact O-C 3.59Å; L69-I93 WeakPolarHBondContact O-CA 3.22Å; L69-F94 PolarHBondContact O-N 2.82Å; L69-L109 HydrophobicContact CD1-CD2 3.85Å
70	F	97.2	Very high	93	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.7	168.7	-59.9	-94.2	0	0	0	108.5	C58 L59 L61 F94 Y231 I233 F290 I292	C58-F70 WeakPolarHBondContact CA-O 3.36Å; L59-F70 HydrophobicContact CB-CB 4.08Å; L59-F70 HydrophobicContact CB-CD2 4.26Å; L59-F70 HydrophobicContact CD2-CD2 4.28Å; L59-F70 PolarHBondContact N-O 3.4Å; L59-F70 VanDerWaalsContact N-O 3.08Å; L59-F70 PolarHBondContact O-N 3.35Å; L61-F70 HydrophobicContact CB-CE2 3.92Å; L61-F70 HydrophobicContact CD2-CE2 4.31Å; F70-F94 CarbonylContact C-O 3.51Å; F70-F94 VanDerWaalsContact CA-O 3.24Å; F70-F94 WeakPolarHBondContact CA-O 3.42Å; F70-F94 HydrophobicContact CD1-CB 3.48Å; F70-F94 VanDerWaalsContact CD1-CB 3.48Å; F70-F94 HydrophobicContact CD1-CD2 4.21Å; F70-F94 HydrophobicContact CD1-CG 4.06Å; F70-F94 HydrophobicContact CE1-CB 3.65Å; F70-F94 HydrophobicContact CE1-CD1 4.46Å; F70-F94 AromaticContact CE1-CD2 3.74Å; F70-F94 HydrophobicContact CE1-CD2 3.74Å; F70-F94 AromaticContact CE1-CG 3.72Å; F70-F94 HydrophobicContact CE1-CG 3.72Å; F70-F94 HydrophobicContact CG-CB 4.37Å; F70-F94 AromaticContact CZ-CD2 3.99Å; F70-F94 HydrophobicContact CZ-CD2 3.99Å; F70-F94 HydrophobicContact CZ-CE2 4.46Å; F70-F94 HydrophobicContact CZ-CG 4.4Å; F70-Y231 HydrophobicContact CD1-CD2 4.24Å; F70-Y231 HydrophobicContact CE1-CD2 4.4Å; F70-Y231 HydrophobicContact CE1-CG 4.48Å; F70-I233 HydrophobicContact CE1-CD1 4.16Å; F70-I233 HydrophobicContact CE1-CG1 4.22Å; F70-I233 HydrophobicContact CZ-CD1 4.14Å; F70-I233 HydrophobicContact CZ-CG1 3.87Å; F70-F290 HydrophobicContact CE2-CZ 4.48Å; F70-I292 HydrophobicContact CB-CD1 3.84Å; F70-I292 HydrophobicContact CD1-CD1 3.24Å; F70-I292 HydrophobicContact CD2-CD1 3.58Å; F70-I292 HydrophobicContact CE1-CD1 3.58Å; F70-I292 HydrophobicContact CE2-CD1 3.9Å; F70-I292 HydrophobicContact CG-CD1 3.24Å; F70-I292 HydrophobicContact CZ-CD1 3.9Å
71	N	97.4	Very high	92.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.082	C	C	.	.			trans	58.9	159.1	-167	-62	-17.6	0	0	0	114.7	R57 C58 F94 F95 T96 N102 F326	R57-N71 VanDerWaalsContact O-CB 3.24Å; R57-N71 WeakPolarHBondContact O-CB 3.44Å; C58-N71 PolarHBondContact SG-O 3.1Å; N71-F94 PolarHBondContact N-O 2.91Å; N71-F95 WeakPolarHBondContact OD1-CA 3.43Å; N71-T96 PolarHBondContact ND2-OG1 3.15Å; N71-T96 PolarHBondContact OD1-N 3.2Å; N71-T96 PolarHBondContact OD1-OG1 2.77Å; N71-T96 VanDerWaalsContact OD1-OG1 3.09Å; N71-N102 HydrophobicContact CB-CB 4.08Å; N71-N102 VanDerWaalsContact CG-CG 3.44Å; N71-N102 PolarHBondContact ND2-ND2 3.07Å; N71-N102 PolarHBondContact ND2-OD1 2.64Å; N71-F326 HydrophobicContact CB-CE2 4.38Å; N71-F326 VanDerWaalsContact ND2-CD2 3.26Å; N71-F326 WeakPolarHBondContact ND2-CD2 3.11Å; N71-F326 VanDerWaalsContact ND2-CE2 3.26Å; N71-F326 WeakPolarHBondContact ND2-CE2 3.5Å
72	V	96.4	Very high	91.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.086	C	C	.	.			trans	-141.5	72.4	179.2	-167	0	0	0	0	109.5	T76 I93 F95 N102 I103 G104 G105 L106 L109	V72-T76 HydrophobicContact CG1-CG2 4.01Å; V72-I93 HydrophobicContact CG2-CD1 4.05Å; V72-I93 HydrophobicContact CG2-CG2 3.52Å; V72-F95 HydrophobicContact CB-CE1 4.23Å; V72-F95 HydrophobicContact CG2-CE1 3.93Å; V72-F95 HydrophobicContact CG2-CZ 4.21Å; V72-N102 CarbonylContact C-O 3.57Å; V72-N102 PolarHBondContact N-O 3.3Å; V72-I103 CarbonylContact O-C 3.6Å; V72-I103 VanDerWaalsContact O-C 3.27Å; V72-G104 PolarHBondContact O-N 3.01Å; V72-G105 WeakPolarHBondContact O-CA 3.36Å; V72-G105 PolarHBondContact O-N 3.11Å; V72-L106 HydrophobicContact CG2-CD1 4.44Å; V72-L109 HydrophobicContact CG1-CB 4.07Å; V72-L109 HydrophobicContact CG1-CD2 3.75Å; V72-L109 HydrophobicContact CG2-CD2 3.99Å
73	P	96.2	Very high	91.1	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.026	9%	0.09	C	C	.	.			trans	-61.7	164.7	167	25.3	-33.9	0	0	0	112	Q49 R57 C58 T76 D101 G105	Q49-P73 HydrophobicContact CG-CG 4.42Å; R57-P73 WeakPolarHBondContact O-CD 3.36Å; C58-P73 HydrophobicContact CB-CG 3.94Å; P73-T76 WeakPolarHBondContact O-CB 3.38Å; P73-T76 PolarHBondContact O-N 3.08Å; P73-T76 PolarHBondContact O-OG1 3.23Å; P73-D101 WeakPolarHBondContact CB-O 3.46Å; P73-G105 WeakPolarHBondContact O-CA 3.35Å
74	E	95.4	Very high	90	Very high	7 Å²	7	17.4 Å²	17.4	3%	0.033	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	147.7	173.4	-71.8	-168.6	-172.7	0	0	112.1	Q49 T76 E501 S502 Q505 T541	Q49-E74 PolarHBondContact NE2-O 2.78Å; E74-T76 PolarHBondContact O-N 2.81Å; E74-E501 HydrophobicContact CB-CG 3.98Å; E74-E501 HydrophobicContact CG-CG 3.91Å; E74-S502 WeakPolarHBondContact OE2-CA 3.5Å; E74-S502 PolarHBondContact OE2-N 3.33Å; E74-Q505 VanDerWaalsContact C-NE2 3.32Å; E74-Q505 PolarHBondContact O-NE2 2.92Å; E74-T541 WeakPolarHBondContact OE1-CB 3.44Å; E74-T541 PolarHBondContact OE1-OG1 2.68Å
75	G	93	Very high	89.2	Confident	2 Å²	2	15.6 Å²	15.6	2%	0.021	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	-4.3	177.1	0	0	0	0	0	114.1	E77 R78 L79 E501 S502	G75-E77 VanDerWaalsContact C-N 3.35Å; G75-E77 PolarHBondContact O-N 2.98Å; G75-R78 PolarHBondContact O-N 3.43Å; G75-L79 WeakPolarHBondContact O-CG 3.21Å; G75-L79 PolarHBondContact O-N 3.26Å; G75-L79 VanDerWaalsContact O-N 3.09Å; G75-E501 PolarHBondContact N-OE1 2.76Å; G75-S502 WeakPolarHBondContact CA-OG 3.19Å; G75-S502 PolarHBondContact N-OG 3.09Å; G75-S502 VanDerWaalsContact N-OG 3.09Å
76	T	94.7	Very high	88.4	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.2	-44.4	178	-62.6	0	0	0	0	111.6	Q49 V72 P73 E74 R78 L79 L80	Q49-T76 PolarHBondContact NE2-OG1 3.45Å; Q49-T76 VanDerWaalsContact NE2-OG1 3.17Å; V72-T76 HydrophobicContact CG1-CG2 4.01Å; P73-T76 WeakPolarHBondContact O-CB 3.38Å; P73-T76 PolarHBondContact O-N 3.08Å; P73-T76 PolarHBondContact O-OG1 3.23Å; E74-T76 PolarHBondContact O-N 2.81Å; T76-R78 VanDerWaalsContact C-N 3.33Å; T76-R78 PolarHBondContact O-N 2.65Å; T76-L79 PolarHBondContact O-N 3.46Å; T76-L80 HydrophobicContact CG2-CD1 3.8Å; T76-L80 HydrophobicContact CG2-CG 4.19Å; T76-L80 VanDerWaalsContact O-CG 3.23Å; T76-L80 WeakPolarHBondContact O-CG 3.46Å; T76-L80 PolarHBondContact O-N 3Å
77	E	90.4	Very high	87.6	Confident	18 Å²	18	23.3 Å²	23.3	8%	0.084	12%	0.119	C	C	.	.	H	α-helix	trans	-57.9	-46.7	178.7	-171.3	-80.6	159.6	0	0	111.8	G75 L79 L80 S81 Y87 L109 P476	G75-E77 VanDerWaalsContact C-N 3.35Å; G75-E77 PolarHBondContact O-N 2.98Å; E77-L79 PolarHBondContact O-N 3.19Å; E77-L80 PolarHBondContact O-N 3.45Å; E77-S81 WeakPolarHBondContact O-CB 3.39Å; E77-S81 PolarHBondContact O-N 3.34Å; E77-Y87 PolarHBondContact OE1-OH 2.7Å; E77-Y87 VanDerWaalsContact OE1-OH 3.13Å; E77-L109 HydrophobicContact CB-CB 4.39Å; E77-L109 HydrophobicContact CB-CD1 4.39Å; E77-L109 HydrophobicContact CG-CD1 4.43Å; E77-P476 WeakPolarHBondContact OE2-CG 3.47Å
78	R	90.4	Very high	86.6	Confident	13 Å²	13	25.8 Å²	25.8	5%	0.049	14%	0.144	C	C	.	.	H	α-helix	trans	-61.4	-45.2	-179.7	-173.1	178.9	-174.9	-90.6	7.3	111.9	G75 T76 S81 E82 S364 P476 V477 R478 T479	G75-R78 PolarHBondContact O-N 3.43Å; T76-R78 VanDerWaalsContact C-N 3.33Å; T76-R78 PolarHBondContact O-N 2.65Å; R78-S81 PolarHBondContact O-N 3.19Å; R78-E82 PolarHBondContact O-N 3.43Å; R78-S364 PolarHBondContact NH1-OG 2.89Å; R78-P476 HydrophobicContact CB-CB 4.13Å; R78-P476 HydrophobicContact CB-CG 3.87Å; R78-P476 HydrophobicContact CG-CB 3.89Å; R78-P476 HydrophobicContact CG-CG 4.17Å; R78-V477 PolarHBondContact NE-O 3.34Å; R78-V477 PolarHBondContact NH2-O 2.95Å; R78-R478 VanDerWaalsContact CZ-O 3.24Å; R78-R478 PolarHBondContact NH1-O 3.4Å; R78-R478 PolarHBondContact NH2-O 3.39Å; R78-T479 PolarHBondContact NH2-O 2.87Å
79	L	91.4	Very high	86	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-65.7	-42.2	178.7	-67.3	173.8	0	0	0	111.8	I48 Q49 G75 T76 E77 S81 E82 H83 H363 W407	I48-L79 HydrophobicContact CG2-CB 4.09Å; I48-L79 HydrophobicContact CG2-CD1 4.12Å; Q49-L79 HydrophobicContact CG-CD1 3.61Å; G75-L79 WeakPolarHBondContact O-CG 3.21Å; G75-L79 PolarHBondContact O-N 3.26Å; G75-L79 VanDerWaalsContact O-N 3.09Å; T76-L79 PolarHBondContact O-N 3.46Å; E77-L79 PolarHBondContact O-N 3.19Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 3.14Å; L79-E82 PolarHBondContact O-N 3.48Å; L79-H83 PolarHBondContact O-CD2 3.19Å; L79-H83 PolarHBondContact O-N 3.34Å; L79-H83 VanDerWaalsContact O-N 3.16Å; L79-H363 HydrophobicContact CD1-CB 4.27Å; L79-H363 HydrophobicContact CD2-CB 3.84Å; L79-W407 HydrophobicContact CB-CH2 4.12Å; L79-W407 HydrophobicContact CB-CZ2 4.34Å; L79-W407 HydrophobicContact CD2-CZ2 4.23Å
80	L	88.7	Confident	85.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-39.3	176.5	-66.5	175.7	0	0	0	112	I48 L69 T76 E77 G84 V85 L109	I48-L80 HydrophobicContact CD1-CD2 4.29Å; I48-L80 HydrophobicContact CG1-CD2 4.46Å; L69-L80 HydrophobicContact CD1-CD1 3.89Å; L69-L80 HydrophobicContact CD2-CD1 4.4Å; L69-L80 HydrophobicContact CD2-CD2 4.48Å; T76-L80 HydrophobicContact CG2-CD1 3.8Å; T76-L80 HydrophobicContact CG2-CG 4.19Å; T76-L80 VanDerWaalsContact O-CG 3.23Å; T76-L80 WeakPolarHBondContact O-CG 3.46Å; T76-L80 PolarHBondContact O-N 3Å; E77-L80 PolarHBondContact O-N 3.45Å; L80-G84 PolarHBondContact O-N 2.97Å; L80-V85 HydrophobicContact CB-CB 4.16Å; L80-V85 HydrophobicContact CB-CG2 4.41Å; L80-V85 HydrophobicContact CD2-CB 4.1Å; L80-V85 HydrophobicContact CD2-CG1 4.25Å; L80-V85 HydrophobicContact CD2-CG2 3.74Å; L80-V85 PolarHBondContact O-N 2.92Å; L80-L109 HydrophobicContact CD1-CD1 4.07Å
81	S	83.4	Confident	85	Confident	43 Å²	43	33 Å²	33	30%	0.301	18%	0.177	S	C	.	.	H	α-helix	trans	-65.9	-41.1	176.9	-178.2	0	0	0	0	112.7	E77 R78 L79 G84	E77-S81 WeakPolarHBondContact O-CB 3.39Å; E77-S81 PolarHBondContact O-N 3.34Å; R78-S81 PolarHBondContact O-N 3.19Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 3.14Å; S81-G84 PolarHBondContact O-N 3.16Å
82	E	83	Confident	84.9	Confident	20 Å²	20	33.7 Å²	33.7	9%	0.093	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-46.4	175.1	-177.6	176.4	169.4	0	0	112	R78 L79 G84 S364 E365 A366 R478	R78-E82 PolarHBondContact O-N 3.43Å; L79-E82 PolarHBondContact O-N 3.48Å; E82-G84 VanDerWaalsContact C-N 3.28Å; E82-G84 PolarHBondContact O-N 2.9Å; E82-S364 PolarHBondContact OE1-OG 2.63Å; E82-S364 WeakPolarHBondContact OE2-CA 3.42Å; E82-S364 WeakPolarHBondContact OE2-CB 3.2Å; E82-S364 PolarHBondContact OE2-OG 2.83Å; E82-E365 PolarHBondContact OE1-N 3.4Å; E82-A366 HydrophobicContact CG-CB 4.42Å; E82-A366 WeakPolarHBondContact OE1-CB 3.33Å; E82-A366 PolarHBondContact OE1-N 3.2Å; E82-R478 HydrophobicContact CB-CB 4.5Å; E82-R478 HydrophobicContact CB-CG 4.16Å; E82-R478 HydrophobicContact CG-CB 4.35Å; E82-R478 HydrophobicContact CG-CG 4.31Å; E82-R478 PolarHBondContact O-NH2 3.34Å
83	H	77.4	Confident	84.8	Confident	63 Å²	63	33.7 Å²	33.7	29%	0.292	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	8.1	-176.2	-72.3	-97	0	0	0	114.3	L79 V85 W407	L79-H83 PolarHBondContact O-CD2 3.19Å; L79-H83 PolarHBondContact O-N 3.34Å; L79-H83 VanDerWaalsContact O-N 3.16Å; H83-V85 VanDerWaalsContact C-N 3.33Å; H83-V85 PolarHBondContact O-N 3.45Å; H83-W407 HydrophobicContact CB-CH2 4.06Å; H83-W407 HydrophobicContact CB-CZ3 4.02Å; H83-W407 AromaticContact CD2-CE2 3.82Å; H83-W407 AromaticContact CD2-CH2 3.15Å; H83-W407 WeakPolarHBondContact CD2-CH2 3.29Å; H83-W407 AromaticContact CD2-CZ2 3.16Å; H83-W407 WeakPolarHBondContact CD2-CZ2 3.46Å; H83-W407 AromaticContact CD2-CZ3 3.84Å; H83-W407 AromaticContact CE1-CD2 3.74Å; H83-W407 AromaticContact CE1-CE2 3.44Å; H83-W407 VanDerWaalsContact CE1-CE2 3.44Å; H83-W407 AromaticContact CE1-CZ2 3.63Å; H83-W407 AromaticContact CE1-NE1 3.76Å; H83-W407 AromaticContact CG-CH2 3.45Å; H83-W407 VanDerWaalsContact CG-CH2 3.45Å; H83-W407 AromaticContact CG-CZ2 3.8Å; H83-W407 AromaticContact CG-CZ3 3.63Å; H83-W407 AromaticContact ND1-CE3 3.97Å; H83-W407 AromaticContact ND1-CH2 3.99Å; H83-W407 AromaticContact ND1-CZ3 3.93Å; H83-W407 AromaticContact NE2-CE2 3.3Å; H83-W407 VanDerWaalsContact NE2-CE2 3.3Å; H83-W407 AromaticContact NE2-CH2 3.6Å; H83-W407 AromaticContact NE2-CZ2 3.07Å; H83-W407 WeakPolarHBondContact NE2-CZ2 3.29Å; H83-W407 AromaticContact NE2-NE1 3.7Å
84	G	70.3	Confident	84.8	Confident	48 Å²	48	33.5 Å²	33.5	50%	0.495	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	26.2	171	0	0	0	0	0	114.4	L80 S81 E82 R86	L80-G84 PolarHBondContact O-N 2.97Å; S81-G84 PolarHBondContact O-N 3.16Å; E82-G84 VanDerWaalsContact C-N 3.28Å; E82-G84 PolarHBondContact O-N 2.9Å; G84-R86 PolarHBondContact O-N 3.3Å
85	V	70.1	Confident	84.8	Confident	24 Å²	24	33.2 Å²	33.2	15%	0.145	18%	0.178	C	C	.	.			trans	-63.1	120.6	175.1	177.3	0	0	0	0	109	F60 L80 H83 Y87	F60-V85 HydrophobicContact CE1-CG1 4.45Å; F60-V85 HydrophobicContact CE2-CG1 3.65Å; F60-V85 HydrophobicContact CZ-CG1 3.57Å; F60-V85 HydrophobicContact CZ-CG2 4.4Å; L80-V85 HydrophobicContact CB-CB 4.16Å; L80-V85 HydrophobicContact CB-CG2 4.41Å; L80-V85 HydrophobicContact CD2-CB 4.1Å; L80-V85 HydrophobicContact CD2-CG1 4.25Å; L80-V85 HydrophobicContact CD2-CG2 3.74Å; L80-V85 PolarHBondContact O-N 2.92Å; H83-V85 VanDerWaalsContact C-N 3.33Å; H83-V85 PolarHBondContact O-N 3.45Å; V85-Y87 PolarHBondContact O-N 3.46Å
86	R	68.1	Low	84.9	Confident	208 Å²	208	33.1 Å²	33.1	79%	0.785	18%	0.177	S	C	*	.			trans	-77.5	107.3	-179.5	-63.3	-174.1	-172.1	-177	3	110	G84 G88 K89	G84-R86 PolarHBondContact O-N 3.3Å; R86-G88 PolarHBondContact O-N 2.81Å; R86-K89 PolarHBondContact O-N 2.91Å; R86-K89 VanDerWaalsContact O-N 3.16Å
87	Y	73	Confident	84.7	Confident	34 Å²	34	34.6 Å²	34.6	13%	0.133	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-50.2	-29.2	176.2	-63.1	-63.3	0	0	0	114.3	E77 V85 K89 L90 L109 L113 A116	E77-Y87 PolarHBondContact OE1-OH 2.7Å; E77-Y87 VanDerWaalsContact OE1-OH 3.13Å; V85-Y87 PolarHBondContact O-N 3.46Å; Y87-K89 PolarHBondContact O-N 3.21Å; Y87-L90 PolarHBondContact O-N 3.4Å; Y87-L109 HydrophobicContact CE1-CD1 4.15Å; Y87-L113 HydrophobicContact CD1-CD2 3.45Å; Y87-L113 VanDerWaalsContact CD1-CD2 3.45Å; Y87-L113 HydrophobicContact CD1-CG 4.36Å; Y87-L113 HydrophobicContact CE1-CD2 4.32Å; Y87-L113 HydrophobicContact CG-CD2 3.92Å; Y87-A116 HydrophobicContact CD2-CB 3.55Å; Y87-A116 HydrophobicContact CE2-CB 4.39Å; Y87-A116 HydrophobicContact CG-CB 4.01Å
88	G	71.8	Confident	84.6	Confident	54 Å²	54	34.2 Å²	34.2	56%	0.557	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-56.2	-21.5	179.2	0	0	0	0	0	115.7	R86	R86-G88 PolarHBondContact O-N 2.81Å
89	K	81.5	Confident	84.5	Confident	61 Å²	61	34 Å²	34	27%	0.265	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-97.4	-14.3	177.1	-70.5	-175.3	166.6	-169.8	0	113.9	F62 T64 A67 R86 Y87 Q91	F62-K89 HydrophobicContact CE2-CD 4.17Å; T64-K89 PolarHBondContact O-NZ 3.04Å; A67-K89 HydrophobicContact CB-CB 3.97Å; A67-K89 PolarHBondContact N-O 3.16Å; R86-K89 PolarHBondContact O-N 2.91Å; R86-K89 VanDerWaalsContact O-N 3.16Å; Y87-K89 PolarHBondContact O-N 3.21Å; K89-Q91 PolarHBondContact O-N 3.25Å
90	L	87.9	Confident	84.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	101.5	-175.7	177.7	62.7	0	0	0	109.2	L69 Y87 L113	L69-L90 HydrophobicContact CB-CD1 4.18Å; L69-L90 HydrophobicContact CD1-CD1 3.83Å; L69-L90 HydrophobicContact CD1-CD2 3.47Å; L69-L90 VanDerWaalsContact CD1-CD2 3.47Å; L69-L90 HydrophobicContact CD1-CG 4.28Å; L69-L90 HydrophobicContact CG-CD1 3.7Å; L69-L90 HydrophobicContact CG-CD2 4.22Å; Y87-L90 PolarHBondContact O-N 3.4Å; L90-L113 HydrophobicContact CD2-CD2 4.34Å
91	Q	85.7	Confident	84.7	Confident	91 Å²	91	37.2 Å²	37.2	43%	0.425	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-11.7	179.1	-68.4	-177.8	-17.8	0	0	112.9	K89 H122	K89-Q91 PolarHBondContact O-N 3.25Å; Q91-H122 WeakPolarHBondContact O-CB 3.49Å; Q91-H122 PolarHBondContact O-N 3.17Å
92	H	93.5	Very high	85.3	Confident	13 Å²	13	35.2 Å²	35.2	6%	0.06	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.9	-173.4	-60.5	-78	0	0	0	111.2	Y68 L69 F94 H122 H124 Y159	Y68-H92 WeakPolarHBondContact CA-O 3.05Å; Y68-H92 HydrophobicContact CD1-CB 3.76Å; Y68-H92 HydrophobicContact CE1-CB 4.35Å; Y68-H92 AromaticContact CE1-CD2 3.95Å; L69-H92 PolarHBondContact N-O 2.54Å; L69-H92 VanDerWaalsContact N-O 3.09Å; H92-F94 HydrophobicContact CB-CE2 3.88Å; H92-F94 HydrophobicContact CB-CZ 4.37Å; H92-H122 WeakPolarHBondContact CA-O 3.1Å; H92-H122 AromaticContact CE1-CD2 3.79Å; H92-H122 AromaticContact CE1-CG 3.56Å; H92-H122 AromaticContact CE1-ND1 3.97Å; H92-H122 VanDerWaalsContact ND1-CB 3.28Å; H92-H122 WeakPolarHBondContact ND1-CB 3.45Å; H92-H122 AromaticContact ND1-CG 3.67Å; H92-H124 AromaticContact CG-NE2 3.89Å; H92-H124 AromaticContact ND1-NE2 3.26Å; H92-H124 PolarHBondContact ND1-NE2 3.43Å; H92-Y159 PolarHBondContact CD2-OH 3.2Å; H92-Y159 AromaticContact CE1-CE2 3.71Å; H92-Y159 AromaticContact CE1-CZ 3.5Å; H92-Y159 PolarHBondContact CE1-OH 2.82Å; H92-Y159 AromaticContact ND1-CE2 3.88Å; H92-Y159 AromaticContact ND1-CZ 3.65Å; H92-Y159 PolarHBondContact ND1-OH 3.22Å; H92-Y159 AromaticContact NE2-CZ 3.89Å; H92-Y159 PolarHBondContact NE2-OH 3.16Å
93	I	95.3	Very high	85.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.6	175.1	-53.5	-177.9	0	0	0	108	L69 V72 F95 L106 L109 L121 H122 L123 H124	L69-I93 HydrophobicContact CB-CG1 4.27Å; L69-I93 HydrophobicContact CB-CG2 4.25Å; L69-I93 CarbonylContact O-C 3.59Å; L69-I93 WeakPolarHBondContact O-CA 3.22Å; V72-I93 HydrophobicContact CG2-CD1 4.05Å; V72-I93 HydrophobicContact CG2-CG2 3.52Å; I93-F95 HydrophobicContact CB-CE2 4.46Å; I93-F95 HydrophobicContact CB-CZ 4.43Å; I93-F95 HydrophobicContact CG2-CD1 4.48Å; I93-F95 HydrophobicContact CG2-CD2 4.48Å; I93-F95 HydrophobicContact CG2-CE1 3.86Å; I93-F95 HydrophobicContact CG2-CE2 3.87Å; I93-F95 HydrophobicContact CG2-CZ 3.51Å; I93-L106 HydrophobicContact CD1-CD1 4.04Å; I93-L109 HydrophobicContact CD1-CD2 3.66Å; I93-L121 HydrophobicContact CD1-CD1 3.93Å; I93-L121 HydrophobicContact CD1-CD2 4.08Å; I93-L121 HydrophobicContact CD1-CG 4.39Å; I93-L121 HydrophobicContact CG1-CD1 4.01Å; I93-H122 PolarHBondContact N-O 2.89Å; I93-L123 HydrophobicContact CB-CD2 3.96Å; I93-L123 HydrophobicContact CD1-CD2 4.08Å; I93-L123 HydrophobicContact CG1-CD2 4.28Å; I93-H124 PolarHBondContact O-CD2 2.93Å; I93-H124 PolarHBondContact O-N 2.88Å
94	F	96.2	Very high	86.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.7	179.4	-60.4	-98.9	0	0	0	109.6	Y68 L69 F70 N71 H92 H124 Y159 V166 Y168 Y231	Y68-F94 AromaticContact CD1-CE2 3.96Å; Y68-F94 HydrophobicContact CD1-CE2 3.96Å; L69-F94 PolarHBondContact O-N 2.82Å; F70-F94 CarbonylContact C-O 3.51Å; F70-F94 VanDerWaalsContact CA-O 3.24Å; F70-F94 WeakPolarHBondContact CA-O 3.42Å; F70-F94 HydrophobicContact CD1-CB 3.48Å; F70-F94 VanDerWaalsContact CD1-CB 3.48Å; F70-F94 HydrophobicContact CD1-CD2 4.21Å; F70-F94 HydrophobicContact CD1-CG 4.06Å; F70-F94 HydrophobicContact CE1-CB 3.65Å; F70-F94 HydrophobicContact CE1-CD1 4.46Å; F70-F94 AromaticContact CE1-CD2 3.74Å; F70-F94 HydrophobicContact CE1-CD2 3.74Å; F70-F94 AromaticContact CE1-CG 3.72Å; F70-F94 HydrophobicContact CE1-CG 3.72Å; F70-F94 HydrophobicContact CG-CB 4.37Å; F70-F94 AromaticContact CZ-CD2 3.99Å; F70-F94 HydrophobicContact CZ-CD2 3.99Å; F70-F94 HydrophobicContact CZ-CE2 4.46Å; F70-F94 HydrophobicContact CZ-CG 4.4Å; N71-F94 PolarHBondContact N-O 2.91Å; H92-F94 HydrophobicContact CB-CE2 3.88Å; H92-F94 HydrophobicContact CB-CZ 4.37Å; F94-H124 HydrophobicContact CB-CB 4.39Å; F94-H124 HydrophobicContact CD1-CB 3.45Å; F94-H124 VanDerWaalsContact CD1-CB 3.45Å; F94-H124 AromaticContact CD1-CD2 3.65Å; F94-H124 AromaticContact CD1-CG 3.66Å; F94-H124 HydrophobicContact CE1-CB 3.91Å; F94-H124 AromaticContact CE1-CD2 3.42Å; F94-H124 VanDerWaalsContact CE1-CD2 3.42Å; F94-H124 WeakPolarHBondContact CE1-CD2 3.3Å; F94-H124 AromaticContact CE1-CG 3.59Å; F94-H124 AromaticContact CE1-NE2 3.73Å; F94-H124 AromaticContact CE2-CD2 3.91Å; F94-H124 HydrophobicContact CG-CB 4.04Å; F94-H124 AromaticContact CG-CD2 3.99Å; F94-H124 AromaticContact CZ-CD2 3.54Å; F94-H124 AromaticContact CZ-NE2 3.59Å; F94-Y159 HydrophobicContact CE1-CD1 4.27Å; F94-Y159 AromaticContact CZ-CD1 3.82Å; F94-Y159 HydrophobicContact CZ-CD1 3.82Å; F94-Y159 HydrophobicContact CZ-CE1 4.2Å; F94-Y159 HydrophobicContact CZ-CG 4.47Å; F94-V166 HydrophobicContact CD1-CG1 4.16Å; F94-V166 HydrophobicContact CE1-CB 4.07Å; F94-V166 HydrophobicContact CE1-CG1 3.8Å; F94-V166 HydrophobicContact CE1-CG2 4.03Å; F94-V166 HydrophobicContact CZ-CB 4.43Å; F94-V166 HydrophobicContact CZ-CG1 4.49Å; F94-V166 HydrophobicContact CZ-CG2 3.9Å; F94-Y168 WeakPolarHBondContact CE1-OH 3.09Å; F94-Y231 HydrophobicContact CB-CD2 4.49Å; F94-Y231 HydrophobicContact CB-CE1 4.45Å; F94-Y231 HydrophobicContact CB-CE2 4.01Å; F94-Y231 HydrophobicContact CD1-CD1 4.37Å; F94-Y231 HydrophobicContact CD1-CE1 4.03Å
95	F	95.4	Very high	87.7	Confident	1 Å²	1	29.2 Å²	29.2	0%	0.004	15%	0.147	C	C	.	.			trans	-106.6	124.9	178.3	-62.7	-73.9	0	0	0	110.5	N71 V72 I93 N102 I103 L106 L123 H124 I126 I129 Y231	N71-F95 WeakPolarHBondContact OD1-CA 3.43Å; V72-F95 HydrophobicContact CB-CE1 4.23Å; V72-F95 HydrophobicContact CG2-CE1 3.93Å; V72-F95 HydrophobicContact CG2-CZ 4.21Å; I93-F95 HydrophobicContact CB-CE2 4.46Å; I93-F95 HydrophobicContact CB-CZ 4.43Å; I93-F95 HydrophobicContact CG2-CD1 4.48Å; I93-F95 HydrophobicContact CG2-CD2 4.48Å; I93-F95 HydrophobicContact CG2-CE1 3.86Å; I93-F95 HydrophobicContact CG2-CE2 3.87Å; I93-F95 HydrophobicContact CG2-CZ 3.51Å; F95-N102 WeakPolarHBondContact CD1-O 3.39Å; F95-N102 VanDerWaalsContact CE1-O 3.3Å; F95-N102 WeakPolarHBondContact CE1-O 3.12Å; F95-I103 HydrophobicContact CD1-CG2 3.67Å; F95-I103 HydrophobicContact CE1-CB 4.35Å; F95-I103 HydrophobicContact CE1-CG2 3.7Å; F95-I103 HydrophobicContact CG-CG2 4.25Å; F95-I103 HydrophobicContact CZ-CG2 4.29Å; F95-L106 HydrophobicContact CE2-CD2 4.35Å; F95-L106 HydrophobicContact CZ-CD1 4.16Å; F95-L106 HydrophobicContact CZ-CD2 3.82Å; F95-L106 HydrophobicContact CZ-CG 4.49Å; F95-L123 HydrophobicContact CE2-CB 4.29Å; F95-L123 HydrophobicContact CE2-CD2 4.12Å; F95-H124 WeakPolarHBondContact CD2-O 3.11Å; F95-H124 PolarHBondContact N-O 3.14Å; F95-I126 HydrophobicContact CB-CD1 3.33Å; F95-I126 HydrophobicContact CB-CG1 3.69Å; F95-I126 HydrophobicContact CD1-CD1 4.14Å; F95-I126 HydrophobicContact CD2-CD1 3.76Å; F95-I126 HydrophobicContact CD2-CG1 4.29Å; F95-I126 HydrophobicContact CG-CD1 3.48Å; F95-I126 VanDerWaalsContact CG-CD1 3.48Å; F95-I126 HydrophobicContact CG-CG1 4.21Å; F95-I129 HydrophobicContact CD2-CD1 4.37Å; F95-I129 HydrophobicContact CE2-CD1 3.88Å; F95-I129 HydrophobicContact CZ-CD1 4.16Å; F95-Y231 PolarHBondContact O-OH 3.08Å
96	T	94.4	Very high	88.8	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-75.1	-28.2	176.9	44.8	0	0	0	0	111.7	N71 N102 N228 Y229 Y231 I292 E294 F326	N71-T96 PolarHBondContact ND2-OG1 3.15Å; N71-T96 PolarHBondContact OD1-N 3.2Å; N71-T96 PolarHBondContact OD1-OG1 2.77Å; N71-T96 VanDerWaalsContact OD1-OG1 3.09Å; T96-N102 PolarHBondContact OG1-ND2 2.83Å; T96-N228 CarbonylContact O-C 3.59Å; T96-N228 WeakPolarHBondContact O-CA 3.4Å; T96-N228 PolarHBondContact O-OD1 2.93Å; T96-Y229 PolarHBondContact O-N 3Å; T96-Y231 HydrophobicContact CG2-CD2 3.96Å; T96-Y231 HydrophobicContact CG2-CE2 3.87Å; T96-I292 HydrophobicContact CG2-CG2 3.8Å; T96-E294 VanDerWaalsContact CB-OE2 3.28Å; T96-E294 WeakPolarHBondContact CB-OE2 3.33Å; T96-E294 HydrophobicContact CG2-CB 4.46Å; T96-E294 PolarHBondContact OG1-OE2 3.5Å; T96-F326 HydrophobicContact CG2-CD2 4.31Å
97	R	90.6	Very high	89.8	Confident	31 Å²	31	18.6 Å²	18.6	12%	0.117	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-146.9	143.1	176	-165.4	176.9	68.7	-177.1	-0.7	112.2	S99 D101 N102 A227 E294	R97-S99 PolarHBondContact NE-OG 2.73Å; R97-S99 PolarHBondContact NH2-OG 3.23Å; R97-S99 PolarHBondContact O-N 3.03Å; R97-D101 IonicContact NH2-OD2 3.75Å; R97-N102 WeakPolarHBondContact CB-ND2 3.49Å; R97-N102 PolarHBondContact N-ND2 3.18Å; R97-N102 PolarHBondContact O-ND2 3.44Å; R97-A227 VanDerWaalsContact CA-O 3.31Å; R97-A227 WeakPolarHBondContact CA-O 3.26Å; R97-E294 IonicContact CZ-OE1 3.07Å; R97-E294 IonicContact NE-OE1 3.03Å; R97-E294 PolarHBondContact NE-OE1 3.12Å; R97-E294 IonicContact NH1-OE1 3.16Å; R97-E294 IonicContact NH2-OE1 2.65Å
98	G	88.3	Confident	90.6	Very high	11 Å²	11	17.5 Å²	17.5	11%	0.113	10%	0.104	C	C	.	.	S	Bend	trans	-71.4	57.3	167.5	0	0	0	0	0	113.6	A227 Y578	G98-A227 PolarHBondContact N-O 2.86Å; G98-Y578 WeakPolarHBondContact O-CD1 3.39Å
99	S	89.7	Confident	91.4	Very high	8 Å²	8	14.9 Å²	14.9	6%	0.056	8%	0.077	C	C	.	.	S	Bend	trans	-124.7	153.4	177.8	58.6	0	0	0	0	112	R97 D101 N102 I103	R97-S99 PolarHBondContact NE-OG 2.73Å; R97-S99 PolarHBondContact NH2-OG 3.23Å; R97-S99 PolarHBondContact O-N 3.03Å; S99-D101 VanDerWaalsContact C-N 3.28Å; S99-D101 PolarHBondContact O-N 3.38Å; S99-N102 PolarHBondContact O-N 3.3Å; S99-I103 PolarHBondContact O-N 2.89Å
100	W	92.5	Very high	91.7	Very high	9 Å²	9	12.1 Å²	12.1	3%	0.034	7%	0.065	C	C	.	.	H	α-helix	trans	-54.2	-40.2	179.4	-167.8	-106.2	0	0	0	114.1	N102 I103 G104 M132 A540 T541 L544 F575 Y578 V579	W100-N102 PolarHBondContact O-N 3.2Å; W100-I103 HydrophobicContact CE3-CG1 4.23Å; W100-I103 PolarHBondContact O-N 2.94Å; W100-G104 WeakPolarHBondContact O-CA 3.24Å; W100-G104 PolarHBondContact O-N 3.12Å; W100-M132 HydrophobicContact CZ3-SD 4.05Å; W100-A540 HydrophobicContact CD2-CB 4.38Å; W100-A540 HydrophobicContact CH2-CB 4.29Å; W100-A540 HydrophobicContact CZ2-CB 3.61Å; W100-T541 PolarHBondContact NE1-OG1 3.13Å; W100-L544 HydrophobicContact CB-CD1 4.41Å; W100-L544 HydrophobicContact CG-CD1 4.38Å; W100-F575 HydrophobicContact CE3-CB 4.39Å; W100-F575 HydrophobicContact CH2-CB 4.47Å; W100-F575 AromaticContact CH2-CD1 3.97Å; W100-F575 HydrophobicContact CH2-CD1 3.97Å; W100-F575 AromaticContact CH2-CD2 3.85Å; W100-F575 HydrophobicContact CH2-CD2 3.85Å; W100-F575 HydrophobicContact CH2-CE1 4.15Å; W100-F575 HydrophobicContact CH2-CE2 4.01Å; W100-F575 AromaticContact CH2-CG 3.84Å; W100-F575 HydrophobicContact CH2-CG 3.84Å; W100-F575 HydrophobicContact CH2-CZ 4.17Å; W100-F575 HydrophobicContact CZ3-CB 3.89Å; W100-F575 AromaticContact CZ3-CD1 3.71Å; W100-F575 HydrophobicContact CZ3-CD1 3.71Å; W100-F575 HydrophobicContact CZ3-CD2 4.12Å; W100-F575 HydrophobicContact CZ3-CE1 4.28Å; W100-F575 AromaticContact CZ3-CG 3.64Å; W100-F575 HydrophobicContact CZ3-CG 3.64Å; W100-Y578 PolarHBondContact N-O 3.41Å; W100-Y578 VanDerWaalsContact N-O 3.12Å; W100-V579 HydrophobicContact CB-CG1 3.55Å; W100-V579 HydrophobicContact CD2-CG1 3.34Å; W100-V579 HydrophobicContact CE3-CG1 3.43Å; W100-V579 VanDerWaalsContact CE3-CG1 3.43Å; W100-V579 HydrophobicContact CG-CG1 3.4Å; W100-V579 VanDerWaalsContact CG-CG1 3.4Å; W100-V579 HydrophobicContact CZ3-CG1 4.27Å
101	D	91.7	Very high	91.5	Very high	63 Å²	63	13.9 Å²	13.9	34%	0.337	7%	0.074	S	C	.	.	H	α-helix	trans	-57.2	-24.3	178.4	-56.7	-37.4	0	0	0	113.4	P73 R97 S99	P73-D101 WeakPolarHBondContact CB-O 3.46Å; R97-D101 IonicContact NH2-OD2 3.75Å; S99-D101 VanDerWaalsContact C-N 3.28Å; S99-D101 PolarHBondContact O-N 3.38Å
102	N	95.1	Very high	91.4	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-99.9	-14.1	-178.3	-69.3	-10.8	0	0	0	113.3	N71 V72 F95 T96 R97 S99 W100 E294	N71-N102 HydrophobicContact CB-CB 4.08Å; N71-N102 VanDerWaalsContact CG-CG 3.44Å; N71-N102 PolarHBondContact ND2-ND2 3.07Å; N71-N102 PolarHBondContact ND2-OD1 2.64Å; V72-N102 CarbonylContact C-O 3.57Å; V72-N102 PolarHBondContact N-O 3.3Å; F95-N102 WeakPolarHBondContact CD1-O 3.39Å; F95-N102 VanDerWaalsContact CE1-O 3.3Å; F95-N102 WeakPolarHBondContact CE1-O 3.12Å; T96-N102 PolarHBondContact OG1-ND2 2.83Å; R97-N102 WeakPolarHBondContact CB-ND2 3.49Å; R97-N102 PolarHBondContact N-ND2 3.18Å; R97-N102 PolarHBondContact O-ND2 3.44Å; S99-N102 PolarHBondContact O-N 3.3Å; W100-N102 PolarHBondContact O-N 3.2Å; N102-E294 PolarHBondContact ND2-OE1 3.06Å; N102-E294 PolarHBondContact ND2-OE2 2.73Å
103	I	93.8	Very high	90.9	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-127.9	-8.3	-173.2	73.2	174.1	0	0	0	114.2	V72 F95 S99 W100 G105 L106 I126 I129 M132 Y578	V72-I103 CarbonylContact O-C 3.6Å; V72-I103 VanDerWaalsContact O-C 3.27Å; F95-I103 HydrophobicContact CD1-CG2 3.67Å; F95-I103 HydrophobicContact CE1-CB 4.35Å; F95-I103 HydrophobicContact CE1-CG2 3.7Å; F95-I103 HydrophobicContact CG-CG2 4.25Å; F95-I103 HydrophobicContact CZ-CG2 4.29Å; S99-I103 PolarHBondContact O-N 2.89Å; W100-I103 HydrophobicContact CE3-CG1 4.23Å; W100-I103 PolarHBondContact O-N 2.94Å; I103-G105 PolarHBondContact O-N 3.08Å; I103-G105 VanDerWaalsContact O-N 3.13Å; I103-L106 WeakPolarHBondContact O-CB 3.21Å; I103-L106 PolarHBondContact O-N 3.4Å; I103-I126 HydrophobicContact CG2-CD1 3.53Å; I103-I129 HydrophobicContact CB-CD1 4.31Å; I103-I129 HydrophobicContact CD1-CD1 4.38Å; I103-I129 HydrophobicContact CG2-CD1 3.94Å; I103-M132 HydrophobicContact CD1-CE 3.91Å; I103-M132 HydrophobicContact CD1-SD 3.87Å; I103-M132 HydrophobicContact CG1-CE 4.42Å; I103-Y578 HydrophobicContact CD1-CD1 3.64Å; I103-Y578 HydrophobicContact CD1-CD2 3.48Å; I103-Y578 VanDerWaalsContact CD1-CD2 3.48Å; I103-Y578 HydrophobicContact CD1-CE1 4.08Å; I103-Y578 HydrophobicContact CD1-CE2 3.93Å; I103-Y578 HydrophobicContact CD1-CG 3.31Å
104	G	92.8	Very high	90.2	Very high	4 Å²	4	10.3 Å²	10.3	4%	0.041	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.2	-170.5	0	0	0	0	0	114.2	V72 W100	V72-G104 PolarHBondContact O-N 3.01Å; W100-G104 WeakPolarHBondContact O-CA 3.24Å; W100-G104 PolarHBondContact O-N 3.12Å
105	G	94.4	Very high	89.3	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3	175.5	0	0	0	0	0	114.7	V72 P73 I103 G108 L109	V72-G105 WeakPolarHBondContact O-CA 3.36Å; V72-G105 PolarHBondContact O-N 3.11Å; P73-G105 WeakPolarHBondContact O-CA 3.35Å; I103-G105 PolarHBondContact O-N 3.08Å; I103-G105 VanDerWaalsContact O-N 3.13Å; G105-G108 PolarHBondContact O-N 3.11Å; G105-L109 WeakPolarHBondContact O-CB 3.04Å; G105-L109 PolarHBondContact O-N 3.1Å
106	L	93.4	Very high	88.4	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.8	-42	-174.8	-178.1	58.1	0	0	0	112.3	V72 I93 F95 I103 L109 I110 L123 I129 M132 I133	V72-L106 HydrophobicContact CG2-CD1 4.44Å; I93-L106 HydrophobicContact CD1-CD1 4.04Å; F95-L106 HydrophobicContact CE2-CD2 4.35Å; F95-L106 HydrophobicContact CZ-CD1 4.16Å; F95-L106 HydrophobicContact CZ-CD2 3.82Å; F95-L106 HydrophobicContact CZ-CG 4.49Å; I103-L106 WeakPolarHBondContact O-CB 3.21Å; I103-L106 PolarHBondContact O-N 3.4Å; L106-L109 PolarHBondContact O-N 2.81Å; L106-I110 HydrophobicContact CD1-CD1 4.02Å; L106-I110 HydrophobicContact CD1-CG1 4.21Å; L106-I110 HydrophobicContact CG-CD1 3.94Å; L106-I110 VanDerWaalsContact O-CG1 3.28Å; L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 2.94Å; L106-L123 HydrophobicContact CD1-CD2 4.4Å; L106-L123 HydrophobicContact CD2-CD1 4.27Å; L106-I129 HydrophobicContact CD2-CD1 3.44Å; L106-I129 VanDerWaalsContact CD2-CD1 3.44Å; L106-I129 HydrophobicContact CD2-CG1 3.96Å; L106-M132 HydrophobicContact CD2-CE 4.36Å; L106-I133 HydrophobicContact CD2-CD1 3.74Å; L106-I133 HydrophobicContact CD2-CG1 4.1Å; L106-I133 HydrophobicContact CG-CD1 4.33Å; L106-I133 HydrophobicContact CG-CG1 4.48Å
107	N	89.3	Confident	87.2	Confident	8 Å²	8	20.1 Å²	20.1	4%	0.043	11%	0.112	C	C	.	.	H	α-helix	trans	-64.7	-44.4	178.9	-68.3	-37.8	0	0	0	110.8	L109 I110 L111 A136 F537	N107-L109 PolarHBondContact O-N 3.37Å; N107-I110 PolarHBondContact O-N 2.96Å; N107-L111 WeakPolarHBondContact O-CG 3.15Å; N107-L111 PolarHBondContact O-N 3.3Å; N107-L111 VanDerWaalsContact O-N 3.08Å; N107-A136 HydrophobicContact CB-CB 4.25Å; N107-A136 VanDerWaalsContact CG-CB 3.46Å; N107-A136 WeakPolarHBondContact ND2-CB 3.47Å; N107-F537 HydrophobicContact CB-CD2 3.97Å; N107-F537 HydrophobicContact CB-CE2 3.36Å; N107-F537 HydrophobicContact CB-CZ 3.94Å
108	G	88.4	Confident	86.5	Confident	11 Å²	11	19.3 Å²	19.3	11%	0.113	11%	0.11	C	C	.	.	H	α-helix	trans	-58.4	-45.5	173.4	0	0	0	0	0	112.5	G105 I110 L111 G112 E501	G105-G108 PolarHBondContact O-N 3.11Å; G108-I110 VanDerWaalsContact C-N 3.33Å; G108-I110 PolarHBondContact O-N 2.95Å; G108-L111 WeakPolarHBondContact O-CB 3.25Å; G108-L111 PolarHBondContact O-N 2.98Å; G108-G112 PolarHBondContact O-N 2.81Å; G108-G112 VanDerWaalsContact O-N 3.09Å; G108-E501 VanDerWaalsContact CA-OE2 3.31Å; G108-E501 WeakPolarHBondContact CA-OE2 3.49Å
109	L	90.4	Very high	85.7	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.8	-43.1	175.4	179.8	61.8	0	0	0	112.3	L69 V72 E77 L80 Y87 I93 G105 L106 N107 L111 G112 L113	L69-L109 HydrophobicContact CD1-CD2 3.85Å; V72-L109 HydrophobicContact CG1-CB 4.07Å; V72-L109 HydrophobicContact CG1-CD2 3.75Å; V72-L109 HydrophobicContact CG2-CD2 3.99Å; E77-L109 HydrophobicContact CB-CB 4.39Å; E77-L109 HydrophobicContact CB-CD1 4.39Å; E77-L109 HydrophobicContact CG-CD1 4.43Å; L80-L109 HydrophobicContact CD1-CD1 4.07Å; Y87-L109 HydrophobicContact CE1-CD1 4.15Å; I93-L109 HydrophobicContact CD1-CD2 3.66Å; G105-L109 WeakPolarHBondContact O-CB 3.04Å; G105-L109 PolarHBondContact O-N 3.1Å; L106-L109 PolarHBondContact O-N 2.81Å; N107-L109 PolarHBondContact O-N 3.37Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 PolarHBondContact O-N 2.78Å; L109-G112 WeakPolarHBondContact O-CA 3.12Å; L109-G112 PolarHBondContact O-N 3.34Å; L109-G112 VanDerWaalsContact O-N 3.14Å; L109-L113 HydrophobicContact CD1-CG 4.37Å; L109-L113 HydrophobicContact CG-CD1 4.12Å; L109-L113 HydrophobicContact CG-CG 4.34Å; L109-L113 VanDerWaalsContact O-CG 3.31Å; L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 2.86Å
110	I	88	Confident	85.4	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-37.5	179	-71.9	172.8	0	0	0	111.2	L106 N107 G108 G112 L113 R114 L121 I133	L106-I110 HydrophobicContact CD1-CD1 4.02Å; L106-I110 HydrophobicContact CD1-CG1 4.21Å; L106-I110 HydrophobicContact CG-CD1 3.94Å; L106-I110 VanDerWaalsContact O-CG1 3.28Å; L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 2.94Å; N107-I110 PolarHBondContact O-N 2.96Å; G108-I110 VanDerWaalsContact C-N 3.33Å; G108-I110 PolarHBondContact O-N 2.95Å; I110-G112 VanDerWaalsContact C-N 3.35Å; I110-L113 PolarHBondContact O-N 2.87Å; I110-R114 HydrophobicContact CG2-CG 4.34Å; I110-R114 WeakPolarHBondContact O-CB 3.47Å; I110-R114 VanDerWaalsContact O-CG 3.29Å; I110-R114 WeakPolarHBondContact O-CG 3.48Å; I110-R114 PolarHBondContact O-N 3.05Å; I110-L121 HydrophobicContact CD1-CD2 4.38Å; I110-L121 HydrophobicContact CG1-CD2 4.09Å; I110-I133 HydrophobicContact CD1-CB 4.29Å; I110-I133 HydrophobicContact CD1-CD1 3.66Å; I110-I133 HydrophobicContact CD1-CG1 3.83Å; I110-I133 HydrophobicContact CD1-CG2 3.47Å; I110-I133 VanDerWaalsContact CD1-CG2 3.47Å
111	L	83.5	Confident	85.2	Confident	38 Å²	38	22.1 Å²	22.1	20%	0.199	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-43	172.8	-62.6	175.8	0	0	0	111.9	N107 G108 L109 R114 K115 C140 A533 F537	N107-L111 WeakPolarHBondContact O-CG 3.15Å; N107-L111 PolarHBondContact O-N 3.3Å; N107-L111 VanDerWaalsContact O-N 3.08Å; G108-L111 WeakPolarHBondContact O-CB 3.25Å; G108-L111 PolarHBondContact O-N 2.98Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 PolarHBondContact O-N 2.78Å; L111-R114 PolarHBondContact O-N 3.48Å; L111-K115 WeakPolarHBondContact O-CB 3.44Å; L111-K115 PolarHBondContact O-N 3.02Å; L111-C140 HydrophobicContact CD1-CB 4.33Å; L111-C140 HydrophobicContact CD2-CB 3.45Å; L111-C140 VanDerWaalsContact CD2-CB 3.45Å; L111-C140 VanDerWaalsContact CD2-SG 3.56Å; L111-C140 HydrophobicContact CG-CB 4.49Å; L111-A533 HydrophobicContact CD1-CB 4.11Å; L111-F537 HydrophobicContact CD1-CE2 4.27Å
112	G	82.2	Confident	85.2	Confident	7 Å²	7	20.6 Å²	20.6	7%	0.072	12%	0.122	C	C	.	.	H	α-helix	trans	-59.2	-44.6	172.6	0	0	0	0	0	112.7	G108 L109 I110 K115 A116	G108-G112 PolarHBondContact O-N 2.81Å; G108-G112 VanDerWaalsContact O-N 3.09Å; L109-G112 WeakPolarHBondContact O-CA 3.12Å; L109-G112 PolarHBondContact O-N 3.34Å; L109-G112 VanDerWaalsContact O-N 3.14Å; I110-G112 VanDerWaalsContact C-N 3.35Å; G112-K115 PolarHBondContact O-N 3.18Å; G112-A116 WeakPolarHBondContact O-CB 3.46Å; G112-A116 PolarHBondContact O-N 3.49Å
113	L	84.3	Confident	85.1	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.4	-42.5	178.3	-70	174.3	0	0	0	112.7	Y87 L90 L109 I110 A116 G117 I118 L121 V147	Y87-L113 HydrophobicContact CD1-CD2 3.45Å; Y87-L113 VanDerWaalsContact CD1-CD2 3.45Å; Y87-L113 HydrophobicContact CD1-CG 4.36Å; Y87-L113 HydrophobicContact CE1-CD2 4.32Å; Y87-L113 HydrophobicContact CG-CD2 3.92Å; L90-L113 HydrophobicContact CD2-CD2 4.34Å; L109-L113 HydrophobicContact CD1-CG 4.37Å; L109-L113 HydrophobicContact CG-CD1 4.12Å; L109-L113 HydrophobicContact CG-CG 4.34Å; L109-L113 VanDerWaalsContact O-CG 3.31Å; L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 2.86Å; I110-L113 PolarHBondContact O-N 2.87Å; L113-A116 CarbonylContact O-C 3.6Å; L113-A116 PolarHBondContact O-N 2.93Å; L113-G117 PolarHBondContact O-N 3.29Å; L113-G117 VanDerWaalsContact O-N 3.11Å; L113-I118 HydrophobicContact CB-CB 4.24Å; L113-I118 HydrophobicContact CB-CG1 4.47Å; L113-I118 HydrophobicContact CD2-CB 4.34Å; L113-I118 HydrophobicContact CD2-CG1 3.96Å; L113-I118 PolarHBondContact O-N 3.31Å; L113-L121 HydrophobicContact CD1-CD1 4.08Å; L113-L121 HydrophobicContact CD1-CD2 3.88Å; L113-V147 HydrophobicContact CB-CG2 4.27Å
114	R	80.1	Confident	85.1	Confident	22 Å²	22	20.6 Å²	20.6	8%	0.083	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-44.2	176.8	-72.5	-179.4	70.8	131.4	2	111.7	I110 L111 A116 G117 E137 A143 G144 P145 P146 V147	I110-R114 HydrophobicContact CG2-CG 4.34Å; I110-R114 WeakPolarHBondContact O-CB 3.47Å; I110-R114 VanDerWaalsContact O-CG 3.29Å; I110-R114 WeakPolarHBondContact O-CG 3.48Å; I110-R114 PolarHBondContact O-N 3.05Å; L111-R114 PolarHBondContact O-N 3.48Å; R114-A116 PolarHBondContact O-N 3.47Å; R114-G117 WeakPolarHBondContact O-CA 3.48Å; R114-G117 PolarHBondContact O-N 2.71Å; R114-E137 IonicContact CZ-OE1 3.41Å; R114-E137 IonicContact NH1-OE1 3.36Å; R114-E137 PolarHBondContact NH1-OE1 3.15Å; R114-A143 CarbonylContact C-O 3.55Å; R114-A143 VanDerWaalsContact CB-O 3.31Å; R114-A143 WeakPolarHBondContact CB-O 3.41Å; R114-G144 PolarHBondContact NH2-O 2.89Å; R114-P145 PolarHBondContact NE-O 2.86Å; R114-P146 VanDerWaalsContact CZ-CA 3.46Å; R114-V147 HydrophobicContact CG-CB 4.44Å; R114-V147 HydrophobicContact CG-CG2 3.52Å
115	K	76	Confident	84.8	Confident	156 Å²	156	20.4 Å²	20.4	68%	0.678	12%	0.12	S	C	*	.	H	α-helix	trans	-59.8	-34.4	174.1	-175.6	179.5	178.5	-178.9	0	111.9	L111 G112 G117 A143	L111-K115 WeakPolarHBondContact O-CB 3.44Å; L111-K115 PolarHBondContact O-N 3.02Å; G112-K115 PolarHBondContact O-N 3.18Å; K115-G117 VanDerWaalsContact C-N 3.27Å; K115-G117 PolarHBondContact O-N 2.64Å; K115-A143 PolarHBondContact N-O 2.87Å
116	A	76.9	Confident	84.4	Confident	35 Å²	35	20.5 Å²	20.5	29%	0.289	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.2	174	0	0	0	0	0	114.2	Y87 G112 L113 R114 I118	Y87-A116 HydrophobicContact CD2-CB 3.55Å; Y87-A116 HydrophobicContact CE2-CB 4.39Å; Y87-A116 HydrophobicContact CG-CB 4.01Å; G112-A116 WeakPolarHBondContact O-CB 3.46Å; G112-A116 PolarHBondContact O-N 3.49Å; L113-A116 CarbonylContact O-C 3.6Å; L113-A116 PolarHBondContact O-N 2.93Å; R114-A116 PolarHBondContact O-N 3.47Å; A116-I118 HydrophobicContact CB-CG1 4.29Å
117	G	70.7	Confident	83.7	Confident	15 Å²	15	22.3 Å²	22.3	16%	0.155	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	18.9	179.1	0	0	0	0	0	114.8	L113 R114 K115 G119 I851	L113-G117 PolarHBondContact O-N 3.29Å; L113-G117 VanDerWaalsContact O-N 3.11Å; R114-G117 WeakPolarHBondContact O-CA 3.48Å; R114-G117 PolarHBondContact O-N 2.71Å; K115-G117 VanDerWaalsContact C-N 3.27Å; K115-G117 PolarHBondContact O-N 2.64Å; G117-G119 PolarHBondContact O-N 3.43Å; G117-I851 WeakPolarHBondContact O-CD1 3.36Å; G117-I851 WeakPolarHBondContact O-CG1 3.48Å
118	I	74.7	Confident	83.1	Confident	14 Å²	14	23.5 Å²	23.5	7%	0.072	15%	0.146	C	C	.	.			trans	-71.2	129.9	178.9	-55.2	-52.1	0	0	0	110.2	L113 A116 V147 I851	L113-I118 HydrophobicContact CB-CB 4.24Å; L113-I118 HydrophobicContact CB-CG1 4.47Å; L113-I118 HydrophobicContact CD2-CB 4.34Å; L113-I118 HydrophobicContact CD2-CG1 3.96Å; L113-I118 PolarHBondContact O-N 3.31Å; A116-I118 HydrophobicContact CB-CG1 4.29Å; I118-V147 VanDerWaalsContact O-CG2 3.24Å; I118-V147 WeakPolarHBondContact O-CG2 3.32Å; I118-I851 HydrophobicContact CD1-CD1 4.43Å
119	G	70.9	Confident	82.9	Confident	37 Å²	37	23 Å²	23	38%	0.381	14%	0.141	S	C	.	.			trans	-98.3	-25.6	-170.7	0	0	0	0	0	115.9	G117 R148	G117-G119 PolarHBondContact O-N 3.43Å; G119-R148 WeakPolarHBondContact O-CB 3.47Å; G119-R148 PolarHBondContact O-N 3.49Å
120	D	83.9	Confident	82.6	Confident	50 Å²	50	23.2 Å²	23.2	27%	0.267	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	137.3	-176.1	-63.7	-79.1	0	0	0	110.5	R148	D120-R148 CarbonylContact C-O 3.57Å; D120-R148 WeakPolarHBondContact CA-O 3.34Å; D120-R148 WeakPolarHBondContact OD1-CB 3.4Å; D120-R148 VanDerWaalsContact OD1-CD 3.28Å; D120-R148 WeakPolarHBondContact OD1-CD 3.23Å; D120-R148 IonicContact OD1-CZ 3.2Å; D120-R148 IonicContact OD1-NE 3.38Å; D120-R148 IonicContact OD1-NH1 3.45Å; D120-R148 PolarHBondContact OD1-NH1 3Å; D120-R148 IonicContact OD2-NH1 3.86Å
121	L	89.2	Confident	82.1	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	126.4	177.6	-172.8	66.3	0	0	0	110.2	I93 I110 L113 L123 V147 R148 I149 Q150	I93-L121 HydrophobicContact CD1-CD1 3.93Å; I93-L121 HydrophobicContact CD1-CD2 4.08Å; I93-L121 HydrophobicContact CD1-CG 4.39Å; I93-L121 HydrophobicContact CG1-CD1 4.01Å; I110-L121 HydrophobicContact CD1-CD2 4.38Å; I110-L121 HydrophobicContact CG1-CD2 4.09Å; L113-L121 HydrophobicContact CD1-CD1 4.08Å; L113-L121 HydrophobicContact CD1-CD2 3.88Å; L121-L123 HydrophobicContact CD2-CD2 3.77Å; L121-L123 HydrophobicContact CG-CD2 3.82Å; L121-V147 HydrophobicContact CB-CG1 3.42Å; L121-V147 VanDerWaalsContact CB-CG1 3.42Å; L121-V147 HydrophobicContact CD2-CG1 4.38Å; L121-R148 PolarHBondContact N-O 3.48Å; L121-I149 WeakPolarHBondContact O-CA 3.41Å; L121-Q150 PolarHBondContact O-N 3.27Å
122	H	91.7	Very high	82.1	Confident	32 Å²	32	24.3 Å²	24.3	15%	0.148	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.7	178.2	-66.8	-114.5	0	0	0	109.4	Q91 H92 I93 Q150 H152	Q91-H122 WeakPolarHBondContact O-CB 3.49Å; Q91-H122 PolarHBondContact O-N 3.17Å; H92-H122 WeakPolarHBondContact CA-O 3.1Å; H92-H122 AromaticContact CE1-CD2 3.79Å; H92-H122 AromaticContact CE1-CG 3.56Å; H92-H122 AromaticContact CE1-ND1 3.97Å; H92-H122 VanDerWaalsContact ND1-CB 3.28Å; H92-H122 WeakPolarHBondContact ND1-CB 3.45Å; H92-H122 AromaticContact ND1-CG 3.67Å; I93-H122 PolarHBondContact N-O 2.89Å; H122-Q150 CarbonylContact C-O 3.53Å; H122-Q150 WeakPolarHBondContact CA-O 3.35Å; H122-Q150 VanDerWaalsContact CE1-CD 3.47Å; H122-Q150 PolarHBondContact CE1-OE1 3.07Å; H122-H152 AromaticContact CE1-NE2 3.96Å; H122-H152 AromaticContact CG-NE2 3.8Å; H122-H152 AromaticContact ND1-CD2 3.93Å; H122-H152 AromaticContact ND1-CE1 3.69Å; H122-H152 AromaticContact ND1-NE2 2.99Å; H122-H152 PolarHBondContact ND1-NE2 2.97Å
123	L	93.5	Very high	82.2	Confident	1 Å²	1	24 Å²	24	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.3	-179.6	-55.7	-177.3	0	0	0	109.2	I93 F95 L106 L121 I129 I133 I149 Q150 E151 H152	I93-L123 HydrophobicContact CB-CD2 3.96Å; I93-L123 HydrophobicContact CD1-CD2 4.08Å; I93-L123 HydrophobicContact CG1-CD2 4.28Å; F95-L123 HydrophobicContact CE2-CB 4.29Å; F95-L123 HydrophobicContact CE2-CD2 4.12Å; L106-L123 HydrophobicContact CD1-CD2 4.4Å; L106-L123 HydrophobicContact CD2-CD1 4.27Å; L121-L123 HydrophobicContact CD2-CD2 3.77Å; L121-L123 HydrophobicContact CG-CD2 3.82Å; L123-I129 HydrophobicContact CB-CG2 4.3Å; L123-I129 HydrophobicContact CD1-CG2 3.64Å; L123-I133 HydrophobicContact CD1-CD1 3.52Å; L123-I149 HydrophobicContact CD1-CG2 3.58Å; L123-I149 HydrophobicContact CG-CG2 4Å; L123-Q150 PolarHBondContact N-O 3.05Å; L123-E151 CarbonylContact O-C 3.59Å; L123-E151 WeakPolarHBondContact O-CA 3.32Å; L123-H152 PolarHBondContact O-N 2.87Å
124	H	93.4	Very high	81.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141	-174.1	-56.6	-87.3	0	0	0	110.9	H92 I93 F94 F95 H152 Y159 Y168	H92-H124 AromaticContact CG-NE2 3.89Å; H92-H124 AromaticContact ND1-NE2 3.26Å; H92-H124 PolarHBondContact ND1-NE2 3.43Å; I93-H124 PolarHBondContact O-CD2 2.93Å; I93-H124 PolarHBondContact O-N 2.88Å; F94-H124 HydrophobicContact CB-CB 4.39Å; F94-H124 HydrophobicContact CD1-CB 3.45Å; F94-H124 VanDerWaalsContact CD1-CB 3.45Å; F94-H124 AromaticContact CD1-CD2 3.65Å; F94-H124 AromaticContact CD1-CG 3.66Å; F94-H124 HydrophobicContact CE1-CB 3.91Å; F94-H124 AromaticContact CE1-CD2 3.42Å; F94-H124 VanDerWaalsContact CE1-CD2 3.42Å; F94-H124 WeakPolarHBondContact CE1-CD2 3.3Å; F94-H124 AromaticContact CE1-CG 3.59Å; F94-H124 AromaticContact CE1-NE2 3.73Å; F94-H124 AromaticContact CE2-CD2 3.91Å; F94-H124 HydrophobicContact CG-CB 4.04Å; F94-H124 AromaticContact CG-CD2 3.99Å; F94-H124 AromaticContact CZ-CD2 3.54Å; F94-H124 AromaticContact CZ-NE2 3.59Å; F95-H124 WeakPolarHBondContact CD2-O 3.11Å; F95-H124 PolarHBondContact N-O 3.14Å; H124-H152 CarbonylContact C-O 3.51Å; H124-H152 VanDerWaalsContact CA-O 3.31Å; H124-H152 WeakPolarHBondContact CA-O 3.32Å; H124-H152 AromaticContact CE1-CD2 3.78Å; H124-H152 AromaticContact CE1-CG 3.78Å; H124-H152 WeakPolarHBondContact ND1-CB 3.29Å; H124-H152 AromaticContact ND1-CD2 3.73Å; H124-H152 AromaticContact ND1-CG 3.5Å; H124-Y159 AromaticContact CE1-CD2 3.55Å; H124-Y159 AromaticContact CE1-CG 3.8Å; H124-Y168 HydrophobicContact CB-CE1 4.01Å; H124-Y168 PolarHBondContact CE1-OH 3.48Å; H124-Y168 PolarHBondContact ND1-OH 2.84Å
125	G	86.7	Confident	81.4	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	91.7	-3.8	169.1	0	0	0	0	0	116.7	H152 A227 Y229 Y231	G125-H152 PolarHBondContact N-O 2.81Å; G125-A227 VanDerWaalsContact O-CB 3.3Å; G125-A227 WeakPolarHBondContact O-CB 3.37Å; G125-Y229 VanDerWaalsContact O-CD2 3.27Å; G125-Y229 WeakPolarHBondContact O-CD2 3.3Å; G125-Y229 WeakPolarHBondContact O-CE2 3.5Å; G125-Y231 WeakPolarHBondContact CA-OH 3.24Å
126	I	84.4	Confident	81.2	Confident	3 Å²	3	21.6 Å²	21.6	2%	0.015	14%	0.142	C	C	.	.			trans	-135.1	121.3	175.9	-60.7	168.4	0	0	0	110.1	F95 I103 I129 Y578	F95-I126 HydrophobicContact CB-CD1 3.33Å; F95-I126 HydrophobicContact CB-CG1 3.69Å; F95-I126 HydrophobicContact CD1-CD1 4.14Å; F95-I126 HydrophobicContact CD2-CD1 3.76Å; F95-I126 HydrophobicContact CD2-CG1 4.29Å; F95-I126 HydrophobicContact CG-CD1 3.48Å; F95-I126 VanDerWaalsContact CG-CD1 3.48Å; F95-I126 HydrophobicContact CG-CG1 4.21Å; I103-I126 HydrophobicContact CG2-CD1 3.53Å; I126-I129 HydrophobicContact CB-CB 4.48Å; I126-I129 HydrophobicContact CD1-CD1 4.08Å; I126-I129 HydrophobicContact CG2-CB 4.03Å; I126-I129 HydrophobicContact CG2-CD1 4.47Å; I126-Y578 HydrophobicContact CG2-CE1 3.76Å
127	P	79.5	Confident	81.1	Confident	37 Å²	37	22.2 Å²	22.2	24%	0.24	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	145.1	171.3	31	-33	0	0	0	111.9	I129 Y153 F225	P127-I129 VanDerWaalsContact C-N 3.27Å; P127-I129 PolarHBondContact O-N 3.31Å; P127-Y153 HydrophobicContact CB-CD1 3.85Å; P127-Y153 HydrophobicContact CB-CD2 4.1Å; P127-Y153 HydrophobicContact CB-CE1 3.83Å; P127-Y153 HydrophobicContact CB-CE2 4.08Å; P127-Y153 HydrophobicContact CB-CG 3.98Å; P127-F225 HydrophobicContact CG-CD1 4.38Å
128	G	76.9	Confident	81.2	Confident	33 Å²	33	27.8 Å²	27.8	34%	0.34	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	1.6	168.7	0	0	0	0	0	115.7	S130 S131 E151	G128-S130 PolarHBondContact O-N 3.38Å; G128-S131 WeakPolarHBondContact O-CB 3.49Å; G128-S131 PolarHBondContact O-N 3.46Å; G128-S131 PolarHBondContact O-OG 3.15Å; G128-E151 PolarHBondContact N-OE2 3.37Å
129	I	84.4	Confident	81.1	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-26.4	-178.4	-165.8	168.1	0	0	0	113.2	F95 I103 L106 L123 I126 P127 S131 M132 I133 E151 Y578	F95-I129 HydrophobicContact CD2-CD1 4.37Å; F95-I129 HydrophobicContact CE2-CD1 3.88Å; F95-I129 HydrophobicContact CZ-CD1 4.16Å; I103-I129 HydrophobicContact CB-CD1 4.31Å; I103-I129 HydrophobicContact CD1-CD1 4.38Å; I103-I129 HydrophobicContact CG2-CD1 3.94Å; L106-I129 HydrophobicContact CD2-CD1 3.44Å; L106-I129 VanDerWaalsContact CD2-CD1 3.44Å; L106-I129 HydrophobicContact CD2-CG1 3.96Å; L123-I129 HydrophobicContact CB-CG2 4.3Å; L123-I129 HydrophobicContact CD1-CG2 3.64Å; I126-I129 HydrophobicContact CB-CB 4.48Å; I126-I129 HydrophobicContact CD1-CD1 4.08Å; I126-I129 HydrophobicContact CG2-CB 4.03Å; I126-I129 HydrophobicContact CG2-CD1 4.47Å; P127-I129 VanDerWaalsContact C-N 3.27Å; P127-I129 PolarHBondContact O-N 3.31Å; I129-S131 PolarHBondContact O-N 2.93Å; I129-M132 HydrophobicContact CD1-CE 4.5Å; I129-M132 HydrophobicContact CG1-CE 4.03Å; I129-M132 WeakPolarHBondContact O-CB 3.17Å; I129-M132 PolarHBondContact O-N 3.21Å; I129-I133 HydrophobicContact CG1-CD1 4.39Å; I129-I133 WeakPolarHBondContact O-CG1 3.49Å; I129-I133 PolarHBondContact O-N 3.36Å; I129-E151 HydrophobicContact CG2-CG 4.14Å; I129-E151 PolarHBondContact N-OE1 3.1Å; I129-E151 VanDerWaalsContact N-OE1 3.16Å; I129-Y578 VanDerWaalsContact CA-OH 3.31Å; I129-Y578 WeakPolarHBondContact CA-OH 3.48Å; I129-Y578 PolarHBondContact N-OH 3.46Å
130	S	83.3	Confident	80.9	Confident	5 Å²	5	26.5 Å²	26.5	4%	0.035	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-26	175.3	-57.5	0	0	0	0	112.9	G128 R134 I149 E151	G128-S130 PolarHBondContact O-N 3.38Å; S130-R134 WeakPolarHBondContact O-CB 3.44Å; S130-R134 VanDerWaalsContact O-CG 3.3Å; S130-R134 WeakPolarHBondContact O-CG 3.41Å; S130-R134 PolarHBondContact O-N 2.92Å; S130-R134 PolarHBondContact O-NE 3.28Å; S130-I149 WeakPolarHBondContact OG-CG2 3.39Å; S130-E151 WeakPolarHBondContact CA-OE1 3.32Å; S130-E151 WeakPolarHBondContact CB-OE1 3.38Å; S130-E151 PolarHBondContact N-OE1 3.35Å; S130-E151 WeakPolarHBondContact OG-CG 3.17Å; S130-E151 PolarHBondContact OG-OE1 2.73Å
131	S	79	Confident	79.9	Confident	63 Å²	63	28.2 Å²	28.2	44%	0.441	15%	0.153	S	C	.	.	H	α-helix	trans	-66.8	-43.6	176	66.1	0	0	0	0	111.6	G128 I129 G135	G128-S131 WeakPolarHBondContact O-CB 3.49Å; G128-S131 PolarHBondContact O-N 3.46Å; G128-S131 PolarHBondContact O-OG 3.15Å; I129-S131 PolarHBondContact O-N 2.93Å; S131-G135 PolarHBondContact O-N 2.99Å; S131-G135 VanDerWaalsContact O-N 3.12Å
132	M	82.8	Confident	78.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-48.7	174.1	179.9	-172.3	78.3	0	0	111	W100 I103 L106 I129 G135 A136 F575 Y578	W100-M132 HydrophobicContact CZ3-SD 4.05Å; I103-M132 HydrophobicContact CD1-CE 3.91Å; I103-M132 HydrophobicContact CD1-SD 3.87Å; I103-M132 HydrophobicContact CG1-CE 4.42Å; L106-M132 HydrophobicContact CD2-CE 4.36Å; I129-M132 HydrophobicContact CD1-CE 4.5Å; I129-M132 HydrophobicContact CG1-CE 4.03Å; I129-M132 WeakPolarHBondContact O-CB 3.17Å; I129-M132 PolarHBondContact O-N 3.21Å; M132-G135 PolarHBondContact O-N 2.89Å; M132-A136 PolarHBondContact O-N 2.92Å; M132-F575 HydrophobicContact CG-CD1 3.67Å; M132-F575 HydrophobicContact CG-CE1 3.8Å; M132-F575 HydrophobicContact SD-CD1 3.89Å; M132-F575 HydrophobicContact SD-CE1 4.29Å; M132-Y578 HydrophobicContact CB-CE2 4.22Å; M132-Y578 HydrophobicContact SD-CD2 3.82Å; M132-Y578 HydrophobicContact SD-CE2 3.85Å
133	I	83	Confident	76.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-50.8	-179.1	-62.9	162.5	0	0	0	110.4	L106 I110 L123 I129 G135 A136 E137 I149	L106-I133 HydrophobicContact CD2-CD1 3.74Å; L106-I133 HydrophobicContact CD2-CG1 4.1Å; L106-I133 HydrophobicContact CG-CD1 4.33Å; L106-I133 HydrophobicContact CG-CG1 4.48Å; I110-I133 HydrophobicContact CD1-CB 4.29Å; I110-I133 HydrophobicContact CD1-CD1 3.66Å; I110-I133 HydrophobicContact CD1-CG1 3.83Å; I110-I133 HydrophobicContact CD1-CG2 3.47Å; I110-I133 VanDerWaalsContact CD1-CG2 3.47Å; L123-I133 HydrophobicContact CD1-CD1 3.52Å; I129-I133 HydrophobicContact CG1-CD1 4.39Å; I129-I133 WeakPolarHBondContact O-CG1 3.49Å; I129-I133 PolarHBondContact O-N 3.36Å; I133-G135 VanDerWaalsContact C-N 3.29Å; I133-G135 PolarHBondContact O-N 3.45Å; I133-A136 CarbonylContact O-C 3.53Å; I133-A136 WeakPolarHBondContact O-CB 3.23Å; I133-A136 PolarHBondContact O-N 2.94Å; I133-A136 VanDerWaalsContact O-N 3.09Å; I133-E137 HydrophobicContact CG2-CG 4.32Å; I133-E137 WeakPolarHBondContact O-CG 3.02Å; I133-E137 PolarHBondContact O-N 3.13Å; I133-I149 HydrophobicContact CB-CD1 4.04Å; I133-I149 HydrophobicContact CD1-CD1 3.79Å; I133-I149 HydrophobicContact CG2-CD1 3.55Å
134	R	76.7	Confident	75.1	Confident	112 Å²	112	39.1 Å²	39.1	42%	0.423	22%	0.223	S	C	.	.	H	α-helix	trans	-59.2	-39.4	-179.4	-78.2	-174.4	-74.6	-103.9	3.3	112.6	S130 E137 H138	S130-R134 WeakPolarHBondContact O-CB 3.44Å; S130-R134 VanDerWaalsContact O-CG 3.3Å; S130-R134 WeakPolarHBondContact O-CG 3.41Å; S130-R134 PolarHBondContact O-N 2.92Å; S130-R134 PolarHBondContact O-NE 3.28Å; R134-E137 PolarHBondContact O-N 3.05Å; R134-H138 PolarHBondContact O-CE1 3.28Å; R134-H138 VanDerWaalsContact O-CE1 3.28Å; R134-H138 PolarHBondContact O-ND1 2.64Å
135	G	71.6	Confident	73.7	Confident	16 Å²	16	41.9 Å²	41.9	17%	0.165	24%	0.241	C	C	.	.	H	α-helix	trans	-68	-38.8	176	0	0	0	0	0	112.9	S131 M132 I133 E137 H138	S131-G135 PolarHBondContact O-N 2.99Å; S131-G135 VanDerWaalsContact O-N 3.12Å; M132-G135 PolarHBondContact O-N 2.89Å; I133-G135 VanDerWaalsContact C-N 3.29Å; I133-G135 PolarHBondContact O-N 3.45Å; G135-E137 VanDerWaalsContact C-N 3.31Å; G135-E137 PolarHBondContact O-N 3.03Å; G135-H138 PolarHBondContact O-N 2.98Å
136	A	72.2	Confident	72.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-65.9	-30.4	172.7	0	0	0	0	0	112.5	N107 M132 I133 H138 V139 C140 F537	N107-A136 HydrophobicContact CB-CB 4.25Å; N107-A136 VanDerWaalsContact CG-CB 3.46Å; N107-A136 WeakPolarHBondContact ND2-CB 3.47Å; M132-A136 PolarHBondContact O-N 2.92Å; I133-A136 CarbonylContact O-C 3.53Å; I133-A136 WeakPolarHBondContact O-CB 3.23Å; I133-A136 PolarHBondContact O-N 2.94Å; I133-A136 VanDerWaalsContact O-N 3.09Å; A136-H138 PolarHBondContact O-N 3.27Å; A136-H138 VanDerWaalsContact O-N 3.12Å; A136-V139 WeakPolarHBondContact O-CG2 3.14Å; A136-V139 PolarHBondContact O-N 3.15Å; A136-C140 PolarHBondContact O-SG 3.45Å; A136-F537 HydrophobicContact CB-CZ 4.01Å
137	E	74.6	Confident	72.5	Confident	47 Å²	47	46.4 Å²	46.4	22%	0.22	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-63.3	-18.9	175.9	-72.4	-177	137	0	0	113.8	R114 I133 R134 G135 V139	R114-E137 IonicContact CZ-OE1 3.41Å; R114-E137 IonicContact NH1-OE1 3.36Å; R114-E137 PolarHBondContact NH1-OE1 3.15Å; I133-E137 HydrophobicContact CG2-CG 4.32Å; I133-E137 WeakPolarHBondContact O-CG 3.02Å; I133-E137 PolarHBondContact O-N 3.13Å; R134-E137 PolarHBondContact O-N 3.05Å; G135-E137 VanDerWaalsContact C-N 3.31Å; G135-E137 PolarHBondContact O-N 3.03Å; E137-V139 VanDerWaalsContact C-N 3.29Å; E137-V139 PolarHBondContact O-N 2.76Å
138	H	72	Confident	72.6	Confident	133 Å²	133	50 Å²	50	62%	0.616	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-77.2	-14.5	178.6	-68.8	74.4	0	0	0	113.8	R134 G135 A136	R134-H138 PolarHBondContact O-CE1 3.28Å; R134-H138 VanDerWaalsContact O-CE1 3.28Å; R134-H138 PolarHBondContact O-ND1 2.64Å; G135-H138 PolarHBondContact O-N 2.98Å; A136-H138 PolarHBondContact O-N 3.27Å; A136-H138 VanDerWaalsContact O-N 3.12Å
139	V	73.7	Confident	73.1	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.024	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-104.6	2.7	178.2	-76.6	0	0	0	0	113.5	A136 E137 M531 H532 A533 F536 F537 I571 M626	A136-V139 WeakPolarHBondContact O-CG2 3.14Å; A136-V139 PolarHBondContact O-N 3.15Å; E137-V139 VanDerWaalsContact C-N 3.29Å; E137-V139 PolarHBondContact O-N 2.76Å; V139-M531 WeakPolarHBondContact CB-O 3.38Å; V139-M531 HydrophobicContact CG1-CB 4.14Å; V139-M531 HydrophobicContact CG1-CE 4Å; V139-M531 WeakPolarHBondContact CG1-O 3.14Å; V139-H532 WeakPolarHBondContact O-CA 3.01Å; V139-A533 PolarHBondContact O-N 3.16Å; V139-F536 HydrophobicContact CB-CE1 4.14Å; V139-F536 HydrophobicContact CB-CZ 4.26Å; V139-F536 HydrophobicContact CG1-CE1 4.27Å; V139-F536 HydrophobicContact CG1-CZ 4.23Å; V139-F536 HydrophobicContact CG2-CE1 4.08Å; V139-F536 HydrophobicContact CG2-CZ 3.82Å; V139-F537 HydrophobicContact CG2-CE1 3.91Å; V139-F537 HydrophobicContact CG2-CZ 4.17Å; V139-I571 HydrophobicContact CB-CD1 4.3Å; V139-I571 HydrophobicContact CG1-CD1 3.12Å; V139-I571 HydrophobicContact CG2-CD1 4.26Å; V139-M626 HydrophobicContact CG1-CE 3.91Å
140	C	67.5	Low	73.2	Confident	20 Å²	20	50.8 Å²	50.8	14%	0.135	27%	0.274	C	S	.	.	S	Bend	trans	-103.9	136.2	-179.6	-57.2	0	0	0	0	109.5	L111 A136 Q142	L111-C140 HydrophobicContact CD1-CB 4.33Å; L111-C140 HydrophobicContact CD2-CB 3.45Å; L111-C140 VanDerWaalsContact CD2-CB 3.45Å; L111-C140 VanDerWaalsContact CD2-SG 3.56Å; L111-C140 HydrophobicContact CG-CB 4.49Å; A136-C140 PolarHBondContact O-SG 3.45Å; C140-Q142 PolarHBondContact O-N 2.73Å
141	E	62.7	Low	73.4	Confident	86 Å²	86	51.3 Å²	51.3	40%	0.402	28%	0.276	S	S	.	.			trans	-56.3	133.1	164.2	-71.4	-161.8	148.2	0	0	109	A143	E141-A143 VanDerWaalsContact C-N 3.26Å; E141-A143 PolarHBondContact O-N 3.36Å
142	Q	54.7	Low	73.8	Confident	175 Å²	175	50 Å²	50	82%	0.818	26%	0.263	S	S	*	.			trans	-69.7	81.2	-177.3	-66	-165.4	-7.3	0	0	111.2	C140 G144	C140-Q142 PolarHBondContact O-N 2.73Å; Q142-G144 PolarHBondContact O-N 2.92Å; Q142-G144 VanDerWaalsContact O-N 3.15Å
143	A	56.8	Low	73.6	Confident	48 Å²	48	51.5 Å²	51.5	40%	0.397	27%	0.269	S	S	.	.			trans	-85.3	77.6	176.1	0	0	0	0	0	110.3	R114 K115 E141	R114-A143 CarbonylContact C-O 3.55Å; R114-A143 VanDerWaalsContact CB-O 3.31Å; R114-A143 WeakPolarHBondContact CB-O 3.41Å; K115-A143 PolarHBondContact N-O 2.87Å; E141-A143 VanDerWaalsContact C-N 3.26Å; E141-A143 PolarHBondContact O-N 3.36Å
144	G	60.4	Low	72.9	Confident	39 Å²	39	52 Å²	52	40%	0.402	27%	0.274	S	S	.	.	S	Bend	trans	97.2	179.4	174.4	0	0	0	0	0	115.2	R114 Q142	R114-G144 PolarHBondContact NH2-O 2.89Å; Q142-G144 PolarHBondContact O-N 2.92Å; Q142-G144 VanDerWaalsContact O-N 3.15Å
145	P	64.2	Low	72.3	Confident	58 Å²	58	50.2 Å²	50.2	38%	0.377	27%	0.273	S	S	.	.	S	Bend	trans	-63.6	153.5	-175.7	28.2	-34.5	0	0	0	111.4	R114	R114-P145 PolarHBondContact NE-O 2.86Å
146	P	70	Confident	71.8	Confident	91 Å²	91	54.7 Å²	54.7	59%	0.591	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-63.5	139.7	175.6	27.1	-33.3	0	0	0	111.8	R114	R114-P146 VanDerWaalsContact CZ-CA 3.46Å
147	V	76.5	Confident	71.7	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.042	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-79.6	121.6	169.1	172.8	0	0	0	0	107.3	L113 R114 I118 L121 I149	L113-V147 HydrophobicContact CB-CG2 4.27Å; R114-V147 HydrophobicContact CG-CB 4.44Å; R114-V147 HydrophobicContact CG-CG2 3.52Å; I118-V147 VanDerWaalsContact O-CG2 3.24Å; I118-V147 WeakPolarHBondContact O-CG2 3.32Å; L121-V147 HydrophobicContact CB-CG1 3.42Å; L121-V147 VanDerWaalsContact CB-CG1 3.42Å; L121-V147 HydrophobicContact CD2-CG1 4.38Å; V147-I149 HydrophobicContact CG1-CG1 4.45Å; V147-I149 PolarHBondContact O-N 3.13Å
148	R	82.4	Confident	72.2	Confident	111 Å²	111	58.6 Å²	58.6	42%	0.419	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.1	172	-173.7	-173.2	-62.4	146	-13	109	G119 D120 L121	G119-R148 WeakPolarHBondContact O-CB 3.47Å; G119-R148 PolarHBondContact O-N 3.49Å; D120-R148 CarbonylContact C-O 3.57Å; D120-R148 WeakPolarHBondContact CA-O 3.34Å; D120-R148 WeakPolarHBondContact OD1-CB 3.4Å; D120-R148 VanDerWaalsContact OD1-CD 3.28Å; D120-R148 WeakPolarHBondContact OD1-CD 3.23Å; D120-R148 IonicContact OD1-CZ 3.2Å; D120-R148 IonicContact OD1-NE 3.38Å; D120-R148 IonicContact OD1-NH1 3.45Å; D120-R148 PolarHBondContact OD1-NH1 3Å; D120-R148 IonicContact OD2-NH1 3.86Å; L121-R148 PolarHBondContact N-O 3.48Å
149	I	86.3	Confident	73.1	Confident	15 Å²	15	53.8 Å²	53.8	8%	0.077	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.4	-178.6	-61.6	159.3	0	0	0	109.6	L121 L123 S130 I133 V147	L121-I149 WeakPolarHBondContact O-CA 3.41Å; L123-I149 HydrophobicContact CD1-CG2 3.58Å; L123-I149 HydrophobicContact CG-CG2 4Å; S130-I149 WeakPolarHBondContact OG-CG2 3.39Å; I133-I149 HydrophobicContact CB-CD1 4.04Å; I133-I149 HydrophobicContact CD1-CD1 3.79Å; I133-I149 HydrophobicContact CG2-CD1 3.55Å; V147-I149 HydrophobicContact CG1-CG1 4.45Å; V147-I149 PolarHBondContact O-N 3.13Å
150	Q	86.7	Confident	73.9	Confident	35 Å²	35	58 Å²	58	16%	0.164	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.4	171.2	-63.1	-179	33.8	0	0	109.4	L121 H122 L123 H152	L121-Q150 PolarHBondContact O-N 3.27Å; H122-Q150 CarbonylContact C-O 3.53Å; H122-Q150 WeakPolarHBondContact CA-O 3.35Å; H122-Q150 VanDerWaalsContact CE1-CD 3.47Å; H122-Q150 PolarHBondContact CE1-OE1 3.07Å; L123-Q150 PolarHBondContact N-O 3.05Å; Q150-H152 PolarHBondContact O-CD2 2.87Å
151	E	88.5	Confident	75	Confident	17 Å²	17	58.4 Å²	58.4	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	139.5	177.5	-65	177.6	-173.8	0	0	111.1	L123 G128 I129 S130 Y153	L123-E151 CarbonylContact O-C 3.59Å; L123-E151 WeakPolarHBondContact O-CA 3.32Å; G128-E151 PolarHBondContact N-OE2 3.37Å; I129-E151 HydrophobicContact CG2-CG 4.14Å; I129-E151 PolarHBondContact N-OE1 3.1Å; I129-E151 VanDerWaalsContact N-OE1 3.16Å; S130-E151 WeakPolarHBondContact CA-OE1 3.32Å; S130-E151 WeakPolarHBondContact CB-OE1 3.38Å; S130-E151 PolarHBondContact N-OE1 3.35Å; S130-E151 WeakPolarHBondContact OG-CG 3.17Å; S130-E151 PolarHBondContact OG-OE1 2.73Å; E151-Y153 HydrophobicContact CB-CD1 4.11Å; E151-Y153 HydrophobicContact CB-CE1 3.97Å
152	H	86.4	Confident	76.2	Confident	34 Å²	34	57.5 Å²	57.5	16%	0.157	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119.4	177.8	-58.1	-92.6	0	0	0	108.7	H122 L123 H124 G125 Q150	H122-H152 AromaticContact CE1-NE2 3.96Å; H122-H152 AromaticContact CG-NE2 3.8Å; H122-H152 AromaticContact ND1-CD2 3.93Å; H122-H152 AromaticContact ND1-CE1 3.69Å; H122-H152 AromaticContact ND1-NE2 2.99Å; H122-H152 PolarHBondContact ND1-NE2 2.97Å; L123-H152 PolarHBondContact O-N 2.87Å; H124-H152 CarbonylContact C-O 3.51Å; H124-H152 VanDerWaalsContact CA-O 3.31Å; H124-H152 WeakPolarHBondContact CA-O 3.32Å; H124-H152 AromaticContact CE1-CD2 3.78Å; H124-H152 AromaticContact CE1-CG 3.78Å; H124-H152 WeakPolarHBondContact ND1-CB 3.29Å; H124-H152 AromaticContact ND1-CD2 3.73Å; H124-H152 AromaticContact ND1-CG 3.5Å; G125-H152 PolarHBondContact N-O 2.81Å; Q150-H152 PolarHBondContact O-CD2 2.87Å
153	Y	78.2	Confident	78.1	Confident	32 Å²	32	49.4 Å²	49.4	13%	0.125	28%	0.279	C	S	.	.			trans	-155	155.9	179.4	53.2	-95.1	0	0	0	109.7	P127 E151 L177	P127-Y153 HydrophobicContact CB-CD1 3.85Å; P127-Y153 HydrophobicContact CB-CD2 4.1Å; P127-Y153 HydrophobicContact CB-CE1 3.83Å; P127-Y153 HydrophobicContact CB-CE2 4.08Å; P127-Y153 HydrophobicContact CB-CG 3.98Å; E151-Y153 HydrophobicContact CB-CD1 4.11Å; E151-Y153 HydrophobicContact CB-CE1 3.97Å; Y153-L177 HydrophobicContact CD2-CD1 4.34Å; Y153-L177 HydrophobicContact CD2-CD2 4.01Å; Y153-L177 HydrophobicContact CE2-CD2 4.04Å
154	G	69.8	Low	79.9	Confident	11 Å²	11	47.1 Å²	47.1	11%	0.113	26%	0.26	C	S	.	.			trans	154.8	153.4	-179.7	0	0	0	0	0	111.9	Y229	G154-Y229 PolarHBondContact N-OH 3.28Å
155	N	63.3	Low	81.5	Confident	74 Å²	74	46.7 Å²	46.7	40%	0.396	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	133.1	174.6	-71.3	-5.3	0	0	0	109.9	A157 N170	N155-A157 PolarHBondContact O-N 2.83Å; N155-N170 PolarHBondContact OD1-ND2 2.85Å
156	D	60.3	Low	83	Confident	110 Å²	110	44 Å²	44	59%	0.588	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	29.7	178.3	-55.1	-43.7	0	0	0	114.3
157	A	70.9	Confident	84	Confident	26 Å²	26	41.5 Å²	41.5	22%	0.215	21%	0.21	C	C	.	.			trans	-67	153.5	174.7	0	0	0	0	0	110.4	N155 Y168	N155-A157 PolarHBondContact O-N 2.83Å; A157-Y168 HydrophobicContact CB-CG 4.44Å; A157-Y168 WeakPolarHBondContact O-CB 3.49Å; A157-Y168 WeakPolarHBondContact O-CD2 3.47Å; A157-Y168 PolarHBondContact O-N 3.33Å
158	M	84.9	Confident	84.7	Confident	105 Å²	105	41.4 Å²	41.4	52%	0.517	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.2	172.5	-170.9	-178.8	74	0	0	109.3	V166	M158-V166 WeakPolarHBondContact CA-O 3.07Å; M158-V166 WeakPolarHBondContact CG-O 3.36Å
159	Y	91.1	Very high	85	Confident	31 Å²	31	36.6 Å²	36.6	12%	0.122	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.9	168.6	169.4	-95.2	0	0	0	109.5	Y68 H92 F94 H124 D161 H165 V166 Y168	Y68-Y159 HydrophobicContact CE1-CE1 4.42Å; H92-Y159 PolarHBondContact CD2-OH 3.2Å; H92-Y159 AromaticContact CE1-CE2 3.71Å; H92-Y159 AromaticContact CE1-CZ 3.5Å; H92-Y159 PolarHBondContact CE1-OH 2.82Å; H92-Y159 AromaticContact ND1-CE2 3.88Å; H92-Y159 AromaticContact ND1-CZ 3.65Å; H92-Y159 PolarHBondContact ND1-OH 3.22Å; H92-Y159 AromaticContact NE2-CZ 3.89Å; H92-Y159 PolarHBondContact NE2-OH 3.16Å; F94-Y159 HydrophobicContact CE1-CD1 4.27Å; F94-Y159 AromaticContact CZ-CD1 3.82Å; F94-Y159 HydrophobicContact CZ-CD1 3.82Å; F94-Y159 HydrophobicContact CZ-CE1 4.2Å; F94-Y159 HydrophobicContact CZ-CG 4.47Å; H124-Y159 AromaticContact CE1-CD2 3.55Å; H124-Y159 AromaticContact CE1-CG 3.8Å; Y159-D161 HydrophobicContact CE1-CB 4.36Å; Y159-D161 WeakPolarHBondContact OH-CB 3.37Å; Y159-D161 PolarHBondContact OH-OD2 2.99Å; Y159-H165 CarbonylContact O-C 3.57Å; Y159-H165 WeakPolarHBondContact O-CA 3.37Å; Y159-V166 HydrophobicContact CD1-CB 4.4Å; Y159-V166 HydrophobicContact CD1-CG2 4.15Å; Y159-V166 PolarHBondContact N-O 2.73Å; Y159-V166 PolarHBondContact O-N 3.41Å; Y159-Y168 VanDerWaalsContact CB-OH 3.26Å; Y159-Y168 WeakPolarHBondContact CB-OH 3.45Å
160	E	91.2	Very high	85	Confident	93 Å²	93	36.7 Å²	36.7	44%	0.435	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	138	179.4	177.4	179.4	166.6	0	0	110.5	I164 H165 K236	E160-I164 WeakPolarHBondContact CA-O 3.38Å; E160-H165 WeakPolarHBondContact CG-ND1 3.23Å; E160-H165 IonicContact OE1-CE1 2.6Å; E160-H165 PolarHBondContact OE1-CE1 2.8Å; E160-H165 IonicContact OE1-ND1 3.97Å; E160-H165 IonicContact OE2-CE1 2.74Å; E160-H165 PolarHBondContact OE2-CE1 2.94Å; E160-H165 IonicContact OE2-ND1 3.61Å; E160-H165 PolarHBondContact OE2-ND1 2.97Å; E160-K236 VanDerWaalsContact OE1-CE 3.24Å; E160-K236 WeakPolarHBondContact OE1-CE 3.35Å; E160-K236 IonicContact OE1-NZ 3.54Å; E160-K236 PolarHBondContact OE1-NZ 2.81Å
161	D	90.6	Very high	85	Confident	29 Å²	29	35 Å²	35	16%	0.155	18%	0.184	C	C	.	.			trans	-134.7	-168.4	165.8	60.7	36.5	0	0	0	110.7	Y68 Y159 N163 I164 K236	Y68-D161 WeakPolarHBondContact CE1-OD2 3.48Å; Y68-D161 VanDerWaalsContact CZ-OD2 3.29Å; Y68-D161 PolarHBondContact OH-OD1 3.26Å; Y68-D161 PolarHBondContact OH-OD2 3.42Å; Y159-D161 HydrophobicContact CE1-CB 4.36Å; Y159-D161 WeakPolarHBondContact OH-CB 3.37Å; Y159-D161 PolarHBondContact OH-OD2 2.99Å; D161-N163 PolarHBondContact O-N 3.33Å; D161-N163 VanDerWaalsContact O-N 3.15Å; D161-N163 WeakPolarHBondContact OD1-CA 3.47Å; D161-N163 PolarHBondContact OD1-N 3.16Å; D161-I164 PolarHBondContact N-O 2.94Å; D161-I164 VanDerWaalsContact N-O 3.16Å; D161-I164 PolarHBondContact OD1-N 3.02Å; D161-K236 WeakPolarHBondContact O-CD 3.28Å; D161-K236 WeakPolarHBondContact O-CE 3.21Å; D161-K236 PolarHBondContact O-NZ 3Å
162	C	88.1	Confident	84.6	Confident	67 Å²	67	34.4 Å²	34.4	45%	0.453	18%	0.182	S	C	.	.	S	Bend	trans	-62.7	-18.3	-179.8	57.8	0	0	0	0	114.4	T38 K236	T38-C162 CarbonylContact C-O 3.45Å; T38-C162 VanDerWaalsContact C-O 3.25Å; T38-C162 WeakPolarHBondContact CB-O 3.46Å; T38-C162 PolarHBondContact OG1-O 3.02Å; C162-K236 WeakPolarHBondContact O-CD 3.26Å
163	N	92.6	Very high	83.8	Confident	5 Å²	5	35.2 Å²	35.2	3%	0.027	19%	0.191	C	C	.	.	S	Bend	trans	-104.7	-41.3	-174.5	-52.5	-74.8	0	0	0	114.3	P40 T63 S65 A66 Y68 D161 K236	P40-N163 HydrophobicContact CG-CB 4.19Å; T63-N163 HydrophobicContact CG2-CB 4.08Å; S65-N163 PolarHBondContact OG-ND2 2.88Å; S65-N163 PolarHBondContact OG-OD1 3.25Å; A66-N163 WeakPolarHBondContact CB-ND2 3.47Å; Y68-N163 PolarHBondContact OH-ND2 2.87Å; D161-N163 PolarHBondContact O-N 3.33Å; D161-N163 VanDerWaalsContact O-N 3.15Å; D161-N163 WeakPolarHBondContact OD1-CA 3.47Å; D161-N163 PolarHBondContact OD1-N 3.16Å; N163-K236 WeakPolarHBondContact O-CB 3.26Å; N163-K236 PolarHBondContact O-N 3.43Å
164	I	95.1	Very high	82.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	155.6	-169.4	65.4	174.9	0	0	0	112.8	L61 Y68 E160 D161 V166 I233 R234	L61-I164 HydrophobicContact CD2-CD1 4.05Å; L61-I164 HydrophobicContact CD2-CG2 4.33Å; Y68-I164 HydrophobicContact CD1-CD1 3.69Å; Y68-I164 HydrophobicContact CD2-CD1 4.01Å; Y68-I164 HydrophobicContact CE1-CD1 3.5Å; Y68-I164 VanDerWaalsContact CE1-CD1 3.5Å; Y68-I164 HydrophobicContact CE1-CG1 3.99Å; Y68-I164 HydrophobicContact CE2-CD1 3.83Å; Y68-I164 HydrophobicContact CE2-CG1 4.33Å; Y68-I164 HydrophobicContact CE2-CG2 4.48Å; Y68-I164 HydrophobicContact CG-CD1 3.96Å; E160-I164 WeakPolarHBondContact CA-O 3.38Å; D161-I164 PolarHBondContact N-O 2.94Å; D161-I164 VanDerWaalsContact N-O 3.16Å; D161-I164 PolarHBondContact OD1-N 3.02Å; I164-V166 HydrophobicContact CD1-CG2 3.6Å; I164-V166 HydrophobicContact CG1-CG2 4.12Å; I164-I233 HydrophobicContact CB-CG2 4.35Å; I164-I233 HydrophobicContact CD1-CG2 4.26Å; I164-I233 HydrophobicContact CG2-CG2 4.4Å; I164-R234 CarbonylContact C-O 3.52Å; I164-R234 VanDerWaalsContact CA-O 3.31Å; I164-R234 WeakPolarHBondContact CA-O 3.45Å
165	H	94.2	Very high	81.6	Confident	30 Å²	30	39.6 Å²	39.6	14%	0.139	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.1	157.9	-57.4	-91	0	0	0	108.8	Y159 E160 I233 R234 K236	Y159-H165 CarbonylContact O-C 3.57Å; Y159-H165 WeakPolarHBondContact O-CA 3.37Å; E160-H165 WeakPolarHBondContact CG-ND1 3.23Å; E160-H165 IonicContact OE1-CE1 2.6Å; E160-H165 PolarHBondContact OE1-CE1 2.8Å; E160-H165 IonicContact OE1-ND1 3.97Å; E160-H165 IonicContact OE2-CE1 2.74Å; E160-H165 PolarHBondContact OE2-CE1 2.94Å; E160-H165 IonicContact OE2-ND1 3.61Å; E160-H165 PolarHBondContact OE2-ND1 2.97Å; H165-I233 CarbonylContact O-C 3.46Å; H165-I233 WeakPolarHBondContact O-CA 3.43Å; H165-R234 HydrophobicContact CB-CB 4.34Å; H165-R234 PolarHBondContact N-O 3.4Å; H165-R234 PolarHBondContact O-N 2.99Å; H165-K236 WeakPolarHBondContact CE1-CE 3.34Å; H165-K236 WeakPolarHBondContact NE2-CE 3.39Å
166	V	95	Very high	80.1	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.5	174.8	-176.2	0	0	0	0	108.4	F94 M158 Y159 I164 Y168 Y231 L232 I233	F94-V166 HydrophobicContact CD1-CG1 4.16Å; F94-V166 HydrophobicContact CE1-CB 4.07Å; F94-V166 HydrophobicContact CE1-CG1 3.8Å; F94-V166 HydrophobicContact CE1-CG2 4.03Å; F94-V166 HydrophobicContact CZ-CB 4.43Å; F94-V166 HydrophobicContact CZ-CG1 4.49Å; F94-V166 HydrophobicContact CZ-CG2 3.9Å; M158-V166 WeakPolarHBondContact CA-O 3.07Å; M158-V166 WeakPolarHBondContact CG-O 3.36Å; Y159-V166 HydrophobicContact CD1-CB 4.4Å; Y159-V166 HydrophobicContact CD1-CG2 4.15Å; Y159-V166 PolarHBondContact N-O 2.73Å; Y159-V166 PolarHBondContact O-N 3.41Å; I164-V166 HydrophobicContact CD1-CG2 3.6Å; I164-V166 HydrophobicContact CG1-CG2 4.12Å; V166-Y168 HydrophobicContact CB-CE2 4.16Å; V166-Y168 HydrophobicContact CG1-CD2 4.25Å; V166-Y168 HydrophobicContact CG1-CE2 3.89Å; V166-Y168 WeakPolarHBondContact O-CD2 3.18Å; V166-Y168 WeakPolarHBondContact O-CE2 3.49Å; V166-Y231 HydrophobicContact CG1-CD1 3.77Å; V166-Y231 HydrophobicContact CG1-CG 4.38Å; V166-L232 WeakPolarHBondContact CA-O 3.29Å; V166-I233 HydrophobicContact CG1-CG1 4.4Å; V166-I233 HydrophobicContact CG2-CG1 4.27Å; V166-I233 HydrophobicContact CG2-CG2 4.38Å
167	H	92.1	Very high	78.9	Confident	40 Å²	40	42.8 Å²	42.8	19%	0.185	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.3	172.7	-160.8	-81.5	0	0	0	110	F169 Y231 L232	H167-F169 HydrophobicContact CB-CE2 4.26Å; H167-F169 HydrophobicContact CB-CZ 4.29Å; H167-F169 AromaticContact CE1-CE1 3.65Å; H167-F169 AromaticContact CE1-CZ 3.91Å; H167-F169 AromaticContact CG-CZ 3.92Å; H167-F169 AromaticContact ND1-CD1 3.89Å; H167-F169 AromaticContact ND1-CE1 3.31Å; H167-F169 VanDerWaalsContact ND1-CE1 3.31Å; H167-F169 WeakPolarHBondContact ND1-CE1 3.41Å; H167-F169 AromaticContact ND1-CE2 3.63Å; H167-F169 AromaticContact ND1-CZ 3.16Å; H167-F169 WeakPolarHBondContact ND1-CZ 3.23Å; H167-Y231 WeakPolarHBondContact O-CA 3.47Å; H167-L232 HydrophobicContact CB-CB 4.33Å; H167-L232 PolarHBondContact N-O 3.48Å; H167-L232 PolarHBondContact O-N 2.86Å
168	Y	90.3	Very high	76.7	Confident	5 Å²	5	47.7 Å²	47.7	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132	-172	-61.9	-131.3	0	0	0	107.2	F94 H124 A157 Y159 V166 Y229 Y231	F94-Y168 WeakPolarHBondContact CE1-OH 3.09Å; H124-Y168 HydrophobicContact CB-CE1 4.01Å; H124-Y168 PolarHBondContact CE1-OH 3.48Å; H124-Y168 PolarHBondContact ND1-OH 2.84Å; A157-Y168 HydrophobicContact CB-CG 4.44Å; A157-Y168 WeakPolarHBondContact O-CB 3.49Å; A157-Y168 WeakPolarHBondContact O-CD2 3.47Å; A157-Y168 PolarHBondContact O-N 3.33Å; Y159-Y168 VanDerWaalsContact CB-OH 3.26Å; Y159-Y168 WeakPolarHBondContact CB-OH 3.45Å; V166-Y168 HydrophobicContact CB-CE2 4.16Å; V166-Y168 HydrophobicContact CG1-CD2 4.25Å; V166-Y168 HydrophobicContact CG1-CE2 3.89Å; V166-Y168 WeakPolarHBondContact O-CD2 3.18Å; V166-Y168 WeakPolarHBondContact O-CE2 3.49Å; Y168-Y229 HydrophobicContact CD1-CD1 4.39Å; Y168-Y231 HydrophobicContact CD1-CD1 4.29Å; Y168-Y231 AromaticContact CD1-CE1 3.57Å; Y168-Y231 HydrophobicContact CD1-CE1 3.57Å; Y168-Y231 AromaticContact CE1-CE1 3.79Å; Y168-Y231 HydrophobicContact CE1-CE1 3.79Å; Y168-Y231 HydrophobicContact CG-CD1 4.25Å; Y168-Y231 AromaticContact CG-CE1 3.97Å; Y168-Y231 HydrophobicContact CG-CE1 3.97Å
169	F	88.9	Confident	74	Confident	9 Å²	9	50.6 Å²	50.6	4%	0.039	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.3	173	-56.5	-83.3	0	0	0	108.6	H167 L171 Y229 A230 L232 L307 F310 L313	H167-F169 HydrophobicContact CB-CE2 4.26Å; H167-F169 HydrophobicContact CB-CZ 4.29Å; H167-F169 AromaticContact CE1-CE1 3.65Å; H167-F169 AromaticContact CE1-CZ 3.91Å; H167-F169 AromaticContact CG-CZ 3.92Å; H167-F169 AromaticContact ND1-CD1 3.89Å; H167-F169 AromaticContact ND1-CE1 3.31Å; H167-F169 VanDerWaalsContact ND1-CE1 3.31Å; H167-F169 WeakPolarHBondContact ND1-CE1 3.41Å; H167-F169 AromaticContact ND1-CE2 3.63Å; H167-F169 AromaticContact ND1-CZ 3.16Å; H167-F169 WeakPolarHBondContact ND1-CZ 3.23Å; F169-L171 PolarHBondContact O-N 2.87Å; F169-Y229 CarbonylContact O-C 3.56Å; F169-Y229 VanDerWaalsContact O-CA 3.27Å; F169-Y229 WeakPolarHBondContact O-CA 3.46Å; F169-A230 HydrophobicContact CB-CB 4.28Å; F169-A230 HydrophobicContact CD2-CB 4.49Å; F169-A230 PolarHBondContact N-O 2.99Å; F169-A230 PolarHBondContact O-N 3.36Å; F169-L232 HydrophobicContact CE2-CB 3.65Å; F169-L232 HydrophobicContact CZ-CB 4.34Å; F169-L232 HydrophobicContact CZ-CD2 4.45Å; F169-L307 HydrophobicContact CB-CD1 3.71Å; F169-L307 HydrophobicContact CD1-CD1 4.06Å; F169-L307 HydrophobicContact CD1-CD2 3.92Å; F169-L307 HydrophobicContact CE1-CD2 4.45Å; F169-L307 HydrophobicContact CG-CD1 3.99Å; F169-F310 HydrophobicContact CD2-CE1 4.06Å; F169-F310 HydrophobicContact CE2-CD1 4.23Å; F169-F310 AromaticContact CE2-CE1 3.85Å; F169-F310 HydrophobicContact CE2-CE1 3.85Å; F169-F310 HydrophobicContact CZ-CD1 4.33Å; F169-F310 HydrophobicContact CZ-CE1 4.25Å; F169-L313 HydrophobicContact CE1-CD1 3.65Å; F169-L313 HydrophobicContact CZ-CD1 3.45Å; F169-L313 VanDerWaalsContact CZ-CD1 3.45Å
170	N	86.7	Confident	71	Confident	17 Å²	17	53.6 Å²	53.6	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	111.3	178.7	-173.6	2.6	0	0	0	110.1	N155 G172 N228 Y229	N155-N170 PolarHBondContact OD1-ND2 2.85Å; N170-G172 WeakPolarHBondContact OD1-CA 3.19Å; N170-G172 PolarHBondContact OD1-N 2.92Å; N170-N228 CarbonylContact C-O 3.43Å; N170-N228 WeakPolarHBondContact CA-O 3.47Å; N170-N228 PolarHBondContact OD1-O 2.74Å; N170-Y229 HydrophobicContact CB-CD1 4.22Å; N170-Y229 HydrophobicContact CB-CE1 3.86Å
171	L	87.4	Confident	68	Low	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.289	C	S	.	.			trans	-92.6	-5.2	174.4	-54.8	-177.3	0	0	0	112.5	F169 N228 A230 I293 S300 R303 L304 L307	F169-L171 PolarHBondContact O-N 2.87Å; L171-N228 HydrophobicContact CB-CB 4.31Å; L171-N228 PolarHBondContact N-O 3.16Å; L171-A230 HydrophobicContact CD1-CB 3.96Å; L171-A230 HydrophobicContact CG-CB 4.33Å; L171-I293 HydrophobicContact CD1-CG2 4.48Å; L171-S300 WeakPolarHBondContact O-CA 3.31Å; L171-R303 HydrophobicContact CD2-CB 4.34Å; L171-R303 WeakPolarHBondContact O-CD 3.39Å; L171-L304 HydrophobicContact CD2-CB 4.2Å; L171-L304 HydrophobicContact CD2-CD1 4.35Å; L171-L307 HydrophobicContact CD2-CD1 3.8Å
172	G	80.3	Confident	65	Low	4 Å²	4	60.3 Å²	60.3	4%	0.041	31%	0.314	C	S	.	.	S	Bend	trans	-78.9	-171.5	177.4	0	0	0	0	0	113.8	N170 N228 R303	N170-G172 WeakPolarHBondContact OD1-CA 3.19Å; N170-G172 PolarHBondContact OD1-N 2.92Å; G172-N228 PolarHBondContact N-O 3.19Å; G172-R303 VanDerWaalsContact O-CD 3.31Å; G172-R303 WeakPolarHBondContact O-CD 3.32Å; G172-R303 PolarHBondContact O-NE 2.88Å; G172-R303 PolarHBondContact O-NH1 2.86Å
173	S	68	Low	62.2	Low	51 Å²	51	60.4 Å²	60.4	36%	0.357	31%	0.312	S	S	.	.			trans	-73.3	144.9	175.6	52.5	0	0	0	0	111.8	G175 F225	S173-G175 PolarHBondContact O-N 3.06Å; S173-F225 WeakPolarHBondContact O-CE2 3.21Å
174	D	54.4	Low	59	Low	103 Å²	103	64.7 Å²	64.7	55%	0.551	34%	0.338	S	S	*	.			trans	-72.6	59.5	175.1	-65	-39	0	0	0	111.7	K176 R303	D174-K176 PolarHBondContact O-N 3.19Å; D174-R303 VanDerWaalsContact CG-NH1 3.29Å; D174-R303 IonicContact OD1-CZ 2.77Å; D174-R303 IonicContact OD1-NH1 3.65Å; D174-R303 PolarHBondContact OD1-NH1 3.2Å; D174-R303 IonicContact OD1-NH2 3.76Å; D174-R303 IonicContact OD2-CZ 3.4Å; D174-R303 IonicContact OD2-NH1 3.49Å; D174-R303 PolarHBondContact OD2-NH1 3.1Å; D174-R303 IonicContact OD2-NH2 2.73Å; D174-R303 PolarHBondContact OD2-NH2 3.5Å
175	G	48.3	Very low	55.9	Low	32 Å²	32	66.9 Å²	66.9	33%	0.33	35%	0.354	S	S	.	.			trans	-61.9	121.9	155.8	0	0	0	0	0	107.3	S173 L177	S173-G175 PolarHBondContact O-N 3.06Å; G175-L177 VanDerWaalsContact C-N 3.32Å; G175-L177 PolarHBondContact O-N 3.28Å
176	K	31.8	Very low	52.6	Low	198 Å²	198	69.6 Å²	69.6	86%	0.861	38%	0.376	S	S	*	.			trans	-57	94.7	172.8	-72.9	-175.6	178.1	-179.8	0	109.4	D174 N178	D174-K176 PolarHBondContact O-N 3.19Å; K176-N178 PolarHBondContact O-N 3.2Å
177	L	34.8	Very low	49.2	Very low	53 Å²	53	77.3 Å²	77.3	28%	0.277	41%	0.411	S	S	.	.			trans	-76.6	97.6	164.1	-81.5	166.9	0	0	0	107.2	Y153 G175 Q179 F225	Y153-L177 HydrophobicContact CD2-CD1 4.34Å; Y153-L177 HydrophobicContact CD2-CD2 4.01Å; Y153-L177 HydrophobicContact CE2-CD2 4.04Å; G175-L177 VanDerWaalsContact C-N 3.32Å; G175-L177 PolarHBondContact O-N 3.28Å; L177-Q179 PolarHBondContact O-N 2.98Å; L177-F225 HydrophobicContact CD1-CD1 4.47Å; L177-F225 HydrophobicContact CD1-CE1 3.61Å; L177-F225 HydrophobicContact CD1-CE2 3.98Å; L177-F225 HydrophobicContact CD1-CZ 3.32Å; L177-F225 HydrophobicContact CG-CE1 4.37Å; L177-F225 HydrophobicContact CG-CE2 4.32Å; L177-F225 HydrophobicContact CG-CZ 4.1Å
178	N	25.9	Very low	46	Very low	129 Å²	129	83.9 Å²	83.9	69%	0.69	44%	0.436	S	S	*	.			trans	-68.1	116.7	168.3	-77.1	-23.3	0	0	0	109	K176	K176-N178 PolarHBondContact O-N 3.2Å
179	Q	27.6	Very low	42.8	Very low	167 Å²	167	89 Å²	89	78%	0.78	47%	0.467	S	S	*	.	S	Bend	trans	55.9	139.2	162.2	-63.9	-175.3	4.7	0	0	118.7	L177 H181	L177-Q179 PolarHBondContact O-N 2.98Å; Q179-H181 PolarHBondContact O-N 3.18Å
180	V	28.6	Very low	39.8	Very low	94 Å²	94	93 Å²	93	57%	0.57	50%	0.496	S	S	*	.			trans	-59.8	97.4	169.2	179.1	0	0	0	0	108.7	K182	V180-K182 PolarHBondContact O-N 2.87Å; V180-K182 VanDerWaalsContact O-N 3.12Å
181	H	28	Very low	36.8	Very low	110 Å²	110	98.1 Å²	98.1	51%	0.509	52%	0.52	S	S	.	.			trans	-75.8	99.8	167.7	-79.1	-79.8	0	0	0	108.1	Q179 V183	Q179-H181 PolarHBondContact O-N 3.18Å; H181-V183 HydrophobicContact CB-CG2 4.13Å; H181-V183 PolarHBondContact O-N 3.48Å
182	K	26.2	Very low	33.9	Very low	153 Å²	153	102.6 Å²	102.6	67%	0.665	55%	0.547	S	S	*	.			trans	-64.5	86.2	155.2	-97.6	-176.5	177.6	175.7	0	107.4	V180 T184	V180-K182 PolarHBondContact O-N 2.87Å; V180-K182 VanDerWaalsContact O-N 3.12Å; K182-T184 PolarHBondContact O-N 2.93Å
183	V	29.3	Very low	31.2	Very low	69 Å²	69	110.4 Å²	110.4	42%	0.418	58%	0.58	S	S	.	*			trans	-70	86.2	165.5	-175.9	0	0	0	0	106.6	H181 S185	H181-V183 HydrophobicContact CB-CG2 4.13Å; H181-V183 PolarHBondContact O-N 3.48Å; V183-S185 PolarHBondContact O-N 3.29Å
184	T	25.7	Very low	29.6	Very low	94 Å²	94	111.9 Å²	111.9	58%	0.577	58%	0.583	S	S	*	*			trans	-86.8	89.8	168.3	44	0	0	0	0	106.9	K182 S186	K182-T184 PolarHBondContact O-N 2.93Å; T184-S186 VanDerWaalsContact C-N 3.29Å; T184-S186 PolarHBondContact O-N 2.94Å
185	S	29.5	Very low	28.2	Very low	47 Å²	47	110.2 Å²	110.2	33%	0.329	58%	0.577	S	S	.	*			trans	-74.4	82	178.2	65.1	0	0	0	0	110.3	V183	V183-S185 PolarHBondContact O-N 3.29Å
186	S	26.2	Very low	27.4	Very low	86 Å²	86	113.3 Å²	113.3	60%	0.601	59%	0.591	S	S	*	*	S	Bend	trans	-98.1	-9.8	160.2	65.5	0	0	0	0	112.9	T184	T184-S186 VanDerWaalsContact C-N 3.29Å; T184-S186 PolarHBondContact O-N 2.94Å
187	H	22.6	Very low	27.5	Very low	162 Å²	162	107.7 Å²	107.7	75%	0.75	58%	0.582	S	S	*	*	S	Bend	trans	-127.3	38.7	-172.4	-73.5	75.7	0	0	0	114.7
188	Y	24.5	Very low	27.3	Very low	179 Å²	179	112.1 Å²	112.1	70%	0.702	61%	0.605	S	S	*	*			trans	-113.5	61.7	158	-87.3	-79.9	0	0	0	109	S190 E214	Y188-S190 PolarHBondContact O-N 2.91Å; Y188-E214 PolarHBondContact OH-OE1 3.11Å
189	V	23.7	Very low	27.5	Very low	111 Å²	111	109.4 Å²	109.4	67%	0.673	59%	0.593	S	S	*	*			trans	-66.9	102.5	161.1	179.4	0	0	0	0	106.4	H191	V189-H191 PolarHBondContact O-N 3.28Å
190	S	26.3	Very low	27.7	Very low	93 Å²	93	103.7 Å²	103.7	65%	0.65	57%	0.567	S	S	*	*	S	Bend	trans	27.9	82.4	152.4	63.7	0	0	0	0	116.9	Y188	Y188-S190 PolarHBondContact O-N 2.91Å
191	H	23.7	Very low	27.9	Very low	125 Å²	125	102.5 Å²	102.5	58%	0.579	57%	0.567	S	S	*	*			trans	-137.2	29.6	157.6	-73.6	-58.9	0	0	0	112.9	V189 F193	V189-H191 PolarHBondContact O-N 3.28Å; H191-F193 AromaticContact ND1-CE2 3.91Å; H191-F193 PolarHBondContact O-N 2.65Å
192	V	25.7	Very low	28.2	Very low	94 Å²	94	102.6 Å²	102.6	57%	0.57	58%	0.575	S	S	*	*	S	Bend	trans	-78.8	98	147.4	-178.5	0	0	0	0	104.7	L194	V192-L194 HydrophobicContact CG1-CD1 4.19Å; V192-L194 PolarHBondContact O-N 3.2Å
193	F	25.2	Very low	28.3	Very low	169 Å²	169	101.6 Å²	101.6	74%	0.741	58%	0.576	S	S	*	*			trans	-65.4	84.3	171.4	-76	-90.8	0	0	0	108.7	H191	H191-F193 AromaticContact ND1-CE2 3.91Å; H191-F193 PolarHBondContact O-N 2.65Å
194	L	32.8	Very low	28.3	Very low	81 Å²	81	100.6 Å²	100.6	42%	0.424	58%	0.58	S	S	.	*			trans	-85.9	103.5	144.7	-106.4	92.1	0	0	0	105.4	V192 I207	V192-L194 HydrophobicContact CG1-CD1 4.19Å; V192-L194 PolarHBondContact O-N 3.2Å; L194-I207 HydrophobicContact CD2-CG2 4.34Å
195	V	26.7	Very low	28.3	Very low	69 Å²	69	98.9 Å²	98.9	42%	0.418	58%	0.576	S	S	.	*			trans	-49.8	132.4	168.8	-173.6	0	0	0	0	107.4	A197 V199	V195-A197 PolarHBondContact O-N 2.89Å; V195-V199 HydrophobicContact CG1-CB 3.61Å; V195-V199 HydrophobicContact CG1-CG1 3.9Å; V195-V199 HydrophobicContact CG1-CG2 3.75Å
196	P	31.1	Very low	28.1	Very low	97 Å²	97	103.4 Å²	103.4	63%	0.63	59%	0.591	S	S	*	*			trans	-47.5	132	-173.1	-28.4	33	0	0	0	111	L198 V199	P196-L198 PolarHBondContact O-N 2.85Å; P196-V199 PolarHBondContact O-N 2.74Å
197	A	33.3	Very low	28.3	Very low	80 Å²	80	103.8 Å²	103.8	66%	0.661	59%	0.586	S	S	*	*	H	α-helix	trans	-46.3	-19.1	-171	0	0	0	0	0	115.6	V195 A201	V195-A197 PolarHBondContact O-N 2.89Å; A197-A201 WeakPolarHBondContact O-CB 3.4Å; A197-A201 PolarHBondContact O-N 2.7Å; A197-A201 VanDerWaalsContact O-N 3.07Å
198	L	30.7	Very low	28.3	Very low	146 Å²	146	100.9 Å²	100.9	76%	0.764	58%	0.579	S	S	*	*	H	α-helix	trans	-64.5	-35.3	172.2	-160	71	0	0	0	113.5	P196 V202	P196-L198 PolarHBondContact O-N 2.85Å; L198-V202 WeakPolarHBondContact O-CG2 3.31Å
199	V	30.7	Very low	28.5	Very low	72 Å²	72	96.5 Å²	96.5	44%	0.436	57%	0.567	S	S	.	*	H	α-helix	trans	-77.6	-37.2	179.2	-177.3	0	0	0	0	111.3	V195 P196 V202 L203	V195-V199 HydrophobicContact CG1-CB 3.61Å; V195-V199 HydrophobicContact CG1-CG1 3.9Å; V195-V199 HydrophobicContact CG1-CG2 3.75Å; P196-V199 PolarHBondContact O-N 2.74Å; V199-V202 PolarHBondContact O-N 3.13Å; V199-L203 HydrophobicContact CG1-CD1 4.28Å; V199-L203 PolarHBondContact O-N 2.61Å
200	L	30.4	Very low	28.4	Very low	47 Å²	47	95.9 Å²	95.9	25%	0.246	56%	0.563	C	S	.	*	H	α-helix	trans	-73.1	-35.4	179	-78.1	161.9	0	0	0	112.7	V202 L203 G204 A205	L200-V202 PolarHBondContact O-N 3.37Å; L200-L203 PolarHBondContact O-N 2.89Å; L200-G204 PolarHBondContact O-N 3.48Å; L200-A205 HydrophobicContact CD2-CB 3.9Å
201	A	34.1	Very low	28.3	Very low	68 Å²	68	96.4 Å²	96.4	56%	0.562	57%	0.566	S	S	*	*	H	α-helix	trans	-63.5	-26.5	173.8	0	0	0	0	0	113	A197	A197-A201 WeakPolarHBondContact O-CB 3.4Å; A197-A201 PolarHBondContact O-N 2.7Å; A197-A201 VanDerWaalsContact O-N 3.07Å
202	V	34.4	Very low	28.1	Very low	113 Å²	113	100 Å²	100	69%	0.685	57%	0.574	S	S	*	*	H	α-helix	trans	-81.6	-33	175.4	176.5	0	0	0	0	111.6	L198 V199 L200	L198-V202 WeakPolarHBondContact O-CG2 3.31Å; V199-V202 PolarHBondContact O-N 3.13Å; L200-V202 PolarHBondContact O-N 3.37Å
203	L	28.5	Very low	27.9	Very low	131 Å²	131	104.3 Å²	104.3	69%	0.686	59%	0.585	S	S	*	*	H	α-helix	trans	-104	-3.3	-172.8	-66.5	175.7	0	0	0	116.1	V199 L200 A205	V199-L203 HydrophobicContact CG1-CD1 4.28Å; V199-L203 PolarHBondContact O-N 2.61Å; L200-L203 PolarHBondContact O-N 2.89Å; L203-A205 PolarHBondContact O-N 2.73Å; L203-A205 VanDerWaalsContact O-N 3.12Å
204	G	28.6	Very low	27.9	Very low	48 Å²	48	101.9 Å²	101.9	50%	0.495	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	62.6	22.5	170.7	0	0	0	0	0	115.5	L200	L200-G204 PolarHBondContact O-N 3.48Å
205	A	25.7	Very low	27.5	Very low	59 Å²	59	106.7 Å²	106.7	49%	0.488	60%	0.602	S	S	.	*			trans	-88.2	145.1	179.8	0	0	0	0	0	112.3	L200 L203	L200-A205 HydrophobicContact CD2-CB 3.9Å; L203-A205 PolarHBondContact O-N 2.73Å; L203-A205 VanDerWaalsContact O-N 3.12Å
206	E	26.3	Very low	27.6	Very low	141 Å²	141	107 Å²	107	66%	0.659	61%	0.608	S	S	*	*			trans	-64.2	144.3	-179.1	-68.8	176.1	171.6	0	0	112.3	V208	E206-V208 PolarHBondContact O-N 3.23Å
207	I	28.5	Very low	27.3	Very low	95 Å²	95	105.1 Å²	105.1	49%	0.487	59%	0.593	S	S	.	*			trans	-72.4	95.3	170.8	-61	172.4	0	0	0	107.5	L194 I209	L194-I207 HydrophobicContact CD2-CG2 4.34Å; I207-I209 HydrophobicContact CG2-CG1 4.38Å
208	V	24.6	Very low	27.1	Very low	101 Å²	101	106 Å²	106	61%	0.612	59%	0.591	S	S	*	*			trans	-88.4	107.4	168.7	-176.1	0	0	0	0	107.9	E206 V210	E206-V208 PolarHBondContact O-N 3.23Å; V208-V210 VanDerWaalsContact C-N 3.35Å; V208-V210 HydrophobicContact CG1-CG2 3.91Å; V208-V210 PolarHBondContact O-N 3.49Å
209	I	27.2	Very low	26.9	Very low	86 Å²	86	109 Å²	109	44%	0.441	59%	0.592	S	S	.	*			trans	-70.1	95.7	167.4	-58.1	175.6	0	0	0	106.9	I207 C211	I207-I209 HydrophobicContact CG2-CG1 4.38Å; I209-C211 PolarHBondContact O-N 3.22Å; I209-C211 VanDerWaalsContact O-N 3.07Å
210	V	22.1	Very low	26.6	Very low	98 Å²	98	109.9 Å²	109.9	59%	0.594	60%	0.598	S	S	*	*			trans	-78.4	91.7	172.8	-174.6	0	0	0	0	108.1	V208 R212	V208-V210 VanDerWaalsContact C-N 3.35Å; V208-V210 HydrophobicContact CG1-CG2 3.91Å; V208-V210 PolarHBondContact O-N 3.49Å; V210-R212 PolarHBondContact O-N 2.98Å; V210-R212 VanDerWaalsContact O-N 3.13Å
211	C	23.4	Very low	26.6	Very low	104 Å²	104	111.6 Å²	111.6	70%	0.703	62%	0.619	S	S	*	*			trans	-62.7	110.9	160.2	-71.1	0	0	0	0	107.3	I209 K213	I209-C211 PolarHBondContact O-N 3.22Å; I209-C211 VanDerWaalsContact O-N 3.07Å; C211-K213 PolarHBondContact O-N 2.82Å; C211-K213 VanDerWaalsContact O-N 3.13Å
212	R	21.1	Very low	26.2	Very low	202 Å²	202	112.9 Å²	112.9	76%	0.762	62%	0.624	S	S	*	*			trans	-54.4	123.7	169	-112.7	-176.7	-179.8	175.8	0.6	107.3	V210 E214	V210-R212 PolarHBondContact O-N 2.98Å; V210-R212 VanDerWaalsContact O-N 3.13Å; R212-E214 VanDerWaalsContact C-N 3.27Å; R212-E214 PolarHBondContact O-N 2.78Å
213	K	21.6	Very low	26	Very low	183 Å²	183	113.2 Å²	113.2	80%	0.796	63%	0.629	S	S	*	*			trans	-61.1	94.5	162.9	-74.1	-179	176.8	179	0	106.9	C211	C211-K213 PolarHBondContact O-N 2.82Å; C211-K213 VanDerWaalsContact O-N 3.13Å
214	E	24.6	Very low	26.5	Very low	119 Å²	119	111.6 Å²	111.6	56%	0.556	63%	0.628	S	S	*	*			trans	-57.3	146	144.7	-77.5	-173.7	169.7	0	0	106.6	Y188 R212 S216	Y188-E214 PolarHBondContact OH-OE1 3.11Å; R212-E214 VanDerWaalsContact C-N 3.27Å; R212-E214 PolarHBondContact O-N 2.78Å; E214-S216 PolarHBondContact O-N 3.24Å
215	N	24.5	Very low	27.3	Very low	181 Å²	181	112 Å²	112	97%	0.968	62%	0.616	S	S	*	*	S	Bend	trans	-60.5	16.3	-178.7	-92.7	-16.6	0	0	0	114.7	D217	N215-D217 PolarHBondContact O-N 3.48Å
216	S	28.1	Very low	29.1	Very low	76 Å²	76	113.4 Å²	113.4	53%	0.531	61%	0.613	S	S	.	*	S	Bend	trans	-82	105.8	159.5	57.5	0	0	0	0	109.1	E214 P218	E214-S216 PolarHBondContact O-N 3.24Å; S216-P218 WeakPolarHBondContact O-CD 3.45Å
217	D	25.1	Very low	31.5	Very low	58 Å²	58	106.8 Å²	106.8	31%	0.31	58%	0.582	S	S	.	*			trans	-47.9	120.2	169.2	-175.9	-12.6	0	0	0	109.6	N215 R219 T220	N215-D217 PolarHBondContact O-N 3.48Å; D217-R219 PolarHBondContact O-N 2.82Å; D217-R219 VanDerWaalsContact OD1-CB 3.24Å; D217-R219 WeakPolarHBondContact OD1-CB 3.13Å; D217-R219 WeakPolarHBondContact OD1-CG 3.46Å; D217-R219 IonicContact OD1-CZ 2.65Å; D217-R219 PolarHBondContact OD1-N 3.42Å; D217-R219 IonicContact OD1-NE 2.72Å; D217-R219 PolarHBondContact OD1-NE 3.13Å; D217-R219 IonicContact OD1-NH2 3.69Å; D217-R219 IonicContact OD2-CZ 3.08Å; D217-R219 IonicContact OD2-NE 3.57Å; D217-R219 PolarHBondContact OD2-NE 3.18Å; D217-R219 VanDerWaalsContact OD2-NE 3.11Å; D217-R219 IonicContact OD2-NH2 3.55Å; D217-R219 PolarHBondContact OD2-NH2 3.11Å; D217-T220 HydrophobicContact CB-CG2 3.97Å; D217-T220 WeakPolarHBondContact O-CA 3.41Å; D217-T220 WeakPolarHBondContact O-CB 3.44Å; D217-T220 PolarHBondContact O-N 2.81Å; D217-T220 PolarHBondContact O-OG1 2.78Å
218	P	29.7	Very low	34.4	Very low	97 Å²	97	102.4 Å²	102.4	63%	0.63	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-62.8	-11.3	177.6	21.6	-30.1	0	0	0	113.3	S216	S216-P218 WeakPolarHBondContact O-CD 3.45Å
219	R	25.6	Very low	37.6	Very low	209 Å²	209	97.6 Å²	97.6	79%	0.789	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-76.7	-9.4	167.7	-59.7	171.6	-66.8	-178.6	6.3	113.3	D217	D217-R219 PolarHBondContact O-N 2.82Å; D217-R219 VanDerWaalsContact OD1-CB 3.24Å; D217-R219 WeakPolarHBondContact OD1-CB 3.13Å; D217-R219 WeakPolarHBondContact OD1-CG 3.46Å; D217-R219 IonicContact OD1-CZ 2.65Å; D217-R219 PolarHBondContact OD1-N 3.42Å; D217-R219 IonicContact OD1-NE 2.72Å; D217-R219 PolarHBondContact OD1-NE 3.13Å; D217-R219 IonicContact OD1-NH2 3.69Å; D217-R219 IonicContact OD2-CZ 3.08Å; D217-R219 IonicContact OD2-NE 3.57Å; D217-R219 PolarHBondContact OD2-NE 3.18Å; D217-R219 VanDerWaalsContact OD2-NE 3.11Å; D217-R219 IonicContact OD2-NH2 3.55Å; D217-R219 PolarHBondContact OD2-NH2 3.11Å
220	T	25.1	Very low	40.7	Very low	91 Å²	91	93.5 Å²	93.5	56%	0.558	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-93.4	3.1	172.7	63.8	0	0	0	0	113.6	D217 S222	D217-T220 HydrophobicContact CB-CG2 3.97Å; D217-T220 WeakPolarHBondContact O-CA 3.41Å; D217-T220 WeakPolarHBondContact O-CB 3.44Å; D217-T220 PolarHBondContact O-N 2.81Å; D217-T220 PolarHBondContact O-OG1 2.78Å; T220-S222 PolarHBondContact O-N 3.05Å; T220-S222 PolarHBondContact O-OG 3.45Å
221	A	30.5	Very low	44.2	Very low	83 Å²	83	88.8 Å²	88.8	69%	0.686	48%	0.481	S	S	*	.	S	Bend	trans	-70.3	79.3	155	0	0	0	0	0	107.9
222	S	25.1	Very low	47.6	Very low	96 Å²	96	83.9 Å²	83.9	67%	0.671	45%	0.448	S	S	*	.			trans	-45.3	143.7	171.3	-21.2	0	0	0	0	110	T220 S224	T220-S222 PolarHBondContact O-N 3.05Å; T220-S222 PolarHBondContact O-OG 3.45Å; S222-S224 PolarHBondContact O-N 2.95Å
223	P	29.6	Very low	51.2	Low	120 Å²	120	74.2 Å²	74.2	78%	0.779	41%	0.412	S	S	*	.	S	Bend	trans	-56.4	130.2	-178.3	-17.1	28.1	0	0	0	111.3	F225	P223-F225 PolarHBondContact O-N 2.93Å
224	S	38.9	Very low	54.7	Low	97 Å²	97	66.8 Å²	66.8	68%	0.678	38%	0.378	S	S	*	.			trans	46.8	69.2	157.4	61.7	0	0	0	0	116.6	S222 Q226	S222-S224 PolarHBondContact O-N 2.95Å; S224-Q226 VanDerWaalsContact C-N 3.31Å; S224-Q226 PolarHBondContact O-N 3.38Å; S224-Q226 VanDerWaalsContact O-N 3.14Å
225	F	45.4	Very low	58.1	Low	55 Å²	55	61.1 Å²	61.1	24%	0.241	35%	0.352	C	S	.	.			trans	-71	96.8	146.6	-177.3	-96.5	0	0	0	107.1	P127 S173 L177 P223 A227	P127-F225 HydrophobicContact CG-CD1 4.38Å; S173-F225 WeakPolarHBondContact O-CE2 3.21Å; L177-F225 HydrophobicContact CD1-CD1 4.47Å; L177-F225 HydrophobicContact CD1-CE1 3.61Å; L177-F225 HydrophobicContact CD1-CE2 3.98Å; L177-F225 HydrophobicContact CD1-CZ 3.32Å; L177-F225 HydrophobicContact CG-CE1 4.37Å; L177-F225 HydrophobicContact CG-CE2 4.32Å; L177-F225 HydrophobicContact CG-CZ 4.1Å; P223-F225 PolarHBondContact O-N 2.93Å; F225-A227 HydrophobicContact CD1-CB 4.12Å; F225-A227 HydrophobicContact CE1-CB 3.69Å; F225-A227 PolarHBondContact O-N 3.28Å
226	Q	63.4	Low	61.4	Low	90 Å²	90	53.5 Å²	53.5	42%	0.421	31%	0.31	S	S	.	.			trans	-86.9	92.1	173.3	-160.2	173.4	6.1	0	0	107.6	S224 N228	S224-Q226 VanDerWaalsContact C-N 3.31Å; S224-Q226 PolarHBondContact O-N 3.38Å; S224-Q226 VanDerWaalsContact O-N 3.14Å; Q226-N228 PolarHBondContact O-N 3.31Å
227	A	77.6	Confident	64.4	Low	2 Å²	2	51.1 Å²	51.1	2%	0.017	29%	0.291	C	S	.	.			trans	-52.5	116.5	174	0	0	0	0	0	109.3	R97 G98 G125 F225 Y229	R97-A227 VanDerWaalsContact CA-O 3.31Å; R97-A227 WeakPolarHBondContact CA-O 3.26Å; G98-A227 PolarHBondContact N-O 2.86Å; G125-A227 VanDerWaalsContact O-CB 3.3Å; G125-A227 WeakPolarHBondContact O-CB 3.37Å; F225-A227 HydrophobicContact CD1-CB 4.12Å; F225-A227 HydrophobicContact CE1-CB 3.69Å; F225-A227 PolarHBondContact O-N 3.28Å; A227-Y229 HydrophobicContact CB-CD2 4.45Å; A227-Y229 HydrophobicContact CB-CE2 3.99Å
228	N	89.2	Confident	67.4	Low	2 Å²	2	49.9 Å²	49.9	1%	0.011	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-133.8	119.1	175.2	-176.1	-4.1	0	0	0	107.7	T96 N170 L171 G172 Q226 E294 A296 S300	T96-N228 CarbonylContact O-C 3.59Å; T96-N228 WeakPolarHBondContact O-CA 3.4Å; T96-N228 PolarHBondContact O-OD1 2.93Å; N170-N228 CarbonylContact C-O 3.43Å; N170-N228 WeakPolarHBondContact CA-O 3.47Å; N170-N228 PolarHBondContact OD1-O 2.74Å; L171-N228 HydrophobicContact CB-CB 4.31Å; L171-N228 PolarHBondContact N-O 3.16Å; G172-N228 PolarHBondContact N-O 3.19Å; Q226-N228 PolarHBondContact O-N 3.31Å; N228-E294 PolarHBondContact ND2-O 3.47Å; N228-E294 PolarHBondContact OD1-O 3.4Å; N228-A296 PolarHBondContact ND2-N 3.06Å; N228-S300 WeakPolarHBondContact ND2-CB 3.39Å; N228-S300 PolarHBondContact ND2-OG 3.46Å
229	Y	90.9	Very high	70	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.8	-175.1	-70.4	-84.2	0	0	0	111.5	T96 G125 G154 Y168 F169 N170 A227	T96-Y229 PolarHBondContact O-N 3Å; G125-Y229 VanDerWaalsContact O-CD2 3.27Å; G125-Y229 WeakPolarHBondContact O-CD2 3.3Å; G125-Y229 WeakPolarHBondContact O-CE2 3.5Å; G154-Y229 PolarHBondContact N-OH 3.28Å; Y168-Y229 HydrophobicContact CD1-CD1 4.39Å; F169-Y229 CarbonylContact O-C 3.56Å; F169-Y229 VanDerWaalsContact O-CA 3.27Å; F169-Y229 WeakPolarHBondContact O-CA 3.46Å; N170-Y229 HydrophobicContact CB-CD1 4.22Å; N170-Y229 HydrophobicContact CB-CE1 3.86Å; A227-Y229 HydrophobicContact CB-CD2 4.45Å; A227-Y229 HydrophobicContact CB-CE2 3.99Å
230	A	93	Very high	72.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	147.4	155.4	0	0	0	0	0	109.8	F169 L171 I292 I293	F169-A230 HydrophobicContact CB-CB 4.28Å; F169-A230 HydrophobicContact CD2-CB 4.49Å; F169-A230 PolarHBondContact N-O 2.99Å; F169-A230 PolarHBondContact O-N 3.36Å; L171-A230 HydrophobicContact CD1-CB 3.96Å; L171-A230 HydrophobicContact CG-CB 4.33Å; A230-I292 CarbonylContact C-O 3.5Å; A230-I292 WeakPolarHBondContact CA-O 3.37Å; A230-I293 HydrophobicContact CB-CG1 4.23Å; A230-I293 HydrophobicContact CB-CG2 4.46Å
231	Y	94.9	Very high	75.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.6	-179.6	-62.7	-69.7	0	0	0	110.5	F70 F94 F95 T96 G125 V166 H167 Y168 A291 I292	F70-Y231 HydrophobicContact CD1-CD2 4.24Å; F70-Y231 HydrophobicContact CE1-CD2 4.4Å; F70-Y231 HydrophobicContact CE1-CG 4.48Å; F94-Y231 HydrophobicContact CB-CD2 4.49Å; F94-Y231 HydrophobicContact CB-CE1 4.45Å; F94-Y231 HydrophobicContact CB-CE2 4.01Å; F94-Y231 HydrophobicContact CD1-CD1 4.37Å; F94-Y231 HydrophobicContact CD1-CE1 4.03Å; F95-Y231 PolarHBondContact O-OH 3.08Å; T96-Y231 HydrophobicContact CG2-CD2 3.96Å; T96-Y231 HydrophobicContact CG2-CE2 3.87Å; G125-Y231 WeakPolarHBondContact CA-OH 3.24Å; V166-Y231 HydrophobicContact CG1-CD1 3.77Å; V166-Y231 HydrophobicContact CG1-CG 4.38Å; H167-Y231 WeakPolarHBondContact O-CA 3.47Å; Y168-Y231 HydrophobicContact CD1-CD1 4.29Å; Y168-Y231 AromaticContact CD1-CE1 3.57Å; Y168-Y231 HydrophobicContact CD1-CE1 3.57Å; Y168-Y231 AromaticContact CE1-CE1 3.79Å; Y168-Y231 HydrophobicContact CE1-CE1 3.79Å; Y168-Y231 HydrophobicContact CG-CD1 4.25Å; Y168-Y231 AromaticContact CG-CE1 3.97Å; Y168-Y231 HydrophobicContact CG-CE1 3.97Å; Y231-A291 CarbonylContact O-C 3.54Å; Y231-A291 WeakPolarHBondContact O-CA 3.44Å; Y231-I292 PolarHBondContact N-O 2.93Å; Y231-I292 PolarHBondContact O-N 3.36Å
232	L	95.6	Very high	78.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	115	165	175	61	0	0	0	108.7	V166 H167 F169 R234 A289 A291 F310 L313 L314 L320	V166-L232 WeakPolarHBondContact CA-O 3.29Å; H167-L232 HydrophobicContact CB-CB 4.33Å; H167-L232 PolarHBondContact N-O 3.48Å; H167-L232 PolarHBondContact O-N 2.86Å; F169-L232 HydrophobicContact CE2-CB 3.65Å; F169-L232 HydrophobicContact CZ-CB 4.34Å; F169-L232 HydrophobicContact CZ-CD2 4.45Å; L232-R234 HydrophobicContact CG-CG 4.47Å; L232-A289 HydrophobicContact CD1-CB 4.47Å; L232-A291 HydrophobicContact CD1-CB 4.34Å; L232-F310 HydrophobicContact CD1-CB 4.41Å; L232-F310 HydrophobicContact CD2-CB 4.22Å; L232-F310 HydrophobicContact CD2-CD1 4.49Å; L232-L313 HydrophobicContact CD2-CB 4.2Å; L232-L314 HydrophobicContact CD1-CD2 4.38Å; L232-L314 HydrophobicContact CD2-CD2 4.26Å; L232-L320 HydrophobicContact CD1-CD1 4.03Å
233	I	96.9	Very high	81.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.8	-174.8	-55.5	86.8	0	0	0	108.6	L61 F70 I164 H165 V166 A289 F290 I292	L61-I233 HydrophobicContact CD2-CG2 3.95Å; F70-I233 HydrophobicContact CE1-CD1 4.16Å; F70-I233 HydrophobicContact CE1-CG1 4.22Å; F70-I233 HydrophobicContact CZ-CD1 4.14Å; F70-I233 HydrophobicContact CZ-CG1 3.87Å; I164-I233 HydrophobicContact CB-CG2 4.35Å; I164-I233 HydrophobicContact CD1-CG2 4.26Å; I164-I233 HydrophobicContact CG2-CG2 4.4Å; H165-I233 CarbonylContact O-C 3.46Å; H165-I233 WeakPolarHBondContact O-CA 3.43Å; V166-I233 HydrophobicContact CG1-CG1 4.4Å; V166-I233 HydrophobicContact CG2-CG1 4.27Å; V166-I233 HydrophobicContact CG2-CG2 4.38Å; I233-A289 CarbonylContact O-C 3.59Å; I233-A289 WeakPolarHBondContact O-CA 3.47Å; I233-A289 WeakPolarHBondContact O-CB 3.31Å; I233-F290 HydrophobicContact CB-CD1 3.95Å; I233-F290 HydrophobicContact CB-CE1 3.59Å; I233-F290 HydrophobicContact CB-CZ 3.92Å; I233-F290 HydrophobicContact CD1-CD2 4.26Å; I233-F290 HydrophobicContact CD1-CE1 4.43Å; I233-F290 HydrophobicContact CD1-CE2 3.87Å; I233-F290 HydrophobicContact CD1-CZ 3.95Å; I233-F290 HydrophobicContact CG1-CE1 4.19Å; I233-F290 HydrophobicContact CG1-CE2 4.41Å; I233-F290 HydrophobicContact CG1-CZ 3.98Å; I233-F290 HydrophobicContact CG2-CD1 4.26Å; I233-F290 HydrophobicContact CG2-CE1 3.59Å; I233-F290 HydrophobicContact CG2-CZ 4.11Å; I233-F290 PolarHBondContact N-O 2.81Å; I233-F290 PolarHBondContact O-N 3.2Å; I233-I292 HydrophobicContact CD1-CD1 4.05Å; I233-I292 HydrophobicContact CD1-CG1 4.01Å
234	R	95.8	Very high	84.6	Confident	26 Å²	26	35.1 Å²	35.1	10%	0.098	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.6	-179.7	-55.9	164.3	-165.3	140.3	-3.5	108.7	I164 H165 L232 A289 L313 E318	I164-R234 CarbonylContact C-O 3.52Å; I164-R234 VanDerWaalsContact CA-O 3.31Å; I164-R234 WeakPolarHBondContact CA-O 3.45Å; H165-R234 HydrophobicContact CB-CB 4.34Å; H165-R234 PolarHBondContact N-O 3.4Å; H165-R234 PolarHBondContact O-N 2.99Å; L232-R234 HydrophobicContact CG-CG 4.47Å; R234-A289 HydrophobicContact CB-CB 4.46Å; R234-A289 HydrophobicContact CG-CB 4.01Å; R234-L313 PolarHBondContact NH2-O 3.23Å; R234-E318 IonicContact NE-OE2 3.02Å
235	V	95.6	Very high	87.1	Confident	1 Å²	1	38 Å²	38	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	129.1	175.9	-177.7	0	0	0	0	108.7	P40 A43 C287 P288 L412	P40-V235 HydrophobicContact CG-CG1 3.79Å; A43-V235 HydrophobicContact CB-CG1 4.03Å; A43-V235 HydrophobicContact CB-CG2 4.15Å; V235-C287 WeakPolarHBondContact O-CB 3.06Å; V235-P288 HydrophobicContact CB-CG 3.9Å; V235-P288 WeakPolarHBondContact CB-O 3.43Å; V235-P288 HydrophobicContact CG1-CG 4.48Å; V235-P288 HydrophobicContact CG2-CG 4.15Å; V235-P288 PolarHBondContact N-O 2.69Å; V235-L412 HydrophobicContact CG2-CB 4.44Å; V235-L412 HydrophobicContact CG2-CD1 3.9Å
236	K	94.1	Very high	89.4	Confident	20 Å²	20	39.6 Å²	39.6	9%	0.087	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-63.9	159.3	-179	-74	179.6	162	-168.9	0	112.8	G39 E160 D161 C162 N163 H165 K238 R413	G39-K236 WeakPolarHBondContact CA-O 3.17Å; E160-K236 VanDerWaalsContact OE1-CE 3.24Å; E160-K236 WeakPolarHBondContact OE1-CE 3.35Å; E160-K236 IonicContact OE1-NZ 3.54Å; E160-K236 PolarHBondContact OE1-NZ 2.81Å; D161-K236 WeakPolarHBondContact O-CD 3.28Å; D161-K236 WeakPolarHBondContact O-CE 3.21Å; D161-K236 PolarHBondContact O-NZ 3Å; C162-K236 WeakPolarHBondContact O-CD 3.26Å; N163-K236 WeakPolarHBondContact O-CB 3.26Å; N163-K236 PolarHBondContact O-N 3.43Å; H165-K236 WeakPolarHBondContact CE1-CE 3.34Å; H165-K236 WeakPolarHBondContact NE2-CE 3.39Å; K236-K238 PolarHBondContact O-N 3.23Å; K236-R413 PolarHBondContact O-NH1 3.33Å; K236-R413 VanDerWaalsContact O-NH1 3.08Å
237	Q	90.7	Very high	90.7	Very high	26 Å²	26	35.5 Å²	35.5	12%	0.121	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-64.8	122.4	178	-168	63.9	48.6	0	0	110.8	Y37 T38 G39 E285 C287	Y37-Q237 HydrophobicContact CD1-CB 3.98Å; Y37-Q237 HydrophobicContact CD1-CG 3.42Å; Y37-Q237 VanDerWaalsContact CD1-CG 3.42Å; Y37-Q237 HydrophobicContact CE1-CB 4.5Å; Y37-Q237 HydrophobicContact CE1-CG 3.62Å; T38-Q237 PolarHBondContact N-O 2.96Å; G39-Q237 WeakPolarHBondContact CA-O 3.41Å; G39-Q237 PolarHBondContact N-O 3.25Å; Q237-E285 PolarHBondContact NE2-O 3.23Å; Q237-E285 PolarHBondContact OE1-O 3.45Å; Q237-C287 VanDerWaalsContact CA-SG 3.54Å; Q237-C287 PolarHBondContact N-SG 3.25Å; Q237-C287 VanDerWaalsContact N-SG 3.37Å; Q237-C287 PolarHBondContact OE1-SG 3.37Å
238	K	88.3	Confident	91.3	Very high	32 Å²	32	40.6 Å²	40.6	14%	0.139	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-65.6	150.3	173.6	59.8	164.2	177.1	165.1	0	110.4	K236 E282 E285	K236-K238 PolarHBondContact O-N 3.23Å; K238-E282 WeakPolarHBondContact CE-OE1 3.35Å; K238-E282 IonicContact NZ-OE1 3.18Å; K238-E282 PolarHBondContact NZ-OE1 3.13Å; K238-E285 VanDerWaalsContact CE-CD 3.44Å; K238-E285 VanDerWaalsContact CE-OE2 3.27Å; K238-E285 WeakPolarHBondContact CE-OE2 3.29Å; K238-E285 IonicContact NZ-OE1 2.73Å; K238-E285 PolarHBondContact NZ-OE1 3.28Å; K238-E285 IonicContact NZ-OE2 3.46Å; K238-E285 PolarHBondContact NZ-OE2 3.42Å
239	P	83.5	Confident	91.4	Very high	60 Å²	60	47.6 Å²	47.6	39%	0.39	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-53.9	123.7	166.2	-25.5	34.8	0	0	0	110.4	Y37 G39	Y37-P239 VanDerWaalsContact CB-CA 3.46Å; G39-P239 WeakPolarHBondContact O-CD 3.24Å
240	P	83.9	Confident	91.3	Very high	6 Å²	6	51 Å²	51	4%	0.039	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-64	145.1	177.2	25.1	-31.5	0	0	0	109.6	Y37 L242 L281	Y37-P240 HydrophobicContact CD2-CG 4.07Å; Y37-P240 HydrophobicContact CE1-CG 4.35Å; Y37-P240 HydrophobicContact CE2-CG 3.79Å; Y37-P240 VanDerWaalsContact CG-CD 3.44Å; Y37-P240 HydrophobicContact CG-CG 4.47Å; P240-L242 PolarHBondContact O-N 2.77Å; P240-L281 HydrophobicContact CB-CB 4.15Å; P240-L281 HydrophobicContact CB-CD1 4.4Å; P240-L281 HydrophobicContact CB-CD2 4.05Å; P240-L281 HydrophobicContact CB-CG 4.42Å; P240-L281 HydrophobicContact CG-CB 4.31Å; P240-L281 HydrophobicContact CG-CD1 3.66Å; P240-L281 HydrophobicContact CG-CD2 3.78Å; P240-L281 HydrophobicContact CG-CG 4.11Å
241	K	86.4	Confident	91.1	Very high	143 Å²	143	58.7 Å²	58.7	62%	0.622	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-69.6	130.1	176.4	-171	-180	175.1	-174.3	0	109.1	L243 E282	K241-L243 PolarHBondContact O-N 3.48Å; K241-E282 HydrophobicContact CB-CB 4.25Å; K241-E282 WeakPolarHBondContact CB-OE2 3.16Å; K241-E282 PolarHBondContact O-N 3.25Å
242	L	89.5	Confident	90.9	Very high	19 Å²	19	59.2 Å²	59.2	10%	0.099	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-73	121.6	171.5	-169.5	68.9	0	0	0	109.5	P240 L244 L258 L261 V280 L281	P240-L242 PolarHBondContact O-N 2.77Å; L242-L244 VanDerWaalsContact C-N 3.33Å; L242-L244 HydrophobicContact CD2-CD2 4.06Å; L242-L244 HydrophobicContact CG-CD2 4.5Å; L242-L244 PolarHBondContact O-N 3.01Å; L242-L258 HydrophobicContact CD2-CB 4Å; L242-L258 HydrophobicContact CD2-CD2 4.05Å; L242-L261 HydrophobicContact CD1-CB 4.05Å; L242-V280 HydrophobicContact CD1-CB 4.33Å; L242-V280 HydrophobicContact CD1-CG2 3.9Å; L242-L281 HydrophobicContact CB-CD2 4.47Å; L242-L281 HydrophobicContact CD1-CD2 3.93Å
243	L	92.1	Very high	90.4	Very high	52 Å²	52	62.4 Å²	62.4	27%	0.272	31%	0.308	S	S	.	.			trans	-78.1	85.4	175.9	-57.6	176.4	0	0	0	108.4	K241 E245 K246 C247 V280 L281 E282	K241-L243 PolarHBondContact O-N 3.48Å; L243-E245 PolarHBondContact O-N 3.23Å; L243-K246 HydrophobicContact CB-CB 4.12Å; L243-K246 HydrophobicContact CB-CD 4.15Å; L243-K246 HydrophobicContact CB-CG 4.04Å; L243-K246 HydrophobicContact CD1-CD 3.68Å; L243-K246 HydrophobicContact CD1-CG 4.35Å; L243-K246 PolarHBondContact O-N 3.31Å; L243-C247 PolarHBondContact O-N 3.29Å; L243-C247 PolarHBondContact O-SG 2.86Å; L243-V280 VanDerWaalsContact CB-O 3.3Å; L243-V280 WeakPolarHBondContact CB-O 3.02Å; L243-V280 PolarHBondContact N-O 2.87Å; L243-L281 WeakPolarHBondContact CD1-O 3.36Å; L243-E282 HydrophobicContact CD2-CB 4.46Å
244	L	90.2	Very high	89.9	Confident	107 Å²	107	69.1 Å²	69.1	56%	0.56	35%	0.349	S	S	*	.	H	α-helix	trans	-54.7	-36.3	-176.7	-68.7	175.6	0	0	0	112.4	L242 K246 C247 V248	L242-L244 VanDerWaalsContact C-N 3.33Å; L242-L244 HydrophobicContact CD2-CD2 4.06Å; L242-L244 HydrophobicContact CG-CD2 4.5Å; L242-L244 PolarHBondContact O-N 3.01Å; L244-K246 PolarHBondContact O-N 3.43Å; L244-C247 WeakPolarHBondContact O-CB 3.35Å; L244-C247 PolarHBondContact O-N 2.84Å; L244-V248 WeakPolarHBondContact O-CB 3.34Å; L244-V248 VanDerWaalsContact O-CG2 3.27Å; L244-V248 WeakPolarHBondContact O-CG2 3.26Å; L244-V248 PolarHBondContact O-N 2.9Å
245	E	92.5	Very high	89.5	Confident	157 Å²	157	69.5 Å²	69.5	73%	0.734	36%	0.361	S	S	*	.	H	α-helix	trans	-60.3	-44.9	176.3	-66.1	173	-169.2	0	0	112	L243 V248 Q249	L243-E245 PolarHBondContact O-N 3.23Å; E245-V248 PolarHBondContact O-N 3.47Å; E245-Q249 VanDerWaalsContact O-CG 3.27Å; E245-Q249 WeakPolarHBondContact O-CG 3.12Å; E245-Q249 PolarHBondContact O-N 3.36Å
246	K	92.3	Very high	89.1	Confident	89 Å²	89	74.9 Å²	74.9	39%	0.387	40%	0.396	S	S	.	.	H	α-helix	trans	-66.6	-38.3	175.2	-66.6	-168.3	-180	175.3	0	112	L243 L244 V248 Q249 Q250 D279 V280	L243-K246 HydrophobicContact CB-CB 4.12Å; L243-K246 HydrophobicContact CB-CD 4.15Å; L243-K246 HydrophobicContact CB-CG 4.04Å; L243-K246 HydrophobicContact CD1-CD 3.68Å; L243-K246 HydrophobicContact CD1-CG 4.35Å; L243-K246 PolarHBondContact O-N 3.31Å; L244-K246 PolarHBondContact O-N 3.43Å; K246-V248 VanDerWaalsContact C-N 3.32Å; K246-V248 PolarHBondContact O-N 3.44Å; K246-Q249 PolarHBondContact O-N 3.05Å; K246-Q250 WeakPolarHBondContact O-CB 3.49Å; K246-Q250 VanDerWaalsContact O-CG 3.27Å; K246-Q250 WeakPolarHBondContact O-CG 3.5Å; K246-Q250 PolarHBondContact O-N 2.79Å; K246-D279 WeakPolarHBondContact CD-O 3.35Å; K246-D279 PolarHBondContact NZ-O 3.38Å; K246-D279 VanDerWaalsContact NZ-O 3.08Å; K246-V280 HydrophobicContact CB-CG1 4.22Å
247	C	91.5	Very high	88.8	Confident	3 Å²	3	75.7 Å²	75.7	2%	0.02	40%	0.401	C	S	.	.	H	α-helix	trans	-61	-43	174.5	-64.5	0	0	0	0	111.5	L243 L244 Q250 K251 V252 L258	L243-C247 PolarHBondContact O-N 3.29Å; L243-C247 PolarHBondContact O-SG 2.86Å; L244-C247 WeakPolarHBondContact O-CB 3.35Å; L244-C247 PolarHBondContact O-N 2.84Å; C247-Q250 PolarHBondContact O-N 3.24Å; C247-K251 PolarHBondContact O-N 3.17Å; C247-K251 VanDerWaalsContact O-N 3.17Å; C247-V252 HydrophobicContact CB-CB 4.27Å; C247-V252 HydrophobicContact CB-CG2 4.44Å; C247-V252 PolarHBondContact O-N 2.96Å; C247-L258 HydrophobicContact CB-CD2 4.01Å
248	V	90.9	Very high	88.7	Confident	109 Å²	109	75.9 Å²	75.9	66%	0.661	40%	0.403	S	S	*	.	H	α-helix	trans	-66.2	-44.1	177	170.8	0	0	0	0	110.9	L244 E245 K246 Q250 K251	L244-V248 WeakPolarHBondContact O-CB 3.34Å; L244-V248 VanDerWaalsContact O-CG2 3.27Å; L244-V248 WeakPolarHBondContact O-CG2 3.26Å; L244-V248 PolarHBondContact O-N 2.9Å; E245-V248 PolarHBondContact O-N 3.47Å; K246-V248 VanDerWaalsContact C-N 3.32Å; K246-V248 PolarHBondContact O-N 3.44Å; V248-Q250 VanDerWaalsContact C-N 3.3Å; V248-Q250 PolarHBondContact O-N 3.27Å; V248-K251 WeakPolarHBondContact O-CA 3.35Å; V248-K251 PolarHBondContact O-N 3.4Å
249	Q	90.6	Very high	88.5	Confident	149 Å²	149	76.3 Å²	76.3	70%	0.696	42%	0.416	S	S	*	.	H	α-helix	trans	-58.5	-41.1	174.6	-73.8	170.7	6.4	0	0	112.1	E245 K246 K251	E245-Q249 VanDerWaalsContact O-CG 3.27Å; E245-Q249 WeakPolarHBondContact O-CG 3.12Å; E245-Q249 PolarHBondContact O-N 3.36Å; K246-Q249 PolarHBondContact O-N 3.05Å; Q249-K251 PolarHBondContact O-N 3.2Å
250	Q	90	Very high	88.7	Confident	71 Å²	71	78.5 Å²	78.5	33%	0.332	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-2.7	176.5	-69.2	-74.1	7.5	0	0	113.6	K246 C247 V248 V252 R273 I275	K246-Q250 WeakPolarHBondContact O-CB 3.49Å; K246-Q250 VanDerWaalsContact O-CG 3.27Å; K246-Q250 WeakPolarHBondContact O-CG 3.5Å; K246-Q250 PolarHBondContact O-N 2.79Å; C247-Q250 PolarHBondContact O-N 3.24Å; V248-Q250 VanDerWaalsContact C-N 3.3Å; V248-Q250 PolarHBondContact O-N 3.27Å; Q250-V252 VanDerWaalsContact C-N 3.3Å; Q250-V252 HydrophobicContact CB-CG2 4.06Å; Q250-V252 PolarHBondContact O-N 2.94Å; Q250-R273 PolarHBondContact O-NH1 3.44Å; Q250-R273 PolarHBondContact O-NH2 3.44Å; Q250-R273 VanDerWaalsContact O-NH2 3.17Å; Q250-I275 HydrophobicContact CB-CD1 4.03Å; Q250-I275 HydrophobicContact CG-CD1 4.34Å
251	K	88.6	Confident	88.9	Confident	162 Å²	162	78.2 Å²	78.2	70%	0.704	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	35.1	-175.8	-54.8	178.9	179.5	176	0	113.6	C247 V248 Q249 P253	C247-K251 PolarHBondContact O-N 3.17Å; C247-K251 VanDerWaalsContact O-N 3.17Å; V248-K251 WeakPolarHBondContact O-CA 3.35Å; V248-K251 PolarHBondContact O-N 3.4Å; Q249-K251 PolarHBondContact O-N 3.2Å; K251-P253 WeakPolarHBondContact O-CD 3.43Å
252	V	89.6	Confident	88.9	Confident	11 Å²	11	75.8 Å²	75.8	7%	0.067	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-69.3	122	173.8	-175.6	0	0	0	0	108.7	C247 Q250 L257 L258 L261 L269 I275	C247-V252 HydrophobicContact CB-CB 4.27Å; C247-V252 HydrophobicContact CB-CG2 4.44Å; C247-V252 PolarHBondContact O-N 2.96Å; Q250-V252 VanDerWaalsContact C-N 3.3Å; Q250-V252 HydrophobicContact CB-CG2 4.06Å; Q250-V252 PolarHBondContact O-N 2.94Å; V252-L257 HydrophobicContact CG1-CB 4.34Å; V252-L258 HydrophobicContact CB-CD2 4.2Å; V252-L258 HydrophobicContact CG1-CD2 3.63Å; V252-L258 HydrophobicContact CG1-CG 4.46Å; V252-L261 HydrophobicContact CG1-CD1 3.85Å; V252-L261 HydrophobicContact CG2-CD1 4.23Å; V252-L269 HydrophobicContact CG1-CD2 4.37Å; V252-I275 HydrophobicContact CG2-CG1 4.06Å; V252-I275 HydrophobicContact CG2-CG2 4.19Å
253	P	85.9	Confident	88.5	Confident	68 Å²	68	76.7 Å²	76.7	44%	0.442	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-68	144.1	-178.9	28	-33.9	0	0	0	111	K251 G255 L257	K251-P253 WeakPolarHBondContact O-CD 3.43Å; P253-G255 PolarHBondContact O-N 3.16Å; P253-L257 HydrophobicContact CG-CD1 3.87Å
254	V	85.7	Confident	88.1	Confident	141 Å²	141	75.4 Å²	75.4	86%	0.855	42%	0.418	S	S	*	.	S	Bend	trans	-65.7	122.1	175.6	-176.5	0	0	0	0	109.2	L258	V254-L258 HydrophobicContact CB-CD1 4.46Å; V254-L258 HydrophobicContact CG1-CD1 4.28Å
255	G	87	Confident	88	Confident	34 Å²	34	74.7 Å²	74.7	35%	0.351	41%	0.414	S	S	.	.	S	Bend	trans	155.6	-158.6	-178.6	0	0	0	0	0	113.6	P253 L257 L258	P253-G255 PolarHBondContact O-N 3.16Å; G255-L257 PolarHBondContact O-N 2.96Å; G255-L258 WeakPolarHBondContact O-CB 3.35Å; G255-L258 PolarHBondContact O-N 3.22Å
256	P	87.3	Confident	88	Confident	113 Å²	113	71.5 Å²	71.5	73%	0.734	40%	0.402	S	S	*	.	H	α-helix	trans	-56.7	-24.7	-176.2	-26.5	34.8	0	0	0	115	L258 G259 K260	P256-L258 VanDerWaalsContact C-N 3.33Å; P256-L258 PolarHBondContact O-N 3.44Å; P256-G259 PolarHBondContact O-N 3.29Å; P256-G259 VanDerWaalsContact O-N 3.17Å; P256-K260 PolarHBondContact O-N 3.03Å; P256-K260 VanDerWaalsContact O-N 3.08Å
257	L	88.3	Confident	88	Confident	38 Å²	38	67.4 Å²	67.4	20%	0.199	39%	0.385	C	S	.	.	H	α-helix	trans	-63.2	-37.4	176.4	-62.3	-174.3	0	0	0	112.3	V252 P253 G255 G259 K260 L261 V267 L269	V252-L257 HydrophobicContact CG1-CB 4.34Å; P253-L257 HydrophobicContact CG-CD1 3.87Å; G255-L257 PolarHBondContact O-N 2.96Å; L257-G259 VanDerWaalsContact C-N 3.28Å; L257-G259 PolarHBondContact O-N 2.86Å; L257-K260 HydrophobicContact CD2-CD 4.38Å; L257-K260 PolarHBondContact O-N 3Å; L257-L261 WeakPolarHBondContact O-CG 3.07Å; L257-L261 PolarHBondContact O-N 3.44Å; L257-V267 HydrophobicContact CB-CG1 4.5Å; L257-V267 HydrophobicContact CD2-CB 4.28Å; L257-V267 HydrophobicContact CD2-CG1 4.3Å; L257-L269 HydrophobicContact CD1-CD2 3.91Å
258	L	88.9	Confident	88	Confident	29 Å²	29	73.6 Å²	73.6	15%	0.152	41%	0.413	C	S	.	.	H	α-helix	trans	-62.9	-37.6	174.1	-62.2	178.6	0	0	0	111.3	L242 C247 V252 V254 G255 P256 L261 Q262	L242-L258 HydrophobicContact CD2-CB 4Å; L242-L258 HydrophobicContact CD2-CD2 4.05Å; C247-L258 HydrophobicContact CB-CD2 4.01Å; V252-L258 HydrophobicContact CB-CD2 4.2Å; V252-L258 HydrophobicContact CG1-CD2 3.63Å; V252-L258 HydrophobicContact CG1-CG 4.46Å; V254-L258 HydrophobicContact CB-CD1 4.46Å; V254-L258 HydrophobicContact CG1-CD1 4.28Å; G255-L258 WeakPolarHBondContact O-CB 3.35Å; G255-L258 PolarHBondContact O-N 3.22Å; P256-L258 VanDerWaalsContact C-N 3.33Å; P256-L258 PolarHBondContact O-N 3.44Å; L258-L261 PolarHBondContact O-N 3.16Å; L258-Q262 VanDerWaalsContact O-CB 3.32Å; L258-Q262 WeakPolarHBondContact O-CB 3.23Å; L258-Q262 PolarHBondContact O-N 3.29Å
259	G	83.7	Confident	87.9	Confident	41 Å²	41	68.9 Å²	68.9	42%	0.423	39%	0.385	S	S	.	.	H	α-helix	trans	-66.1	-37	175.9	0	0	0	0	0	113.1	P256 L257 A263	P256-G259 PolarHBondContact O-N 3.29Å; P256-G259 VanDerWaalsContact O-N 3.17Å; L257-G259 VanDerWaalsContact C-N 3.28Å; L257-G259 PolarHBondContact O-N 2.86Å; G259-A263 WeakPolarHBondContact O-CB 3.44Å; G259-A263 PolarHBondContact O-N 3.32Å
260	K	87.4	Confident	87.7	Confident	106 Å²	106	70 Å²	70	46%	0.461	40%	0.396	S	S	.	.	H	α-helix	trans	-65.3	-47.6	173.1	-70.8	-178.5	-178.5	-180	0	111.5	P256 L257 Q262 A263 G264 L265 V267	P256-K260 PolarHBondContact O-N 3.03Å; P256-K260 VanDerWaalsContact O-N 3.08Å; L257-K260 HydrophobicContact CD2-CD 4.38Å; L257-K260 PolarHBondContact O-N 3Å; K260-Q262 VanDerWaalsContact C-N 3.33Å; K260-Q262 PolarHBondContact O-N 2.95Å; K260-A263 WeakPolarHBondContact O-CB 3.23Å; K260-A263 PolarHBondContact O-N 3.22Å; K260-A263 VanDerWaalsContact O-N 3.09Å; K260-G264 PolarHBondContact O-N 2.93Å; K260-L265 CarbonylContact C-O 3.49Å; K260-L265 HydrophobicContact CB-CB 4.26Å; K260-L265 WeakPolarHBondContact O-CB 3.5Å; K260-L265 PolarHBondContact O-N 3.09Å; K260-V267 HydrophobicContact CB-CG1 3.49Å; K260-V267 VanDerWaalsContact CB-CG1 3.49Å; K260-V267 HydrophobicContact CD-CG1 4.02Å; K260-V267 HydrophobicContact CG-CG1 4.41Å
261	L	89	Confident	87.6	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-57.8	-45.8	175.1	-74.4	166.3	0	0	0	111.4	L242 V252 L257 L258 A263 G264 L265 V267 I275 V280	L242-L261 HydrophobicContact CD1-CB 4.05Å; V252-L261 HydrophobicContact CG1-CD1 3.85Å; V252-L261 HydrophobicContact CG2-CD1 4.23Å; L257-L261 WeakPolarHBondContact O-CG 3.07Å; L257-L261 PolarHBondContact O-N 3.44Å; L258-L261 PolarHBondContact O-N 3.16Å; L261-A263 VanDerWaalsContact C-N 3.27Å; L261-A263 PolarHBondContact O-N 2.83Å; L261-G264 PolarHBondContact O-N 3.38Å; L261-L265 WeakPolarHBondContact CA-O 3.37Å; L261-V267 HydrophobicContact CD1-CG2 3.7Å; L261-V267 HydrophobicContact CD2-CG1 4.3Å; L261-V267 HydrophobicContact CD2-CG2 3.72Å; L261-V267 HydrophobicContact CG-CB 4.42Å; L261-V267 HydrophobicContact CG-CG1 3.94Å; L261-V267 HydrophobicContact CG-CG2 3.61Å; L261-I275 HydrophobicContact CD1-CG2 4.35Å; L261-I275 HydrophobicContact CD2-CB 4.44Å; L261-I275 HydrophobicContact CD2-CG2 4.04Å; L261-V280 HydrophobicContact CB-CG2 4.18Å; L261-V280 HydrophobicContact CD1-CG2 4.13Å; L261-V280 HydrophobicContact CD2-CG2 3.78Å; L261-V280 HydrophobicContact CG-CG2 4.25Å
262	Q	86.1	Confident	87.4	Confident	92 Å²	92	65.4 Å²	65.4	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-62.8	-31.9	176.3	-171.2	174.9	8	0	0	113	L258 K260 G264	L258-Q262 VanDerWaalsContact O-CB 3.32Å; L258-Q262 WeakPolarHBondContact O-CB 3.23Å; L258-Q262 PolarHBondContact O-N 3.29Å; K260-Q262 VanDerWaalsContact C-N 3.33Å; K260-Q262 PolarHBondContact O-N 2.95Å; Q262-G264 PolarHBondContact O-N 3.1Å
263	A	80.9	Confident	87.5	Confident	38 Å²	38	69.2 Å²	69.2	31%	0.314	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	0.8	173.6	0	0	0	0	0	113.6	G259 K260 L261 L265	G259-A263 WeakPolarHBondContact O-CB 3.44Å; G259-A263 PolarHBondContact O-N 3.32Å; K260-A263 WeakPolarHBondContact O-CB 3.23Å; K260-A263 PolarHBondContact O-N 3.22Å; K260-A263 VanDerWaalsContact O-N 3.09Å; L261-A263 VanDerWaalsContact C-N 3.27Å; L261-A263 PolarHBondContact O-N 2.83Å; A263-L265 HydrophobicContact CB-CD1 4.49Å; A263-L265 HydrophobicContact CB-CG 4.41Å
264	G	83.8	Confident	87.8	Confident	25 Å²	25	71.2 Å²	71.2	26%	0.258	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	23.5	-176.7	0	0	0	0	0	113.5	K260 L261 Q262 S277	K260-G264 PolarHBondContact O-N 2.93Å; L261-G264 PolarHBondContact O-N 3.38Å; Q262-G264 PolarHBondContact O-N 3.1Å; G264-S277 PolarHBondContact O-OG 3.32Å
265	L	89	Confident	88.1	Confident	93 Å²	93	64.7 Å²	64.7	49%	0.487	37%	0.369	S	S	.	.			trans	-103.4	132.3	176.5	-56.8	173.8	0	0	0	109.9	K260 L261 A263	K260-L265 CarbonylContact C-O 3.49Å; K260-L265 HydrophobicContact CB-CB 4.26Å; K260-L265 WeakPolarHBondContact O-CB 3.5Å; K260-L265 PolarHBondContact O-N 3.09Å; L261-L265 WeakPolarHBondContact CA-O 3.37Å; A263-L265 HydrophobicContact CB-CD1 4.49Å; A263-L265 HydrophobicContact CB-CG 4.41Å
266	D	91.9	Very high	88.4	Confident	89 Å²	89	66.6 Å²	66.6	48%	0.476	37%	0.371	S	S	.	.			trans	-69.7	144.3	173.7	-52.6	-27.9	0	0	0	109.9	I274 I275 L276 S277	D266-I274 HydrophobicContact CB-CG2 4.4Å; D266-I275 WeakPolarHBondContact CA-O 3.42Å; D266-L276 HydrophobicContact CB-CD2 4.25Å; D266-L276 WeakPolarHBondContact OD1-CA 3.46Å; D266-S277 PolarHBondContact OD1-N 2.93Å; D266-S277 PolarHBondContact OD1-OG 3.24Å
267	V	91.4	Very high	88.4	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.024	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.1	-177.2	-60	0	0	0	0	111	L257 K260 L261 I274 I275	L257-V267 HydrophobicContact CB-CG1 4.5Å; L257-V267 HydrophobicContact CD2-CB 4.28Å; L257-V267 HydrophobicContact CD2-CG1 4.3Å; K260-V267 HydrophobicContact CB-CG1 3.49Å; K260-V267 VanDerWaalsContact CB-CG1 3.49Å; K260-V267 HydrophobicContact CD-CG1 4.02Å; K260-V267 HydrophobicContact CG-CG1 4.41Å; L261-V267 HydrophobicContact CD1-CG2 3.7Å; L261-V267 HydrophobicContact CD2-CG1 4.3Å; L261-V267 HydrophobicContact CD2-CG2 3.72Å; L261-V267 HydrophobicContact CG-CB 4.42Å; L261-V267 HydrophobicContact CG-CG1 3.94Å; L261-V267 HydrophobicContact CG-CG2 3.61Å; V267-I274 WeakPolarHBondContact O-CA 3.29Å; V267-I275 HydrophobicContact CG2-CB 4.01Å; V267-I275 PolarHBondContact N-O 3.28Å; V267-I275 PolarHBondContact O-N 3.01Å
268	Q	92.4	Very high	88.4	Confident	132 Å²	132	63.5 Å²	63.5	62%	0.617	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.8	168.9	-169.3	176.8	5	0	0	109	R273 I274	Q268-R273 WeakPolarHBondContact CA-O 3.21Å; Q268-I274 HydrophobicContact CB-CG1 4.44Å; Q268-I274 HydrophobicContact CG-CG1 4.26Å
269	L	89	Confident	88.5	Confident	11 Å²	11	65.8 Å²	65.8	6%	0.058	37%	0.372	C	S	.	.			trans	-82.8	163.2	174.2	-60.2	-178.1	0	0	0	110.7	V252 L257 D271 G272 R273 I275	V252-L269 HydrophobicContact CG1-CD2 4.37Å; L257-L269 HydrophobicContact CD1-CD2 3.91Å; L269-D271 WeakPolarHBondContact CB-OD1 3.21Å; L269-D271 PolarHBondContact O-N 3.46Å; L269-G272 PolarHBondContact O-N 3.05Å; L269-R273 PolarHBondContact N-O 3.33Å; L269-I275 HydrophobicContact CD1-CD1 4.12Å; L269-I275 HydrophobicContact CD1-CG1 3.82Å; L269-I275 HydrophobicContact CD2-CG1 4.45Å; L269-I275 HydrophobicContact CG-CG1 3.95Å
270	D	85.2	Confident	88.9	Confident	173 Å²	173	63.9 Å²	63.9	93%	0.925	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.7	178.6	-62.5	-26.9	0	0	0	113	G272	D270-G272 PolarHBondContact O-N 3.29Å
271	D	88.2	Confident	89.1	Confident	97 Å²	97	59.5 Å²	59.5	52%	0.519	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	2.7	174.6	67.2	11.7	0	0	0	113.7	L269 R273	L269-D271 WeakPolarHBondContact CB-OD1 3.21Å; L269-D271 PolarHBondContact O-N 3.46Å; D271-R273 VanDerWaalsContact C-N 3.34Å; D271-R273 PolarHBondContact O-N 3.4Å; D271-R273 VanDerWaalsContact OD1-CB 3.3Å; D271-R273 WeakPolarHBondContact OD1-CB 3.48Å; D271-R273 WeakPolarHBondContact OD1-CG 3.44Å; D271-R273 PolarHBondContact OD1-N 3.44Å; D271-R273 IonicContact OD1-NE 2.78Å; D271-R273 PolarHBondContact OD1-NE 3.06Å; D271-R273 IonicContact OD2-CZ 2.7Å; D271-R273 IonicContact OD2-NE 3.95Å; D271-R273 PolarHBondContact OD2-NE 3.49Å; D271-R273 IonicContact OD2-NH2 3.64Å; D271-R273 PolarHBondContact OD2-NH2 2.93Å
272	G	85.3	Confident	89.1	Confident	39 Å²	39	61.7 Å²	61.7	40%	0.402	34%	0.344	S	S	.	.	S	Bend	trans	87.2	-11.6	179.3	0	0	0	0	0	115	L269 D270	L269-G272 PolarHBondContact O-N 3.05Å; D270-G272 PolarHBondContact O-N 3.29Å
273	R	91.8	Very high	89.1	Confident	90 Å²	90	65.7 Å²	65.7	34%	0.34	36%	0.363	S	S	.	.			trans	-66.1	136	177.9	-67.5	-175.1	-70.4	138.1	5.3	110.7	Q250 Q268 L269 D271	Q250-R273 PolarHBondContact O-NH1 3.44Å; Q250-R273 PolarHBondContact O-NH2 3.44Å; Q250-R273 VanDerWaalsContact O-NH2 3.17Å; Q268-R273 WeakPolarHBondContact CA-O 3.21Å; L269-R273 PolarHBondContact N-O 3.33Å; D271-R273 VanDerWaalsContact C-N 3.34Å; D271-R273 PolarHBondContact O-N 3.4Å; D271-R273 VanDerWaalsContact OD1-CB 3.3Å; D271-R273 WeakPolarHBondContact OD1-CB 3.48Å; D271-R273 WeakPolarHBondContact OD1-CG 3.44Å; D271-R273 PolarHBondContact OD1-N 3.44Å; D271-R273 IonicContact OD1-NE 2.78Å; D271-R273 PolarHBondContact OD1-NE 3.06Å; D271-R273 IonicContact OD2-CZ 2.7Å; D271-R273 IonicContact OD2-NE 3.95Å; D271-R273 PolarHBondContact OD2-NE 3.49Å; D271-R273 IonicContact OD2-NH2 3.64Å; D271-R273 PolarHBondContact OD2-NH2 2.93Å
274	I	92.2	Very high	89.2	Confident	110 Å²	110	67.9 Å²	67.9	56%	0.564	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.1	172.4	-59.7	174.1	0	0	0	107.7	D266 V267 Q268 L276	D266-I274 HydrophobicContact CB-CG2 4.4Å; V267-I274 WeakPolarHBondContact O-CA 3.29Å; Q268-I274 HydrophobicContact CB-CG1 4.44Å; Q268-I274 HydrophobicContact CG-CG1 4.26Å; I274-L276 HydrophobicContact CG2-CD2 4.22Å
275	I	92.4	Very high	89.3	Confident	5 Å²	5	70.7 Å²	70.7	3%	0.026	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113.3	173.4	-53	-56	0	0	0	107.2	Q250 V252 L261 D266 V267 L269 V280	Q250-I275 HydrophobicContact CB-CD1 4.03Å; Q250-I275 HydrophobicContact CG-CD1 4.34Å; V252-I275 HydrophobicContact CG2-CG1 4.06Å; V252-I275 HydrophobicContact CG2-CG2 4.19Å; L261-I275 HydrophobicContact CD1-CG2 4.35Å; L261-I275 HydrophobicContact CD2-CB 4.44Å; L261-I275 HydrophobicContact CD2-CG2 4.04Å; D266-I275 WeakPolarHBondContact CA-O 3.42Å; V267-I275 HydrophobicContact CG2-CB 4.01Å; V267-I275 PolarHBondContact N-O 3.28Å; V267-I275 PolarHBondContact O-N 3.01Å; L269-I275 HydrophobicContact CD1-CD1 4.12Å; L269-I275 HydrophobicContact CD1-CG1 3.82Å; L269-I275 HydrophobicContact CD2-CG1 4.45Å; L269-I275 HydrophobicContact CG-CG1 3.95Å; I275-V280 HydrophobicContact CG2-CG1 3.85Å
276	L	91.7	Very high	89.2	Confident	73 Å²	73	69.5 Å²	69.5	38%	0.382	38%	0.378	S	S	.	.			trans	-70.7	135.9	174.4	-56.8	178.5	0	0	0	108.9	D266 I274 A278 D279	D266-L276 HydrophobicContact CB-CD2 4.25Å; D266-L276 WeakPolarHBondContact OD1-CA 3.46Å; I274-L276 HydrophobicContact CG2-CD2 4.22Å; L276-A278 PolarHBondContact O-N 3.22Å; L276-D279 PolarHBondContact O-N 3.45Å
277	S	89	Confident	89.3	Confident	13 Å²	13	65.6 Å²	65.6	9%	0.091	36%	0.358	C	S	.	.	H	α-helix	trans	-57.1	-40.8	174.3	54.5	0	0	0	0	111.3	G264 D266 D279 V280 L281	G264-S277 PolarHBondContact O-OG 3.32Å; D266-S277 PolarHBondContact OD1-N 2.93Å; D266-S277 PolarHBondContact OD1-OG 3.24Å; S277-D279 PolarHBondContact O-N 3.49Å; S277-V280 WeakPolarHBondContact O-CG2 3.5Å; S277-V280 PolarHBondContact O-N 2.92Å; S277-L281 WeakPolarHBondContact O-CB 3.46Å; S277-L281 WeakPolarHBondContact O-CD1 3.36Å; S277-L281 WeakPolarHBondContact O-CG 3.41Å; S277-L281 PolarHBondContact O-N 2.77Å
278	A	87.8	Confident	89.5	Confident	74 Å²	74	65.5 Å²	65.5	61%	0.612	36%	0.357	S	S	*	.	H	α-helix	trans	-56.7	-33.4	177.9	0	0	0	0	0	113.9	L276 V280	L276-A278 PolarHBondContact O-N 3.22Å; A278-V280 VanDerWaalsContact C-N 3.32Å; A278-V280 PolarHBondContact O-N 3.2Å
279	D	91.2	Very high	89.7	Confident	77 Å²	77	59.2 Å²	59.2	41%	0.412	33%	0.328	S	S	.	.	H	α-helix	trans	-72.8	-28.6	-176.5	-65.4	-23.8	0	0	0	112.7	K246 L276 S277	K246-D279 WeakPolarHBondContact CD-O 3.35Å; K246-D279 PolarHBondContact NZ-O 3.38Å; K246-D279 VanDerWaalsContact NZ-O 3.08Å; L276-D279 PolarHBondContact O-N 3.45Å; S277-D279 PolarHBondContact O-N 3.49Å
280	V	91.7	Very high	90.1	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-110	0.7	-174	-61.9	0	0	0	0	113.4	L242 L243 K246 L261 I275 S277 A278	L242-V280 HydrophobicContact CD1-CB 4.33Å; L242-V280 HydrophobicContact CD1-CG2 3.9Å; L243-V280 VanDerWaalsContact CB-O 3.3Å; L243-V280 WeakPolarHBondContact CB-O 3.02Å; L243-V280 PolarHBondContact N-O 2.87Å; K246-V280 HydrophobicContact CB-CG1 4.22Å; L261-V280 HydrophobicContact CB-CG2 4.18Å; L261-V280 HydrophobicContact CD1-CG2 4.13Å; L261-V280 HydrophobicContact CD2-CG2 3.78Å; L261-V280 HydrophobicContact CG-CG2 4.25Å; I275-V280 HydrophobicContact CG2-CG1 3.85Å; S277-V280 WeakPolarHBondContact O-CG2 3.5Å; S277-V280 PolarHBondContact O-N 2.92Å; A278-V280 VanDerWaalsContact C-N 3.32Å; A278-V280 PolarHBondContact O-N 3.2Å
281	L	90.6	Very high	90.7	Very high	13 Å²	13	50.5 Å²	50.5	7%	0.068	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-99.8	152.7	174.5	-71.7	174	0	0	0	110.4	P240 L242 L243 S277	P240-L281 HydrophobicContact CB-CB 4.15Å; P240-L281 HydrophobicContact CB-CD1 4.4Å; P240-L281 HydrophobicContact CB-CD2 4.05Å; P240-L281 HydrophobicContact CB-CG 4.42Å; P240-L281 HydrophobicContact CG-CB 4.31Å; P240-L281 HydrophobicContact CG-CD1 3.66Å; P240-L281 HydrophobicContact CG-CD2 3.78Å; P240-L281 HydrophobicContact CG-CG 4.11Å; L242-L281 HydrophobicContact CB-CD2 4.47Å; L242-L281 HydrophobicContact CD1-CD2 3.93Å; L243-L281 WeakPolarHBondContact CD1-O 3.36Å; S277-L281 WeakPolarHBondContact O-CB 3.46Å; S277-L281 WeakPolarHBondContact O-CD1 3.36Å; S277-L281 WeakPolarHBondContact O-CG 3.41Å; S277-L281 PolarHBondContact O-N 2.77Å
282	E	89.2	Confident	91.1	Very high	47 Å²	47	45.9 Å²	45.9	22%	0.22	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-62.1	146.9	163.7	128.4	-170.8	152.3	0	0	110	K238 K241 L243	K238-E282 WeakPolarHBondContact CE-OE1 3.35Å; K238-E282 IonicContact NZ-OE1 3.18Å; K238-E282 PolarHBondContact NZ-OE1 3.13Å; K241-E282 HydrophobicContact CB-CB 4.25Å; K241-E282 WeakPolarHBondContact CB-OE2 3.16Å; K241-E282 PolarHBondContact O-N 3.25Å; L243-E282 HydrophobicContact CD2-CB 4.46Å
283	E	85.8	Confident	91.6	Very high	175 Å²	175	44 Å²	44	82%	0.818	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-59.7	135.3	172.4	-69.3	-175.3	174.1	0	0	110.1	E285	E283-E285 PolarHBondContact O-N 3.45Å
284	P	84.1	Confident	91.7	Very high	85 Å²	85	39.9 Å²	39.9	55%	0.552	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-67	120.7	-178.3	26.9	-32.9	0	0	0	110.6
285	E	85.3	Confident	91.8	Very high	84 Å²	84	34.8 Å²	34.8	39%	0.393	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-61.3	141.5	165.3	-70.2	168.9	-159.3	0	0	110.2	Q237 K238 E283	Q237-E285 PolarHBondContact NE2-O 3.23Å; Q237-E285 PolarHBondContact OE1-O 3.45Å; K238-E285 VanDerWaalsContact CE-CD 3.44Å; K238-E285 VanDerWaalsContact CE-OE2 3.27Å; K238-E285 WeakPolarHBondContact CE-OE2 3.29Å; K238-E285 IonicContact NZ-OE1 2.73Å; K238-E285 PolarHBondContact NZ-OE1 3.28Å; K238-E285 IonicContact NZ-OE2 3.46Å; K238-E285 PolarHBondContact NZ-OE2 3.42Å; E283-E285 PolarHBondContact O-N 3.45Å
286	P	88.2	Confident	91.5	Very high	68 Å²	68	35.9 Å²	35.9	44%	0.442	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-54	142.6	174.7	-26.3	34.2	0	0	0	112.8	P288 D317 K319	P286-P288 VanDerWaalsContact O-CD 3.28Å; P286-P288 WeakPolarHBondContact O-CD 3.5Å; P286-D317 CarbonylContact C-O 3.5Å; P286-D317 VanDerWaalsContact CA-O 3.28Å; P286-D317 WeakPolarHBondContact CA-O 3.33Å; P286-K319 HydrophobicContact CB-CB 4.44Å
287	C	93.1	Very high	91.4	Very high	7 Å²	7	35.4 Å²	35.4	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	115.1	173.9	-79.4	0	0	0	0	110.1	V235 Q237 D317 E318 K319	V235-C287 WeakPolarHBondContact O-CB 3.06Å; Q237-C287 VanDerWaalsContact CA-SG 3.54Å; Q237-C287 PolarHBondContact N-SG 3.25Å; Q237-C287 VanDerWaalsContact N-SG 3.37Å; Q237-C287 PolarHBondContact OE1-SG 3.37Å; C287-D317 PolarHBondContact N-O 2.87Å; C287-E318 HydrophobicContact CB-CB 4.46Å; C287-E318 HydrophobicContact CB-CG 3.78Å; C287-E318 WeakPolarHBondContact O-CA 3.22Å; C287-K319 PolarHBondContact O-N 3.33Å
288	P	96	Very high	91.3	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.013	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	136.1	-179.3	31.1	-33.2	0	0	0	110.4	V235 P286 Y321 L412	V235-P288 HydrophobicContact CB-CG 3.9Å; V235-P288 WeakPolarHBondContact CB-O 3.43Å; V235-P288 HydrophobicContact CG1-CG 4.48Å; V235-P288 HydrophobicContact CG2-CG 4.15Å; V235-P288 PolarHBondContact N-O 2.69Å; P286-P288 VanDerWaalsContact O-CD 3.28Å; P286-P288 WeakPolarHBondContact O-CD 3.5Å; P288-Y321 HydrophobicContact CB-CD2 3.67Å; P288-Y321 HydrophobicContact CB-CE2 3.74Å; P288-L412 HydrophobicContact CB-CB 4.18Å; P288-L412 HydrophobicContact CB-CD2 4.24Å; P288-L412 HydrophobicContact CG-CB 4Å; P288-L412 WeakPolarHBondContact CG-O 3.19Å
289	A	96.5	Very high	91.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	153.3	175.4	0	0	0	0	0	111.2	L232 I233 R234 L314 K319 L320 Y321	L232-A289 HydrophobicContact CD1-CB 4.47Å; I233-A289 CarbonylContact O-C 3.59Å; I233-A289 WeakPolarHBondContact O-CA 3.47Å; I233-A289 WeakPolarHBondContact O-CB 3.31Å; R234-A289 HydrophobicContact CB-CB 4.46Å; R234-A289 HydrophobicContact CG-CB 4.01Å; A289-L314 HydrophobicContact CB-CD2 3.97Å; A289-K319 PolarHBondContact N-O 3.46Å; A289-L320 HydrophobicContact CB-CD1 4.41Å; A289-Y321 PolarHBondContact O-N 2.85Å
290	F	97.4	Very high	91.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	158	169.7	74.6	-78.5	0	0	0	110.5	F45 L59 L61 F70 I233 I292 A322 V324 L412	F45-F290 HydrophobicContact CD1-CD1 4.34Å; F45-F290 AromaticContact CD1-CD2 3.95Å; F45-F290 HydrophobicContact CD1-CD2 3.95Å; F45-F290 HydrophobicContact CD1-CE1 4.38Å; F45-F290 AromaticContact CD1-CE2 3.98Å; F45-F290 HydrophobicContact CD1-CE2 3.98Å; F45-F290 HydrophobicContact CD1-CG 4.13Å; F45-F290 HydrophobicContact CD1-CZ 4.21Å; F45-F290 HydrophobicContact CE1-CB 4.42Å; F45-F290 HydrophobicContact CE1-CD2 4.02Å; F45-F290 HydrophobicContact CE1-CE2 4.46Å; F45-F290 HydrophobicContact CE1-CG 4.17Å; L59-F290 HydrophobicContact CD2-CE2 3.81Å; L59-F290 HydrophobicContact CD2-CZ 4.45Å; L61-F290 HydrophobicContact CD1-CE1 3.95Å; L61-F290 HydrophobicContact CD1-CZ 4.17Å; L61-F290 HydrophobicContact CD2-CE1 4.12Å; L61-F290 HydrophobicContact CD2-CZ 4.12Å; F70-F290 HydrophobicContact CE2-CZ 4.48Å; I233-F290 HydrophobicContact CB-CD1 3.95Å; I233-F290 HydrophobicContact CB-CE1 3.59Å; I233-F290 HydrophobicContact CB-CZ 3.92Å; I233-F290 HydrophobicContact CD1-CD2 4.26Å; I233-F290 HydrophobicContact CD1-CE1 4.43Å; I233-F290 HydrophobicContact CD1-CE2 3.87Å; I233-F290 HydrophobicContact CD1-CZ 3.95Å; I233-F290 HydrophobicContact CG1-CE1 4.19Å; I233-F290 HydrophobicContact CG1-CE2 4.41Å; I233-F290 HydrophobicContact CG1-CZ 3.98Å; I233-F290 HydrophobicContact CG2-CD1 4.26Å; I233-F290 HydrophobicContact CG2-CE1 3.59Å; I233-F290 HydrophobicContact CG2-CZ 4.11Å; I233-F290 PolarHBondContact N-O 2.81Å; I233-F290 PolarHBondContact O-N 3.2Å; F290-I292 HydrophobicContact CD2-CG1 4.16Å; F290-I292 HydrophobicContact CE2-CD1 3.83Å; F290-I292 HydrophobicContact CE2-CG1 3.75Å; F290-A322 CarbonylContact C-O 3.54Å; F290-A322 WeakPolarHBondContact CA-O 3.28Å; F290-A322 HydrophobicContact CB-CB 4.09Å; F290-A322 VanDerWaalsContact CB-O 3.3Å; F290-A322 WeakPolarHBondContact CB-O 3.27Å; F290-V324 HydrophobicContact CD2-CG2 4.34Å; F290-L412 HydrophobicContact CD1-CD1 3.77Å; F290-L412 HydrophobicContact CD1-CD2 4.19Å; F290-L412 HydrophobicContact CE1-CD1 3.8Å
291	A	96.9	Very high	91.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	152.6	177.6	0	0	0	0	0	112	Y231 L232 F310 A322 V323 V324	Y231-A291 CarbonylContact O-C 3.54Å; Y231-A291 WeakPolarHBondContact O-CA 3.44Å; L232-A291 HydrophobicContact CD1-CB 4.34Å; A291-F310 HydrophobicContact CB-CD2 3.68Å; A291-F310 HydrophobicContact CB-CE2 3.47Å; A291-F310 VanDerWaalsContact CB-CE2 3.47Å; A291-F310 HydrophobicContact CB-CZ 4.33Å; A291-A322 PolarHBondContact N-O 2.89Å; A291-V323 HydrophobicContact CB-CG1 4.26Å; A291-V323 HydrophobicContact CB-CG2 4.39Å; A291-V323 CarbonylContact O-C 3.13Å; A291-V323 WeakPolarHBondContact O-CA 3.2Å; A291-V324 PolarHBondContact O-N 3.36Å
292	I	97.3	Very high	91	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.1	171.4	-56.2	172.4	0	0	0	108	L59 F70 T96 A230 Y231 I233 F290 V324 F326	L59-I292 HydrophobicContact CD2-CD1 3.63Å; L59-I292 HydrophobicContact CD2-CG1 4.17Å; F70-I292 HydrophobicContact CB-CD1 3.84Å; F70-I292 HydrophobicContact CD1-CD1 3.24Å; F70-I292 HydrophobicContact CD2-CD1 3.58Å; F70-I292 HydrophobicContact CE1-CD1 3.58Å; F70-I292 HydrophobicContact CE2-CD1 3.9Å; F70-I292 HydrophobicContact CG-CD1 3.24Å; F70-I292 HydrophobicContact CZ-CD1 3.9Å; T96-I292 HydrophobicContact CG2-CG2 3.8Å; A230-I292 CarbonylContact C-O 3.5Å; A230-I292 WeakPolarHBondContact CA-O 3.37Å; Y231-I292 PolarHBondContact N-O 2.93Å; Y231-I292 PolarHBondContact O-N 3.36Å; I233-I292 HydrophobicContact CD1-CD1 4.05Å; I233-I292 HydrophobicContact CD1-CG1 4.01Å; F290-I292 HydrophobicContact CD2-CG1 4.16Å; F290-I292 HydrophobicContact CE2-CD1 3.83Å; F290-I292 HydrophobicContact CE2-CG1 3.75Å; I292-V324 CarbonylContact C-O 3.59Å; I292-V324 WeakPolarHBondContact CA-O 3.49Å; I292-V324 HydrophobicContact CG1-CB 4.21Å; I292-F326 HydrophobicContact CG2-CD1 4.43Å; I292-F326 HydrophobicContact CG2-CD2 4.42Å; I292-F326 HydrophobicContact CG2-CE1 4.25Å; I292-F326 HydrophobicContact CG2-CE2 4.28Å; I292-F326 HydrophobicContact CG2-CZ 4.2Å
293	I	95.5	Very high	90.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	133.8	-171.1	-51.9	176.7	0	0	0	110	L171 A230 L304 F310 V323 V324 F326 W340	L171-I293 HydrophobicContact CD1-CG2 4.48Å; A230-I293 HydrophobicContact CB-CG1 4.23Å; A230-I293 HydrophobicContact CB-CG2 4.46Å; I293-L304 HydrophobicContact CD1-CD1 4.41Å; I293-L304 HydrophobicContact CG2-CD1 4.15Å; I293-L304 HydrophobicContact CG2-CD2 3.83Å; I293-F310 HydrophobicContact CD1-CE2 3.79Å; I293-F310 HydrophobicContact CD1-CZ 4.13Å; I293-F310 HydrophobicContact CG1-CE2 4.36Å; I293-F310 HydrophobicContact CG1-CZ 4.48Å; I293-V323 HydrophobicContact CD1-CG1 3.54Å; I293-V323 HydrophobicContact CG1-CG1 4.09Å; I293-V324 PolarHBondContact N-O 3.15Å; I293-F326 PolarHBondContact O-N 3.28Å; I293-W340 HydrophobicContact CD1-CH2 3.16Å; I293-W340 HydrophobicContact CD1-CZ2 3.84Å; I293-W340 HydrophobicContact CD1-CZ3 4.01Å
294	E	95.1	Very high	91.1	Very high	3 Å²	3	33 Å²	33	1%	0.014	18%	0.178	C	C	.	.			trans	-132.3	104.1	169.4	-168.4	-178.3	156	0	0	109.8	T96 R97 N102 N228 A296 F326	T96-E294 VanDerWaalsContact CB-OE2 3.28Å; T96-E294 WeakPolarHBondContact CB-OE2 3.33Å; T96-E294 HydrophobicContact CG2-CB 4.46Å; T96-E294 PolarHBondContact OG1-OE2 3.5Å; R97-E294 IonicContact CZ-OE1 3.07Å; R97-E294 IonicContact NE-OE1 3.03Å; R97-E294 PolarHBondContact NE-OE1 3.12Å; R97-E294 IonicContact NH1-OE1 3.16Å; R97-E294 IonicContact NH2-OE1 2.65Å; N102-E294 PolarHBondContact ND2-OE1 3.06Å; N102-E294 PolarHBondContact ND2-OE2 2.73Å; N228-E294 PolarHBondContact ND2-O 3.47Å; N228-E294 PolarHBondContact OD1-O 3.4Å; E294-A296 PolarHBondContact O-N 2.8Å; E294-F326 HydrophobicContact CB-CB 3.89Å; E294-F326 HydrophobicContact CG-CB 3.92Å
295	C	92.7	Very high	91.2	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.02	17%	0.167	C	C	.	.			trans	-85.4	111.1	170.3	-71.2	0	0	0	0	109.6	L304 T327 V331 Y337	C295-L304 WeakPolarHBondContact SG-CD2 3.42Å; C295-T327 HydrophobicContact CB-CG2 3.82Å; C295-T327 PolarHBondContact N-OG1 3.34Å; C295-V331 HydrophobicContact CB-CG1 3.62Å; C295-Y337 HydrophobicContact CB-CE2 4.22Å
296	A	87.4	Confident	91.2	Very high	28 Å²	28	34.1 Å²	34.1	23%	0.231	19%	0.185	C	C	.	.			trans	-71.2	-33.4	-179.5	0	0	0	0	0	112.7	N228 E294	N228-A296 PolarHBondContact ND2-N 3.06Å; E294-A296 PolarHBondContact O-N 2.8Å
297	D	88.3	Confident	91	Very high	63 Å²	63	33 Å²	33	34%	0.337	18%	0.175	S	C	.	.	S	Bend	trans	-158.3	-179.9	-172.5	55.4	31.4	0	0	0	111.3	H299 S300 L301	D297-H299 VanDerWaalsContact C-N 3.26Å; D297-H299 PolarHBondContact O-N 3.41Å; D297-H299 WeakPolarHBondContact OD1-CB 3.46Å; D297-H299 PolarHBondContact OD1-N 2.94Å; D297-H299 VanDerWaalsContact OD1-N 3.15Å; D297-S300 PolarHBondContact O-N 3.16Å; D297-S300 WeakPolarHBondContact OD1-CB 3.38Å; D297-S300 PolarHBondContact OD1-N 2.99Å; D297-S300 PolarHBondContact OD1-OG 3.07Å; D297-L301 PolarHBondContact O-N 3.41Å
298	I	87.2	Confident	90.4	Very high	103 Å²	103	39.5 Å²	39.5	53%	0.528	20%	0.203	S	C	.	.	H	α-helix	trans	-63.4	-31.5	178.5	-61.1	173.4	0	0	0	111.7	L301 N302	I298-L301 WeakPolarHBondContact O-CB 3.42Å; I298-L301 PolarHBondContact O-N 2.94Å; I298-N302 VanDerWaalsContact O-CG 3.29Å; I298-N302 PolarHBondContact O-N 2.88Å; I298-N302 PolarHBondContact O-ND2 3.41Å
299	H	87.4	Confident	89.6	Confident	87 Å²	87	39.9 Å²	39.9	40%	0.403	21%	0.206	S	C	.	.	H	α-helix	trans	-67.9	-44.3	177.5	172.1	-85.9	0	0	0	111.4	D297 L301 N302 R303	D297-H299 VanDerWaalsContact C-N 3.26Å; D297-H299 PolarHBondContact O-N 3.41Å; D297-H299 WeakPolarHBondContact OD1-CB 3.46Å; D297-H299 PolarHBondContact OD1-N 2.94Å; D297-H299 VanDerWaalsContact OD1-N 3.15Å; H299-L301 VanDerWaalsContact C-N 3.27Å; H299-L301 PolarHBondContact O-N 2.8Å; H299-N302 PolarHBondContact O-N 2.89Å; H299-R303 PolarHBondContact CE1-NE 3.32Å; H299-R303 VanDerWaalsContact CE1-NE 3.28Å; H299-R303 PolarHBondContact O-N 3.13Å
300	S	88.7	Confident	89.1	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-40	173.6	-53	0	0	0	0	110.9	L171 N228 D297 R303 L304	L171-S300 WeakPolarHBondContact O-CA 3.31Å; N228-S300 WeakPolarHBondContact ND2-CB 3.39Å; N228-S300 PolarHBondContact ND2-OG 3.46Å; D297-S300 PolarHBondContact O-N 3.16Å; D297-S300 WeakPolarHBondContact OD1-CB 3.38Å; D297-S300 PolarHBondContact OD1-N 2.99Å; D297-S300 PolarHBondContact OD1-OG 3.07Å; S300-R303 PolarHBondContact O-N 3.21Å; S300-L304 PolarHBondContact O-N 3.3Å
301	L	90.3	Very high	88.3	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-46.2	173	169.9	58	0	0	0	112	D297 I298 H299 R303 L304 C305 V331 N334 Y337	D297-L301 PolarHBondContact O-N 3.41Å; I298-L301 WeakPolarHBondContact O-CB 3.42Å; I298-L301 PolarHBondContact O-N 2.94Å; H299-L301 VanDerWaalsContact C-N 3.27Å; H299-L301 PolarHBondContact O-N 2.8Å; L301-R303 VanDerWaalsContact C-N 3.26Å; L301-R303 PolarHBondContact O-N 2.66Å; L301-L304 CarbonylContact O-C 3.58Å; L301-L304 WeakPolarHBondContact O-CA 3.36Å; L301-L304 WeakPolarHBondContact O-CB 3.46Å; L301-L304 PolarHBondContact O-N 3.19Å; L301-C305 VanDerWaalsContact CD1-SG 3.5Å; L301-C305 PolarHBondContact O-N 2.76Å; L301-C305 PolarHBondContact O-SG 3.39Å; L301-C305 VanDerWaalsContact O-SG 3.33Å; L301-V331 HydrophobicContact CB-CG1 4.23Å; L301-V331 HydrophobicContact CD2-CG1 4.4Å; L301-N334 HydrophobicContact CD2-CB 3.84Å; L301-N334 WeakPolarHBondContact CD2-OD1 3.27Å; L301-Y337 HydrophobicContact CD1-CD2 3.82Å; L301-Y337 HydrophobicContact CD1-CG 4.2Å
302	N	89.3	Confident	87.8	Confident	98 Å²	98	47.1 Å²	47.1	52%	0.524	24%	0.241	S	C	.	.	H	α-helix	trans	-57.8	-40.9	178.5	-70.3	-27.1	0	0	0	111.8	I298 H299 C305 L306	I298-N302 VanDerWaalsContact O-CG 3.29Å; I298-N302 PolarHBondContact O-N 2.88Å; I298-N302 PolarHBondContact O-ND2 3.41Å; H299-N302 PolarHBondContact O-N 2.89Å; N302-C305 PolarHBondContact O-N 3.24Å; N302-L306 WeakPolarHBondContact O-CG 3.29Å; N302-L306 PolarHBondContact O-N 3.23Å
303	R	87.4	Confident	87.3	Confident	56 Å²	56	49.9 Å²	49.9	21%	0.211	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-40.8	174.1	-71.8	-172.6	176	-123.3	-2.9	112.4	L171 G172 D174 H299 S300 L301 C305 L306 L307	L171-R303 HydrophobicContact CD2-CB 4.34Å; L171-R303 WeakPolarHBondContact O-CD 3.39Å; G172-R303 VanDerWaalsContact O-CD 3.31Å; G172-R303 WeakPolarHBondContact O-CD 3.32Å; G172-R303 PolarHBondContact O-NE 2.88Å; G172-R303 PolarHBondContact O-NH1 2.86Å; D174-R303 VanDerWaalsContact CG-NH1 3.29Å; D174-R303 IonicContact OD1-CZ 2.77Å; D174-R303 IonicContact OD1-NH1 3.65Å; D174-R303 PolarHBondContact OD1-NH1 3.2Å; D174-R303 IonicContact OD1-NH2 3.76Å; D174-R303 IonicContact OD2-CZ 3.4Å; D174-R303 IonicContact OD2-NH1 3.49Å; D174-R303 PolarHBondContact OD2-NH1 3.1Å; D174-R303 IonicContact OD2-NH2 2.73Å; D174-R303 PolarHBondContact OD2-NH2 3.5Å; H299-R303 PolarHBondContact CE1-NE 3.32Å; H299-R303 VanDerWaalsContact CE1-NE 3.28Å; H299-R303 PolarHBondContact O-N 3.13Å; S300-R303 PolarHBondContact O-N 3.21Å; L301-R303 VanDerWaalsContact C-N 3.26Å; L301-R303 PolarHBondContact O-N 2.66Å; R303-C305 VanDerWaalsContact C-N 3.31Å; R303-C305 PolarHBondContact O-N 3.06Å; R303-L306 WeakPolarHBondContact O-CB 3.45Å; R303-L306 PolarHBondContact O-N 3.19Å; R303-L307 PolarHBondContact O-N 2.81Å
304	L	88.9	Confident	87	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-42.5	173.9	-177	67.2	0	0	0	111.2	L171 I293 C295 S300 L301 L306 L307 Y337 W340	L171-L304 HydrophobicContact CD2-CB 4.2Å; L171-L304 HydrophobicContact CD2-CD1 4.35Å; I293-L304 HydrophobicContact CD1-CD1 4.41Å; I293-L304 HydrophobicContact CG2-CD1 4.15Å; I293-L304 HydrophobicContact CG2-CD2 3.83Å; C295-L304 WeakPolarHBondContact SG-CD2 3.42Å; S300-L304 PolarHBondContact O-N 3.3Å; L301-L304 CarbonylContact O-C 3.58Å; L301-L304 WeakPolarHBondContact O-CA 3.36Å; L301-L304 WeakPolarHBondContact O-CB 3.46Å; L301-L304 PolarHBondContact O-N 3.19Å; L304-L306 PolarHBondContact O-N 2.97Å; L304-L307 HydrophobicContact CD1-CD1 4.43Å; L304-L307 CarbonylContact O-C 3.5Å; L304-L307 WeakPolarHBondContact O-CA 3.3Å; L304-L307 VanDerWaalsContact O-CB 3.3Å; L304-L307 WeakPolarHBondContact O-CB 3.34Å; L304-L307 PolarHBondContact O-N 2.91Å; L304-Y337 HydrophobicContact CD2-CD2 4.48Å; L304-Y337 HydrophobicContact CD2-CE2 4.04Å; L304-W340 HydrophobicContact CD1-CH2 4.29Å; L304-W340 HydrophobicContact CD1-CZ2 3.65Å; L304-W340 HydrophobicContact CD2-CD2 3.9Å; L304-W340 HydrophobicContact CD2-CE3 3.85Å; L304-W340 HydrophobicContact CD2-CH2 4.05Å; L304-W340 HydrophobicContact CD2-CZ2 4.01Å; L304-W340 HydrophobicContact CD2-CZ3 3.93Å; L304-W340 HydrophobicContact CG-CD2 3.99Å; L304-W340 HydrophobicContact CG-CE3 4.44Å; L304-W340 HydrophobicContact CG-CG 4.5Å; L304-W340 HydrophobicContact CG-CH2 4.43Å; L304-W340 HydrophobicContact CG-CZ2 3.89Å; L304-W340 PolarHBondContact O-NE1 3.16Å
305	C	87.2	Confident	86.7	Confident	46 Å²	46	56.8 Å²	56.8	31%	0.311	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-27	178	-67.6	0	0	0	0	113.3	L301 N302 R303 L307	L301-C305 VanDerWaalsContact CD1-SG 3.5Å; L301-C305 PolarHBondContact O-N 2.76Å; L301-C305 PolarHBondContact O-SG 3.39Å; L301-C305 VanDerWaalsContact O-SG 3.33Å; N302-C305 PolarHBondContact O-N 3.24Å; R303-C305 VanDerWaalsContact C-N 3.31Å; R303-C305 PolarHBondContact O-N 3.06Å; C305-L307 VanDerWaalsContact C-N 3.33Å
306	L	85.7	Confident	86.4	Confident	147 Å²	147	62.3 Å²	62.3	77%	0.77	33%	0.332	S	S	*	.	H	α-helix	trans	-69.9	-32	171.2	-64.4	172.9	0	0	0	111.8	N302 R303 L304 K308	N302-L306 WeakPolarHBondContact O-CG 3.29Å; N302-L306 PolarHBondContact O-N 3.23Å; R303-L306 WeakPolarHBondContact O-CB 3.45Å; R303-L306 PolarHBondContact O-N 3.19Å; L304-L306 PolarHBondContact O-N 2.97Å; L306-K308 PolarHBondContact O-N 3.13Å; L306-K308 VanDerWaalsContact O-N 3.16Å
307	L	83.1	Confident	86.5	Confident	44 Å²	44	65 Å²	65	23%	0.23	34%	0.342	C	S	.	.	S	Bend	trans	-75.7	97	168.5	-57.4	170.3	0	0	0	108.1	F169 L171 R303 L304 C305 W340	F169-L307 HydrophobicContact CB-CD1 3.71Å; F169-L307 HydrophobicContact CD1-CD1 4.06Å; F169-L307 HydrophobicContact CD1-CD2 3.92Å; F169-L307 HydrophobicContact CE1-CD2 4.45Å; F169-L307 HydrophobicContact CG-CD1 3.99Å; L171-L307 HydrophobicContact CD2-CD1 3.8Å; R303-L307 PolarHBondContact O-N 2.81Å; L304-L307 HydrophobicContact CD1-CD1 4.43Å; L304-L307 CarbonylContact O-C 3.5Å; L304-L307 WeakPolarHBondContact O-CA 3.3Å; L304-L307 VanDerWaalsContact O-CB 3.3Å; L304-L307 WeakPolarHBondContact O-CB 3.34Å; L304-L307 PolarHBondContact O-N 2.91Å; C305-L307 VanDerWaalsContact C-N 3.33Å; L307-W340 PolarHBondContact O-NE1 3.27Å
308	K	80.1	Confident	86.7	Confident	145 Å²	145	63 Å²	63	63%	0.63	33%	0.331	S	S	*	.			trans	-51.4	162.1	168.8	-64.7	-176.2	179.5	-178.4	0	110.6	L306 F310 H312	L306-K308 PolarHBondContact O-N 3.13Å; L306-K308 VanDerWaalsContact O-N 3.16Å; K308-F310 PolarHBondContact O-N 3.43Å; K308-H312 PolarHBondContact O-CE1 3.35Å
309	A	80.3	Confident	87	Confident	10 Å²	10	62.3 Å²	62.3	8%	0.083	32%	0.324	C	S	.	.			trans	-43	135.2	172.3	0	0	0	0	0	111.8	D311 H312 Q343 F344	A309-D311 PolarHBondContact O-N 3.06Å; A309-H312 PolarHBondContact O-CE1 3.38Å; A309-H312 PolarHBondContact O-ND1 3.3Å; A309-Q343 HydrophobicContact CB-CB 3.8Å; A309-Q343 WeakPolarHBondContact CB-O 3.37Å; A309-F344 HydrophobicContact CB-CD1 4.24Å; A309-F344 HydrophobicContact CB-CD2 4.39Å; A309-F344 HydrophobicContact CB-CE1 4.23Å; A309-F344 HydrophobicContact CB-CE2 4.38Å; A309-F344 HydrophobicContact CB-CG 4.32Å; A309-F344 HydrophobicContact CB-CZ 4.31Å
310	F	84.3	Confident	87.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-63.9	-8.4	-165.5	-61.9	-64.2	0	0	0	115.2	F169 L232 A291 I293 K308 H312 L313 L320 W340 F344	F169-F310 HydrophobicContact CD2-CE1 4.06Å; F169-F310 HydrophobicContact CE2-CD1 4.23Å; F169-F310 AromaticContact CE2-CE1 3.85Å; F169-F310 HydrophobicContact CE2-CE1 3.85Å; F169-F310 HydrophobicContact CZ-CD1 4.33Å; F169-F310 HydrophobicContact CZ-CE1 4.25Å; L232-F310 HydrophobicContact CD1-CB 4.41Å; L232-F310 HydrophobicContact CD2-CB 4.22Å; L232-F310 HydrophobicContact CD2-CD1 4.49Å; A291-F310 HydrophobicContact CB-CD2 3.68Å; A291-F310 HydrophobicContact CB-CE2 3.47Å; A291-F310 VanDerWaalsContact CB-CE2 3.47Å; A291-F310 HydrophobicContact CB-CZ 4.33Å; I293-F310 HydrophobicContact CD1-CE2 3.79Å; I293-F310 HydrophobicContact CD1-CZ 4.13Å; I293-F310 HydrophobicContact CG1-CE2 4.36Å; I293-F310 HydrophobicContact CG1-CZ 4.48Å; K308-F310 PolarHBondContact O-N 3.43Å; F310-H312 PolarHBondContact O-N 2.79Å; F310-H312 VanDerWaalsContact O-N 3.14Å; F310-L313 HydrophobicContact CD1-CD1 4.04Å; F310-L313 WeakPolarHBondContact O-CB 3.41Å; F310-L313 PolarHBondContact O-N 2.76Å; F310-L320 HydrophobicContact CB-CD2 4.49Å; F310-W340 HydrophobicContact CE2-CZ2 4.31Å; F310-F344 AromaticContact CD2-CE1 3.9Å; F310-F344 HydrophobicContact CD2-CE1 3.9Å; F310-F344 AromaticContact CD2-CZ 3.95Å; F310-F344 HydrophobicContact CD2-CZ 3.95Å; F310-F344 HydrophobicContact CE2-CZ 4.21Å
311	D	81.7	Confident	87.7	Confident	37 Å²	37	60 Å²	60	20%	0.198	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-49.9	-38.8	179.5	-72.6	-90.7	0	0	0	113.7	A309 L313 L314 K345	A309-D311 PolarHBondContact O-N 3.06Å; D311-L313 PolarHBondContact O-N 2.89Å; D311-L314 PolarHBondContact O-N 3.06Å; D311-K345 WeakPolarHBondContact OD1-CD 3.32Å; D311-K345 WeakPolarHBondContact OD1-CE 3.29Å; D311-K345 IonicContact OD1-NZ 2.77Å; D311-K345 PolarHBondContact OD1-NZ 3.33Å
312	H	85.1	Confident	88	Confident	115 Å²	115	59.9 Å²	59.9	53%	0.532	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-68	-13.9	179.5	71.1	-77.4	0	0	0	114	K308 A309 F310	K308-H312 PolarHBondContact O-CE1 3.35Å; A309-H312 PolarHBondContact O-CE1 3.38Å; A309-H312 PolarHBondContact O-ND1 3.3Å; F310-H312 PolarHBondContact O-N 2.79Å; F310-H312 VanDerWaalsContact O-N 3.14Å
313	L	86.9	Confident	88.3	Confident	58 Å²	58	55.2 Å²	55.2	30%	0.304	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-98.8	-0.5	178.8	-56.7	174.1	0	0	0	112.7	F169 L232 R234 F310 D311	F169-L313 HydrophobicContact CE1-CD1 3.65Å; F169-L313 HydrophobicContact CZ-CD1 3.45Å; F169-L313 VanDerWaalsContact CZ-CD1 3.45Å; L232-L313 HydrophobicContact CD2-CB 4.2Å; R234-L313 PolarHBondContact NH2-O 3.23Å; F310-L313 HydrophobicContact CD1-CD1 4.04Å; F310-L313 WeakPolarHBondContact O-CB 3.41Å; F310-L313 PolarHBondContact O-N 2.76Å; D311-L313 PolarHBondContact O-N 2.89Å
314	L	90	Very high	88.8	Confident	28 Å²	28	52.5 Å²	52.5	15%	0.147	28%	0.276	C	S	.	.	S	Bend	trans	-94.5	145.1	179.1	-58.9	173.4	0	0	0	110.1	L232 A289 D311 E318 L320	L232-L314 HydrophobicContact CD1-CD2 4.38Å; L232-L314 HydrophobicContact CD2-CD2 4.26Å; A289-L314 HydrophobicContact CB-CD2 3.97Å; D311-L314 PolarHBondContact O-N 3.06Å; L314-E318 WeakPolarHBondContact CA-OE2 3.34Å; L314-E318 HydrophobicContact CB-CB 4.05Å; L314-E318 HydrophobicContact CD2-CB 4.33Å; L314-L320 HydrophobicContact CD1-CB 3.75Å
315	K	88.8	Confident	89.2	Confident	120 Å²	120	52.5 Å²	52.5	52%	0.522	28%	0.276	S	S	.	.			trans	-73.6	164.7	170.5	-61.3	173.1	-170.2	154.4	0	110.6	D317 E318	K315-D317 WeakPolarHBondContact CB-OD1 3.38Å; K315-D317 PolarHBondContact O-N 3.36Å; K315-D317 VanDerWaalsContact O-N 3.15Å; K315-E318 HydrophobicContact CB-CB 4.49Å; K315-E318 HydrophobicContact CB-CG 4.11Å; K315-E318 PolarHBondContact N-OE2 2.9Å; K315-E318 IonicContact NZ-OE1 3.56Å; K315-E318 PolarHBondContact O-N 3.29Å
316	A	86.7	Confident	89.6	Confident	118 Å²	118	50.3 Å²	50.3	98%	0.975	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-26.1	-179.6	0	0	0	0	0	113.9
317	D	88.3	Confident	90	Very high	84 Å²	84	43.3 Å²	43.3	45%	0.449	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	0.8	176.9	62.6	-40.7	0	0	0	113.7	P286 C287 K315	P286-D317 CarbonylContact C-O 3.5Å; P286-D317 VanDerWaalsContact CA-O 3.28Å; P286-D317 WeakPolarHBondContact CA-O 3.33Å; C287-D317 PolarHBondContact N-O 2.87Å; K315-D317 WeakPolarHBondContact CB-OD1 3.38Å; K315-D317 PolarHBondContact O-N 3.36Å; K315-D317 VanDerWaalsContact O-N 3.15Å
318	E	92.9	Very high	90.4	Very high	22 Å²	22	44.2 Å²	44.2	10%	0.103	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	146	-179.9	-68.8	170	173.6	0	0	110.8	R234 C287 L314 K315	R234-E318 IonicContact NE-OE2 3.02Å; C287-E318 HydrophobicContact CB-CB 4.46Å; C287-E318 HydrophobicContact CB-CG 3.78Å; C287-E318 WeakPolarHBondContact O-CA 3.22Å; L314-E318 WeakPolarHBondContact CA-OE2 3.34Å; L314-E318 HydrophobicContact CB-CB 4.05Å; L314-E318 HydrophobicContact CD2-CB 4.33Å; K315-E318 HydrophobicContact CB-CB 4.49Å; K315-E318 HydrophobicContact CB-CG 4.11Å; K315-E318 PolarHBondContact N-OE2 2.9Å; K315-E318 IonicContact NZ-OE1 3.56Å; K315-E318 PolarHBondContact O-N 3.29Å
319	K	94.1	Very high	90.9	Very high	89 Å²	89	40.5 Å²	40.5	39%	0.387	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.4	176.9	176	172.9	174.7	177.9	0	110.7	P286 C287 A289 Y321	P286-K319 HydrophobicContact CB-CB 4.44Å; C287-K319 PolarHBondContact O-N 3.33Å; A289-K319 PolarHBondContact N-O 3.46Å; K319-Y321 HydrophobicContact CB-CD2 4.26Å; K319-Y321 HydrophobicContact CB-CE2 3.74Å; K319-Y321 HydrophobicContact CD-CD2 4.49Å; K319-Y321 HydrophobicContact CD-CE1 4.28Å; K319-Y321 HydrophobicContact CD-CE2 3.82Å; K319-Y321 HydrophobicContact CG-CD2 4.04Å; K319-Y321 HydrophobicContact CG-CE2 3.69Å; K319-Y321 VanDerWaalsContact O-CD2 3.24Å; K319-Y321 WeakPolarHBondContact O-CD2 3.48Å
320	L	95.4	Very high	91.4	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.2	170.3	-168.8	69.8	0	0	0	109.4	L232 A289 F310 L314 V323 F344 T348	L232-L320 HydrophobicContact CD1-CD1 4.03Å; A289-L320 HydrophobicContact CB-CD1 4.41Å; F310-L320 HydrophobicContact CB-CD2 4.49Å; L314-L320 HydrophobicContact CD1-CB 3.75Å; L320-V323 HydrophobicContact CD2-CG2 4.11Å; L320-F344 HydrophobicContact CD2-CD1 3.73Å; L320-F344 HydrophobicContact CD2-CE1 3.66Å; L320-T348 HydrophobicContact CD2-CG2 3.9Å; L320-T348 HydrophobicContact CG-CG2 4.11Å
321	Y	95.1	Very high	91.8	Very high	36 Å²	36	47.7 Å²	47.7	14%	0.141	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-30.7	179.1	-80.7	-93.5	0	0	0	112.6	P288 A289 K319 K349 A416	P288-Y321 HydrophobicContact CB-CD2 3.67Å; P288-Y321 HydrophobicContact CB-CE2 3.74Å; A289-Y321 PolarHBondContact O-N 2.85Å; K319-Y321 HydrophobicContact CB-CD2 4.26Å; K319-Y321 HydrophobicContact CB-CE2 3.74Å; K319-Y321 HydrophobicContact CD-CD2 4.49Å; K319-Y321 HydrophobicContact CD-CE1 4.28Å; K319-Y321 HydrophobicContact CD-CE2 3.82Å; K319-Y321 HydrophobicContact CG-CD2 4.04Å; K319-Y321 HydrophobicContact CG-CE2 3.69Å; K319-Y321 VanDerWaalsContact O-CD2 3.24Å; K319-Y321 WeakPolarHBondContact O-CD2 3.48Å; Y321-K349 PolarHBondContact O-N 2.9Å; Y321-A416 HydrophobicContact CD1-CB 3.96Å; Y321-A416 HydrophobicContact CD2-CB 4.49Å; Y321-A416 HydrophobicContact CE1-CB 3.4Å; Y321-A416 HydrophobicContact CE2-CB 4.02Å; Y321-A416 HydrophobicContact CG-CB 4.46Å; Y321-A416 VanDerWaalsContact CZ-CB 3.43Å
322	A	96	Very high	92.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	155.3	-175.5	0	0	0	0	0	114	F45 F290 A291 K349 F351 F410	F45-A322 HydrophobicContact CE1-CB 4.08Å; F45-A322 HydrophobicContact CZ-CB 4.24Å; F290-A322 CarbonylContact C-O 3.54Å; F290-A322 WeakPolarHBondContact CA-O 3.28Å; F290-A322 HydrophobicContact CB-CB 4.09Å; F290-A322 VanDerWaalsContact CB-O 3.3Å; F290-A322 WeakPolarHBondContact CB-O 3.27Å; A291-A322 PolarHBondContact N-O 2.89Å; A322-K349 CarbonylContact C-O 3.58Å; A322-K349 WeakPolarHBondContact CA-O 3.46Å; A322-K349 HydrophobicContact CB-CB 4.45Å; A322-F351 HydrophobicContact CB-CD2 4.02Å; A322-F351 HydrophobicContact CB-CE2 3.75Å; A322-F410 HydrophobicContact CB-CD1 4.2Å; A322-F410 HydrophobicContact CB-CE1 3.66Å; A322-F410 HydrophobicContact CB-CZ 3.95Å
323	V	96.7	Very high	92.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.8	166.3	-174.2	0	0	0	0	108.3	A291 I293 L320 H325 F344 T348 K349 H350 F351	A291-V323 HydrophobicContact CB-CG1 4.26Å; A291-V323 HydrophobicContact CB-CG2 4.39Å; A291-V323 CarbonylContact O-C 3.13Å; A291-V323 WeakPolarHBondContact O-CA 3.2Å; I293-V323 HydrophobicContact CD1-CG1 3.54Å; I293-V323 HydrophobicContact CG1-CG1 4.09Å; L320-V323 HydrophobicContact CD2-CG2 4.11Å; V323-H325 WeakPolarHBondContact CG1-CE1 3.5Å; V323-F344 HydrophobicContact CG2-CD1 4.04Å; V323-F344 HydrophobicContact CG2-CE1 3.65Å; V323-F344 HydrophobicContact CG2-CZ 4.13Å; V323-T348 HydrophobicContact CG2-CG2 3.88Å; V323-K349 PolarHBondContact N-O 3.44Å; V323-H350 CarbonylContact O-C 3.48Å; V323-H350 WeakPolarHBondContact O-CA 3.44Å; V323-F351 PolarHBondContact O-N 2.7Å
324	V	97.4	Very high	93.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.3	179.2	-170.4	0	0	0	0	108.5	F45 L59 F290 A291 I292 I293 F326 F351 L353	F45-V324 HydrophobicContact CE1-CG2 4.3Å; F45-V324 HydrophobicContact CE2-CG2 4.25Å; F45-V324 HydrophobicContact CZ-CG2 3.89Å; L59-V324 HydrophobicContact CD1-CG1 4.46Å; L59-V324 HydrophobicContact CD2-CG2 4.29Å; F290-V324 HydrophobicContact CD2-CG2 4.34Å; A291-V324 PolarHBondContact O-N 3.36Å; I292-V324 CarbonylContact C-O 3.59Å; I292-V324 WeakPolarHBondContact CA-O 3.49Å; I292-V324 HydrophobicContact CG1-CB 4.21Å; I293-V324 PolarHBondContact N-O 3.15Å; V324-F326 HydrophobicContact CG1-CD1 4Å; V324-F326 HydrophobicContact CG1-CE1 3.57Å; V324-F351 CarbonylContact C-O 3.57Å; V324-F351 WeakPolarHBondContact CA-O 3.24Å; V324-F351 HydrophobicContact CG1-CB 4.36Å; V324-F351 HydrophobicContact CG2-CB 4.39Å; V324-F351 HydrophobicContact CG2-CD2 4.43Å; V324-L353 HydrophobicContact CG1-CD1 3.55Å
325	H	96.7	Very high	93.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.3	-175	-55.6	-80.3	0	0	0	110.1	V323 T327 F332 Y337 H350 F351 V352 L353	V323-H325 WeakPolarHBondContact CG1-CE1 3.5Å; H325-T327 VanDerWaalsContact C-N 3.32Å; H325-F332 HydrophobicContact CB-CE2 4.31Å; H325-Y337 AromaticContact ND1-CZ 3.85Å; H325-Y337 PolarHBondContact ND1-OH 2.97Å; H325-H350 AromaticContact CD2-ND1 4Å; H325-H350 AromaticContact CE1-ND1 3.66Å; H325-H350 AromaticContact NE2-CE1 3.95Å; H325-H350 AromaticContact NE2-CG 3.66Å; H325-H350 AromaticContact NE2-ND1 2.87Å; H325-H350 PolarHBondContact NE2-ND1 3.44Å; H325-F351 PolarHBondContact N-O 2.99Å; H325-V352 HydrophobicContact CB-CG2 4.44Å; H325-L353 PolarHBondContact O-N 2.87Å
326	F	96.4	Very high	93.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.242	C	C	.	.			trans	-91.8	0.1	172.4	-74.5	14.8	0	0	0	111.9	R57 L59 N71 T96 I292 I293 E294 V324 L353	R57-F326 HydrophobicContact CB-CD1 4.3Å; R57-F326 HydrophobicContact CB-CD2 3.79Å; R57-F326 HydrophobicContact CB-CE1 4.42Å; R57-F326 HydrophobicContact CB-CE2 3.89Å; R57-F326 HydrophobicContact CB-CG 4Å; R57-F326 HydrophobicContact CB-CZ 4.21Å; R57-F326 WeakPolarHBondContact CD-O 3.37Å; R57-F326 HydrophobicContact CG-CG 4.44Å; R57-F326 PolarHBondContact NE-O 2.86Å; L59-F326 HydrophobicContact CB-CZ 4.15Å; N71-F326 HydrophobicContact CB-CE2 4.38Å; N71-F326 VanDerWaalsContact ND2-CD2 3.26Å; N71-F326 WeakPolarHBondContact ND2-CD2 3.11Å; N71-F326 VanDerWaalsContact ND2-CE2 3.26Å; N71-F326 WeakPolarHBondContact ND2-CE2 3.5Å; T96-F326 HydrophobicContact CG2-CD2 4.31Å; I292-F326 HydrophobicContact CG2-CD1 4.43Å; I292-F326 HydrophobicContact CG2-CD2 4.42Å; I292-F326 HydrophobicContact CG2-CE1 4.25Å; I292-F326 HydrophobicContact CG2-CE2 4.28Å; I292-F326 HydrophobicContact CG2-CZ 4.2Å; I293-F326 PolarHBondContact O-N 3.28Å; E294-F326 HydrophobicContact CB-CB 3.89Å; E294-F326 HydrophobicContact CG-CB 3.92Å; V324-F326 HydrophobicContact CG1-CD1 4Å; V324-F326 HydrophobicContact CG1-CE1 3.57Å; F326-L353 HydrophobicContact CD1-CB 4.03Å; F326-L353 HydrophobicContact CD1-CD2 4.15Å; F326-L353 HydrophobicContact CD1-CG 4.49Å; F326-L353 HydrophobicContact CE1-CB 4.36Å; F326-L353 HydrophobicContact CE1-CD1 4.45Å; F326-L353 HydrophobicContact CE1-CD2 3.62Å; F326-L353 HydrophobicContact CE1-CG 4.37Å; F326-L353 HydrophobicContact CZ-CD2 4.36Å
327	T	94.8	Very high	93.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.195	C	C	.	.			trans	-63.5	133.8	-177	-53.6	0	0	0	0	112.5	C295 H325 V331 F332 Y337 N354	C295-T327 HydrophobicContact CB-CG2 3.82Å; C295-T327 PolarHBondContact N-OG1 3.34Å; H325-T327 VanDerWaalsContact C-N 3.32Å; T327-V331 HydrophobicContact CG2-CB 3.65Å; T327-V331 HydrophobicContact CG2-CG1 3.76Å; T327-F332 HydrophobicContact CG2-CB 4.2Å; T327-Y337 HydrophobicContact CG2-CD2 4.24Å; T327-Y337 HydrophobicContact CG2-CE2 3.73Å; T327-Y337 PolarHBondContact OG1-OH 2.86Å; T327-N354 WeakPolarHBondContact O-CB 3.4Å; T327-N354 PolarHBondContact O-ND2 2.99Å
328	E	91.1	Very high	94.1	Very high	63 Å²	63	36.7 Å²	36.7	29%	0.294	19%	0.19	S	C	.	.			trans	-65.9	156.1	175.6	-64.6	-64.3	172	0	0	112.6	R57 E330 V331 F332	R57-E328 IonicContact CZ-OE1 3.76Å; R57-E328 IonicContact CZ-OE2 3.47Å; R57-E328 IonicContact NH1-OE1 2.8Å; R57-E328 PolarHBondContact NH1-OE1 3.34Å; R57-E328 IonicContact NH2-OE1 3.27Å; R57-E328 PolarHBondContact NH2-OE1 3.06Å; R57-E328 IonicContact NH2-OE2 2.8Å; R57-E328 PolarHBondContact NH2-OE2 2.9Å; E328-E330 VanDerWaalsContact C-N 3.29Å; E328-E330 PolarHBondContact O-N 3.3Å; E328-V331 PolarHBondContact O-N 3.11Å; E328-V331 VanDerWaalsContact O-N 3.14Å; E328-F332 WeakPolarHBondContact O-CB 3.43Å; E328-F332 PolarHBondContact O-N 2.97Å
329	K	90.3	Very high	94.1	Very high	67 Å²	67	40 Å²	40	29%	0.291	21%	0.214	S	C	.	.	H	α-helix	trans	-53.1	-44.7	-174.7	-173	-165	-173	-63.6	0	112.5	V331 F332 D333 F356	K329-V331 PolarHBondContact O-N 3.03Å; K329-F332 PolarHBondContact O-N 2.88Å; K329-D333 WeakPolarHBondContact CG-OD2 3.47Å; K329-D333 IonicContact NZ-OD2 2.73Å; K329-D333 PolarHBondContact NZ-OD2 3.12Å; K329-D333 WeakPolarHBondContact O-CB 3.47Å; K329-D333 PolarHBondContact O-N 3.16Å; K329-F356 HydrophobicContact CB-CB 3.99Å; K329-F356 HydrophobicContact CB-CG 4.49Å; K329-F356 HydrophobicContact CD-CB 3.74Å; K329-F356 HydrophobicContact CD-CD1 3.96Å; K329-F356 HydrophobicContact CD-CD2 3.57Å; K329-F356 HydrophobicContact CD-CE1 4.49Å; K329-F356 HydrophobicContact CD-CE2 4.15Å; K329-F356 HydrophobicContact CD-CG 3.46Å; K329-F356 VanDerWaalsContact CD-CG 3.46Å; K329-F356 VanDerWaalsContact CE-CG 3.45Å; K329-F356 HydrophobicContact CG-CB 3.9Å; K329-F356 HydrophobicContact CG-CD1 4Å; K329-F356 HydrophobicContact CG-CD2 4.45Å; K329-F356 HydrophobicContact CG-CG 3.86Å
330	E	90	Very high	94.1	Very high	144 Å²	144	35.8 Å²	35.8	67%	0.673	20%	0.196	S	C	*	.	H	α-helix	trans	-61	-34	-175.3	-63	76	-166.4	0	0	112.4	E328	E328-E330 VanDerWaalsContact C-N 3.29Å; E328-E330 PolarHBondContact O-N 3.3Å
331	V	93.4	Very high	94	Very high	16 Å²	16	36.3 Å²	36.3	10%	0.097	20%	0.198	C	C	.	.	H	α-helix	trans	-90.5	-36.4	177.9	-177.2	0	0	0	0	110.9	C295 L301 T327 E328 K329 D333 N334 Y337	C295-V331 HydrophobicContact CB-CG1 3.62Å; L301-V331 HydrophobicContact CB-CG1 4.23Å; L301-V331 HydrophobicContact CD2-CG1 4.4Å; T327-V331 HydrophobicContact CG2-CB 3.65Å; T327-V331 HydrophobicContact CG2-CG1 3.76Å; E328-V331 PolarHBondContact O-N 3.11Å; E328-V331 VanDerWaalsContact O-N 3.14Å; K329-V331 PolarHBondContact O-N 3.03Å; V331-D333 PolarHBondContact O-N 3.41Å; V331-N334 WeakPolarHBondContact O-CB 3.39Å; V331-N334 PolarHBondContact O-N 2.87Å; V331-Y337 HydrophobicContact CG1-CD2 4.3Å; V331-Y337 VanDerWaalsContact O-CB 3.26Å; V331-Y337 WeakPolarHBondContact O-CB 3.47Å
332	F	93.2	Very high	93.8	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.039	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-42.7	178.4	-174.1	-94	0	0	0	111.8	H325 T327 E328 K329 N334 Y337 Q338 L341 V352 I401	H325-F332 HydrophobicContact CB-CE2 4.31Å; T327-F332 HydrophobicContact CG2-CB 4.2Å; E328-F332 WeakPolarHBondContact O-CB 3.43Å; E328-F332 PolarHBondContact O-N 2.97Å; K329-F332 PolarHBondContact O-N 2.88Å; F332-N334 PolarHBondContact O-N 3.47Å; F332-Y337 AromaticContact CD2-CD1 3.99Å; F332-Y337 HydrophobicContact CD2-CD1 3.99Å; F332-Y337 AromaticContact CD2-CE1 3.37Å; F332-Y337 HydrophobicContact CD2-CE1 3.37Å; F332-Y337 AromaticContact CD2-CZ 3.83Å; F332-Y337 HydrophobicContact CE2-CD1 4.35Å; F332-Y337 AromaticContact CE2-CE1 3.61Å; F332-Y337 HydrophobicContact CE2-CE1 3.61Å; F332-Y337 HydrophobicContact CG-CD1 4.47Å; F332-Y337 HydrophobicContact CG-CE1 4.25Å; F332-Y337 WeakPolarHBondContact O-CD1 3.28Å; F332-Q338 PolarHBondContact O-NE2 3.31Å; F332-L341 HydrophobicContact CZ-CD2 4.21Å; F332-V352 HydrophobicContact CD2-CG1 4.46Å; F332-V352 HydrophobicContact CE1-CG2 4.44Å; F332-V352 HydrophobicContact CE2-CG1 4.26Å; F332-V352 HydrophobicContact CE2-CG2 3.72Å; F332-V352 HydrophobicContact CZ-CG1 4.42Å; F332-V352 HydrophobicContact CZ-CG2 3.6Å; F332-I401 HydrophobicContact CZ-CG2 4.37Å
333	D	92.2	Very high	93.6	Very high	76 Å²	76	41.7 Å²	41.7	41%	0.406	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-5.3	179.8	-68.8	-7	0	0	0	113.3	K329 V331 S335	K329-D333 WeakPolarHBondContact CG-OD2 3.47Å; K329-D333 IonicContact NZ-OD2 2.73Å; K329-D333 PolarHBondContact NZ-OD2 3.12Å; K329-D333 WeakPolarHBondContact O-CB 3.47Å; K329-D333 PolarHBondContact O-N 3.16Å; V331-D333 PolarHBondContact O-N 3.41Å; D333-S335 PolarHBondContact O-N 3.33Å
334	N	95	Very high	93.4	Very high	51 Å²	51	42.6 Å²	42.6	27%	0.273	25%	0.246	S	C	.	.	S	Bend	trans	-60.8	137.5	177.3	-172.4	-80.8	0	0	0	110.5	L301 V331 F332 G336 Y337 Q338	L301-N334 HydrophobicContact CD2-CB 3.84Å; L301-N334 WeakPolarHBondContact CD2-OD1 3.27Å; V331-N334 WeakPolarHBondContact O-CB 3.39Å; V331-N334 PolarHBondContact O-N 2.87Å; F332-N334 PolarHBondContact O-N 3.47Å; N334-G336 PolarHBondContact O-N 3.39Å; N334-G336 PolarHBondContact OD1-N 3.02Å; N334-Y337 WeakPolarHBondContact O-CA 3.46Å; N334-Y337 WeakPolarHBondContact O-CB 3.17Å; N334-Y337 PolarHBondContact O-N 3.46Å; N334-Q338 PolarHBondContact O-N 2.76Å
335	S	94.3	Very high	93.1	Very high	98 Å²	98	48 Å²	48	69%	0.685	27%	0.269	S	S	*	.	H	α-helix	trans	-58.2	-33.7	-178.7	56	0	0	0	0	113.3	D333 C339	D333-S335 PolarHBondContact O-N 3.33Å; S335-C339 VanDerWaalsContact O-CB 3.23Å; S335-C339 WeakPolarHBondContact O-CB 3.2Å; S335-C339 PolarHBondContact O-N 3.19Å
336	G	92.3	Very high	92.6	Very high	23 Å²	23	52.8 Å²	52.8	24%	0.237	30%	0.301	C	S	.	.	H	α-helix	trans	-65.8	-39.8	174.1	0	0	0	0	0	112.4	N334 W340	N334-G336 PolarHBondContact O-N 3.39Å; N334-G336 PolarHBondContact OD1-N 3.02Å; G336-W340 WeakPolarHBondContact O-CB 3.44Å; G336-W340 PolarHBondContact O-N 3.17Å
337	Y	94.8	Very high	92.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-67	-46	176.5	-164.2	-74.2	0	0	0	110.8	C295 L301 L304 H325 T327 V331 F332 N334 C339 W340 L341	C295-Y337 HydrophobicContact CB-CE2 4.22Å; L301-Y337 HydrophobicContact CD1-CD2 3.82Å; L301-Y337 HydrophobicContact CD1-CG 4.2Å; L304-Y337 HydrophobicContact CD2-CD2 4.48Å; L304-Y337 HydrophobicContact CD2-CE2 4.04Å; H325-Y337 AromaticContact ND1-CZ 3.85Å; H325-Y337 PolarHBondContact ND1-OH 2.97Å; T327-Y337 HydrophobicContact CG2-CD2 4.24Å; T327-Y337 HydrophobicContact CG2-CE2 3.73Å; T327-Y337 PolarHBondContact OG1-OH 2.86Å; V331-Y337 HydrophobicContact CG1-CD2 4.3Å; V331-Y337 VanDerWaalsContact O-CB 3.26Å; V331-Y337 WeakPolarHBondContact O-CB 3.47Å; F332-Y337 AromaticContact CD2-CD1 3.99Å; F332-Y337 HydrophobicContact CD2-CD1 3.99Å; F332-Y337 AromaticContact CD2-CE1 3.37Å; F332-Y337 HydrophobicContact CD2-CE1 3.37Å; F332-Y337 AromaticContact CD2-CZ 3.83Å; F332-Y337 HydrophobicContact CE2-CD1 4.35Å; F332-Y337 AromaticContact CE2-CE1 3.61Å; F332-Y337 HydrophobicContact CE2-CE1 3.61Å; F332-Y337 HydrophobicContact CG-CD1 4.47Å; F332-Y337 HydrophobicContact CG-CE1 4.25Å; F332-Y337 WeakPolarHBondContact O-CD1 3.28Å; N334-Y337 WeakPolarHBondContact O-CA 3.46Å; N334-Y337 WeakPolarHBondContact O-CB 3.17Å; N334-Y337 PolarHBondContact O-N 3.46Å; Y337-C339 PolarHBondContact O-N 3.48Å; Y337-W340 HydrophobicContact CE1-CE3 4.49Å; Y337-W340 HydrophobicContact CE1-CZ3 4.44Å; Y337-W340 PolarHBondContact O-N 2.92Å; Y337-L341 WeakPolarHBondContact O-CB 3.42Å; Y337-L341 PolarHBondContact O-N 3.23Å
338	Q	94.5	Very high	92.2	Very high	73 Å²	73	59 Å²	59	34%	0.341	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-39.7	177.4	-65.8	-61.4	-43.6	0	0	112.2	F332 N334 L341 G342	F332-Q338 PolarHBondContact O-NE2 3.31Å; N334-Q338 PolarHBondContact O-N 2.76Å; Q338-L341 WeakPolarHBondContact O-CB 3.47Å; Q338-L341 PolarHBondContact O-N 3.39Å; Q338-G342 PolarHBondContact O-N 2.64Å
339	C	93.3	Very high	92.3	Very high	90 Å²	90	58.9 Å²	58.9	61%	0.608	33%	0.329	S	S	*	.	H	α-helix	trans	-62.8	-44.1	174.2	179.8	0	0	0	0	111.9	S335 Y337 G342	S335-C339 VanDerWaalsContact O-CB 3.23Å; S335-C339 WeakPolarHBondContact O-CB 3.2Å; S335-C339 PolarHBondContact O-N 3.19Å; Y337-C339 PolarHBondContact O-N 3.48Å; C339-G342 PolarHBondContact O-N 2.89Å
340	W	93.4	Very high	92.6	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.008	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-40.8	175.2	172.9	85.5	0	0	0	112	I293 L304 L307 F310 G336 Y337 G342 Q343 F344	I293-W340 HydrophobicContact CD1-CH2 3.16Å; I293-W340 HydrophobicContact CD1-CZ2 3.84Å; I293-W340 HydrophobicContact CD1-CZ3 4.01Å; L304-W340 HydrophobicContact CD1-CH2 4.29Å; L304-W340 HydrophobicContact CD1-CZ2 3.65Å; L304-W340 HydrophobicContact CD2-CD2 3.9Å; L304-W340 HydrophobicContact CD2-CE3 3.85Å; L304-W340 HydrophobicContact CD2-CH2 4.05Å; L304-W340 HydrophobicContact CD2-CZ2 4.01Å; L304-W340 HydrophobicContact CD2-CZ3 3.93Å; L304-W340 HydrophobicContact CG-CD2 3.99Å; L304-W340 HydrophobicContact CG-CE3 4.44Å; L304-W340 HydrophobicContact CG-CG 4.5Å; L304-W340 HydrophobicContact CG-CH2 4.43Å; L304-W340 HydrophobicContact CG-CZ2 3.89Å; L304-W340 PolarHBondContact O-NE1 3.16Å; L307-W340 PolarHBondContact O-NE1 3.27Å; F310-W340 HydrophobicContact CE2-CZ2 4.31Å; G336-W340 WeakPolarHBondContact O-CB 3.44Å; G336-W340 PolarHBondContact O-N 3.17Å; Y337-W340 HydrophobicContact CE1-CE3 4.49Å; Y337-W340 HydrophobicContact CE1-CZ3 4.44Å; Y337-W340 PolarHBondContact O-N 2.92Å; W340-G342 VanDerWaalsContact C-N 3.26Å; W340-G342 PolarHBondContact O-N 3.45Å; W340-Q343 WeakPolarHBondContact O-CB 3.49Å; W340-Q343 WeakPolarHBondContact O-CG 3.35Å; W340-Q343 PolarHBondContact O-N 2.88Å; W340-Q343 VanDerWaalsContact O-N 3.11Å; W340-F344 HydrophobicContact CD2-CE2 4.25Å; W340-F344 AromaticContact CE2-CE2 3.92Å; W340-F344 HydrophobicContact CE3-CE2 4.17Å; W340-F344 AromaticContact CH2-CE2 3.28Å; W340-F344 HydrophobicContact CH2-CE2 3.28Å; W340-F344 AromaticContact CH2-CZ 3.42Å; W340-F344 HydrophobicContact CH2-CZ 3.42Å; W340-F344 VanDerWaalsContact CH2-CZ 3.42Å; W340-F344 AromaticContact CZ2-CE2 3.46Å; W340-F344 HydrophobicContact CZ2-CE2 3.46Å; W340-F344 VanDerWaalsContact CZ2-CE2 3.46Å; W340-F344 AromaticContact CZ2-CZ 3.46Å; W340-F344 HydrophobicContact CZ2-CZ 3.46Å; W340-F344 VanDerWaalsContact CZ2-CZ 3.46Å; W340-F344 AromaticContact CZ3-CE2 3.71Å; W340-F344 HydrophobicContact CZ3-CE2 3.71Å; W340-F344 HydrophobicContact CZ3-CZ 4.29Å
341	L	92.6	Very high	92.8	Very high	14 Å²	14	49 Å²	49	7%	0.073	28%	0.283	C	S	.	.	H	α-helix	trans	-60.4	-34.9	176.6	-170.4	66.7	0	0	0	112.3	F332 Y337 Q338 Q343 F344 H350 I401	F332-L341 HydrophobicContact CZ-CD2 4.21Å; Y337-L341 WeakPolarHBondContact O-CB 3.42Å; Y337-L341 PolarHBondContact O-N 3.23Å; Q338-L341 WeakPolarHBondContact O-CB 3.47Å; Q338-L341 PolarHBondContact O-N 3.39Å; L341-Q343 PolarHBondContact O-N 2.86Å; L341-F344 WeakPolarHBondContact O-CD2 2.87Å; L341-F344 PolarHBondContact O-N 3.34Å; L341-H350 VanDerWaalsContact CD1-CE1 3.48Å; L341-H350 WeakPolarHBondContact CD1-CE1 3.47Å; L341-H350 VanDerWaalsContact CD1-ND1 3.25Å; L341-H350 WeakPolarHBondContact CD1-ND1 3.21Å; L341-I401 HydrophobicContact CD2-CD1 3.61Å; L341-I401 HydrophobicContact CD2-CG1 4.33Å
342	G	91.9	Very high	92.9	Very high	63 Å²	63	48.3 Å²	48.3	65%	0.649	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-5.5	176.5	0	0	0	0	0	115.4	Q338 C339 W340	Q338-G342 PolarHBondContact O-N 2.64Å; C339-G342 PolarHBondContact O-N 2.89Å; W340-G342 VanDerWaalsContact C-N 3.26Å; W340-G342 PolarHBondContact O-N 3.45Å
343	Q	92.3	Very high	93	Very high	86 Å²	86	47.9 Å²	47.9	40%	0.402	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-13.1	178.3	-59.9	179	16.2	0	0	113.4	A309 W340 L341	A309-Q343 HydrophobicContact CB-CB 3.8Å; A309-Q343 WeakPolarHBondContact CB-O 3.37Å; W340-Q343 WeakPolarHBondContact O-CB 3.49Å; W340-Q343 WeakPolarHBondContact O-CG 3.35Å; W340-Q343 PolarHBondContact O-N 2.88Å; W340-Q343 VanDerWaalsContact O-N 3.11Å; L341-Q343 PolarHBondContact O-N 2.86Å
344	F	92.2	Very high	92.9	Very high	19 Å²	19	44.3 Å²	44.3	8%	0.083	26%	0.258	C	S	.	.	S	Bend	trans	-77.6	150.7	-179.8	-71.5	-91.3	0	0	0	111.6	A309 F310 L320 V323 W340 L341 T348 H350	A309-F344 HydrophobicContact CB-CD1 4.24Å; A309-F344 HydrophobicContact CB-CD2 4.39Å; A309-F344 HydrophobicContact CB-CE1 4.23Å; A309-F344 HydrophobicContact CB-CE2 4.38Å; A309-F344 HydrophobicContact CB-CG 4.32Å; A309-F344 HydrophobicContact CB-CZ 4.31Å; F310-F344 AromaticContact CD2-CE1 3.9Å; F310-F344 HydrophobicContact CD2-CE1 3.9Å; F310-F344 AromaticContact CD2-CZ 3.95Å; F310-F344 HydrophobicContact CD2-CZ 3.95Å; F310-F344 HydrophobicContact CE2-CZ 4.21Å; L320-F344 HydrophobicContact CD2-CD1 3.73Å; L320-F344 HydrophobicContact CD2-CE1 3.66Å; V323-F344 HydrophobicContact CG2-CD1 4.04Å; V323-F344 HydrophobicContact CG2-CE1 3.65Å; V323-F344 HydrophobicContact CG2-CZ 4.13Å; W340-F344 HydrophobicContact CD2-CE2 4.25Å; W340-F344 AromaticContact CE2-CE2 3.92Å; W340-F344 HydrophobicContact CE3-CE2 4.17Å; W340-F344 AromaticContact CH2-CE2 3.28Å; W340-F344 HydrophobicContact CH2-CE2 3.28Å; W340-F344 AromaticContact CH2-CZ 3.42Å; W340-F344 HydrophobicContact CH2-CZ 3.42Å; W340-F344 VanDerWaalsContact CH2-CZ 3.42Å; W340-F344 AromaticContact CZ2-CE2 3.46Å; W340-F344 HydrophobicContact CZ2-CE2 3.46Å; W340-F344 VanDerWaalsContact CZ2-CE2 3.46Å; W340-F344 AromaticContact CZ2-CZ 3.46Å; W340-F344 HydrophobicContact CZ2-CZ 3.46Å; W340-F344 VanDerWaalsContact CZ2-CZ 3.46Å; W340-F344 AromaticContact CZ3-CE2 3.71Å; W340-F344 HydrophobicContact CZ3-CE2 3.71Å; W340-F344 HydrophobicContact CZ3-CZ 4.29Å; L341-F344 WeakPolarHBondContact O-CD2 2.87Å; L341-F344 PolarHBondContact O-N 3.34Å; F344-T348 HydrophobicContact CD1-CG2 4.16Å; F344-H350 AromaticContact CD2-CE1 3.69Å; F344-H350 AromaticContact CG-CE1 3.61Å; F344-H350 AromaticContact CG-NE2 3.78Å
345	K	89.9	Confident	92.7	Very high	113 Å²	113	44.9 Å²	44.9	49%	0.491	26%	0.259	S	S	.	.			trans	-65.6	145.3	175.4	-65	175.7	177.7	148.8	0	111.1	D311 E347 T348	D311-K345 WeakPolarHBondContact OD1-CD 3.32Å; D311-K345 WeakPolarHBondContact OD1-CE 3.29Å; D311-K345 IonicContact OD1-NZ 2.77Å; D311-K345 PolarHBondContact OD1-NZ 3.33Å; K345-E347 WeakPolarHBondContact CB-OE2 3.18Å; K345-E347 PolarHBondContact O-N 2.93Å; K345-T348 VanDerWaalsContact O-CB 3.31Å; K345-T348 WeakPolarHBondContact O-CB 3.47Å; K345-T348 PolarHBondContact O-N 3.28Å; K345-T348 PolarHBondContact O-OG1 3.07Å
346	P	87.7	Confident	92.3	Very high	102 Å²	102	46.3 Å²	46.3	66%	0.662	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.2	-177.4	-26.2	35	0	0	0	115.2	T348	P346-T348 VanDerWaalsContact C-N 3.29Å
347	E	88.6	Confident	92.1	Very high	125 Å²	125	48.1 Å²	48.1	58%	0.584	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-11.3	179.5	-52.4	79.5	-174.1	0	0	113.4	K345	K345-E347 WeakPolarHBondContact CB-OE2 3.18Å; K345-E347 PolarHBondContact O-N 2.93Å
348	T	93.1	Very high	91.8	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.025	26%	0.258	C	S	.	.			trans	-75	124	177.7	-53.1	0	0	0	0	109.2	L320 V323 F344 K345 P346 H350 T400	L320-T348 HydrophobicContact CD2-CG2 3.9Å; L320-T348 HydrophobicContact CG-CG2 4.11Å; V323-T348 HydrophobicContact CG2-CG2 3.88Å; F344-T348 HydrophobicContact CD1-CG2 4.16Å; K345-T348 VanDerWaalsContact O-CB 3.31Å; K345-T348 WeakPolarHBondContact O-CB 3.47Å; K345-T348 PolarHBondContact O-N 3.28Å; K345-T348 PolarHBondContact O-OG1 3.07Å; P346-T348 VanDerWaalsContact C-N 3.29Å; T348-H350 PolarHBondContact O-CD2 2.93Å; T348-T400 WeakPolarHBondContact O-CG2 3.09Å
349	K	94.1	Very high	91.3	Very high	62 Å²	62	46.9 Å²	46.9	27%	0.27	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.6	179.4	-80.5	178.1	171.7	-162.7	0	111.6	Y321 A322 V323 F351 M402 F410 G417	Y321-K349 PolarHBondContact O-N 2.9Å; A322-K349 CarbonylContact C-O 3.58Å; A322-K349 WeakPolarHBondContact CA-O 3.46Å; A322-K349 HydrophobicContact CB-CB 4.45Å; V323-K349 PolarHBondContact N-O 3.44Å; K349-F351 HydrophobicContact CB-CE2 3.99Å; K349-F351 HydrophobicContact CB-CZ 4.43Å; K349-M402 HydrophobicContact CB-CE 3.49Å; K349-M402 VanDerWaalsContact CB-CE 3.49Å; K349-M402 HydrophobicContact CD-CE 3.83Å; K349-M402 HydrophobicContact CG-CE 3.72Å; K349-F410 HydrophobicContact CD-CE2 3.61Å; K349-F410 HydrophobicContact CD-CZ 4.19Å; K349-G417 PolarHBondContact NZ-O 2.72Å
350	H	95.1	Very high	90.8	Very high	4 Å²	4	45 Å²	45	2%	0.019	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.7	179.9	-67.7	-98.5	0	0	0	110.2	V323 H325 L341 F344 T348 T400 I401 M402	V323-H350 CarbonylContact O-C 3.48Å; V323-H350 WeakPolarHBondContact O-CA 3.44Å; H325-H350 AromaticContact CD2-ND1 4Å; H325-H350 AromaticContact CE1-ND1 3.66Å; H325-H350 AromaticContact NE2-CE1 3.95Å; H325-H350 AromaticContact NE2-CG 3.66Å; H325-H350 AromaticContact NE2-ND1 2.87Å; H325-H350 PolarHBondContact NE2-ND1 3.44Å; L341-H350 VanDerWaalsContact CD1-CE1 3.48Å; L341-H350 WeakPolarHBondContact CD1-CE1 3.47Å; L341-H350 VanDerWaalsContact CD1-ND1 3.25Å; L341-H350 WeakPolarHBondContact CD1-ND1 3.21Å; F344-H350 AromaticContact CD2-CE1 3.69Å; F344-H350 AromaticContact CG-CE1 3.61Å; F344-H350 AromaticContact CG-NE2 3.78Å; T348-H350 PolarHBondContact O-CD2 2.93Å; H350-T400 PolarHBondContact N-O 3.33Å; H350-I401 HydrophobicContact CB-CG1 4.21Å; H350-I401 CarbonylContact O-C 3.55Å; H350-M402 PolarHBondContact O-N 3.49Å
351	F	95.4	Very high	90.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.7	179.7	-66.9	-82.1	0	0	0	109.3	F45 A322 V323 V324 H325 K349 L353 M402 T404 L408 F410 T419	F45-F351 HydrophobicContact CE2-CD2 4.36Å; F45-F351 HydrophobicContact CE2-CE2 4.33Å; F45-F351 AromaticContact CZ-CD2 3.77Å; F45-F351 HydrophobicContact CZ-CD2 3.77Å; F45-F351 AromaticContact CZ-CE2 3.62Å; F45-F351 HydrophobicContact CZ-CE2 3.62Å; F45-F351 HydrophobicContact CZ-CZ 4.26Å; A322-F351 HydrophobicContact CB-CD2 4.02Å; A322-F351 HydrophobicContact CB-CE2 3.75Å; V323-F351 PolarHBondContact O-N 2.7Å; V324-F351 CarbonylContact C-O 3.57Å; V324-F351 WeakPolarHBondContact CA-O 3.24Å; V324-F351 HydrophobicContact CG1-CB 4.36Å; V324-F351 HydrophobicContact CG2-CB 4.39Å; V324-F351 HydrophobicContact CG2-CD2 4.43Å; H325-F351 PolarHBondContact N-O 2.99Å; K349-F351 HydrophobicContact CB-CE2 3.99Å; K349-F351 HydrophobicContact CB-CZ 4.43Å; F351-L353 HydrophobicContact CB-CD1 4.31Å; F351-M402 HydrophobicContact CD1-CB 4.31Å; F351-M402 HydrophobicContact CD1-CE 3.67Å; F351-M402 HydrophobicContact CD2-CE 4.17Å; F351-M402 HydrophobicContact CE1-CE 3.17Å; F351-M402 HydrophobicContact CE1-SD 3.94Å; F351-M402 HydrophobicContact CE2-CE 3.72Å; F351-M402 HydrophobicContact CG-CE 4.16Å; F351-M402 HydrophobicContact CZ-CE 3.22Å; F351-M402 HydrophobicContact CZ-SD 4.33Å; F351-T404 HydrophobicContact CB-CG2 3.73Å; F351-T404 HydrophobicContact CD1-CG2 3.8Å; F351-T404 HydrophobicContact CG-CG2 4.24Å; F351-L408 HydrophobicContact CD1-CD2 4.09Å; F351-L408 HydrophobicContact CE1-CD1 4.17Å; F351-L408 HydrophobicContact CE1-CD2 3.56Å; F351-L408 HydrophobicContact CZ-CD2 4.23Å; F351-F410 HydrophobicContact CE2-CB 4.49Å; F351-F410 AromaticContact CE2-CD2 3.86Å; F351-F410 HydrophobicContact CE2-CD2 3.86Å; F351-F410 HydrophobicContact CE2-CE2 4.11Å; F351-F410 HydrophobicContact CE2-CG 4.05Å; F351-F410 HydrophobicContact CZ-CB 4.22Å; F351-F410 AromaticContact CZ-CD2 3.51Å; F351-F410 HydrophobicContact CZ-CD2 3.51Å; F351-F410 AromaticContact CZ-CE2 3.98Å; F351-F410 HydrophobicContact CZ-CE2 3.98Å; F351-F410 AromaticContact CZ-CG 3.98Å; F351-F410 HydrophobicContact CZ-CG 3.98Å; F351-T419 HydrophobicContact CE1-CG2 4.1Å; F351-T419 HydrophobicContact CZ-CG2 3.87Å
352	V	94.7	Very high	89.8	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.5	-178.2	-173	0	0	0	0	110.3	H325 F332 N354 M357 S358 I401 M402 T404	H325-V352 HydrophobicContact CB-CG2 4.44Å; F332-V352 HydrophobicContact CD2-CG1 4.46Å; F332-V352 HydrophobicContact CE1-CG2 4.44Å; F332-V352 HydrophobicContact CE2-CG1 4.26Å; F332-V352 HydrophobicContact CE2-CG2 3.72Å; F332-V352 HydrophobicContact CZ-CG1 4.42Å; F332-V352 HydrophobicContact CZ-CG2 3.6Å; V352-N354 VanDerWaalsContact CG1-ND2 3.29Å; V352-N354 WeakPolarHBondContact CG1-ND2 3.47Å; V352-M357 HydrophobicContact CB-CB 4.22Å; V352-M357 HydrophobicContact CB-CG 4.35Å; V352-M357 HydrophobicContact CG1-CB 3.98Å; V352-M357 HydrophobicContact CG1-CG 3.94Å; V352-S358 PolarHBondContact O-OG 3.01Å; V352-I401 HydrophobicContact CG2-CG2 3.61Å; V352-M402 PolarHBondContact N-O 3.31Å; V352-M402 VanDerWaalsContact N-O 3.14Å; V352-T404 PolarHBondContact O-OG1 2.69Å
353	L	94.7	Very high	89.6	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.			trans	-114	88.7	177.9	-75.6	73.7	0	0	0	108.6	V47 N50 R57 V324 H325 F326 F351 T404	V47-L353 HydrophobicContact CG1-CD2 3.89Å; V47-L353 HydrophobicContact CG1-CG 4.47Å; V47-L353 HydrophobicContact CG2-CD2 4.43Å; N50-L353 CarbonylContact O-C 3.22Å; N50-L353 WeakPolarHBondContact O-CA 3.24Å; N50-L353 WeakPolarHBondContact O-CB 3.21Å; R57-L353 WeakPolarHBondContact CD-O 3.32Å; R57-L353 HydrophobicContact CG-CB 4.33Å; R57-L353 PolarHBondContact NE-O 3.33Å; V324-L353 HydrophobicContact CG1-CD1 3.55Å; H325-L353 PolarHBondContact O-N 2.87Å; F326-L353 HydrophobicContact CD1-CB 4.03Å; F326-L353 HydrophobicContact CD1-CD2 4.15Å; F326-L353 HydrophobicContact CD1-CG 4.49Å; F326-L353 HydrophobicContact CE1-CB 4.36Å; F326-L353 HydrophobicContact CE1-CD1 4.45Å; F326-L353 HydrophobicContact CE1-CD2 3.62Å; F326-L353 HydrophobicContact CE1-CG 4.37Å; F326-L353 HydrophobicContact CZ-CD2 4.36Å; F351-L353 HydrophobicContact CB-CD1 4.31Å; L353-T404 HydrophobicContact CD1-CG2 3.6Å; L353-T404 HydrophobicContact CG-CG2 4.34Å; L353-T404 WeakPolarHBondContact CG-OG1 3.31Å
354	N	91.9	Very high	89.3	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.191	C	C	.	.	S	Bend	trans	-154.2	164	175	67.1	31.3	0	0	0	111.7	G51 T327 V352 F356 M357 S358	G51-N354 CarbonylContact O-C 3.25Å; T327-N354 WeakPolarHBondContact O-CB 3.4Å; T327-N354 PolarHBondContact O-ND2 2.99Å; V352-N354 VanDerWaalsContact CG1-ND2 3.29Å; V352-N354 WeakPolarHBondContact CG1-ND2 3.47Å; N354-F356 PolarHBondContact O-N 3.07Å; N354-F356 PolarHBondContact OD1-N 3.29Å; N354-M357 PolarHBondContact O-N 2.85Å; N354-M357 WeakPolarHBondContact OD1-CB 3.26Å; N354-M357 PolarHBondContact OD1-N 3.23Å; N354-S358 PolarHBondContact N-OG 2.89Å; N354-S358 VanDerWaalsContact N-OG 3.13Å; N354-S358 WeakPolarHBondContact O-CB 3.4Å; N354-S358 PolarHBondContact O-N 2.84Å; N354-S358 PolarHBondContact O-OG 3.41Å
355	E	89.5	Confident	88.9	Confident	64 Å²	64	39 Å²	39	30%	0.299	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.7	-172	-173.1	-175.2	125.1	0	0	112.7	G51 F53 K513 R552	G51-E355 WeakPolarHBondContact O-CA 3.36Å; G51-E355 PolarHBondContact O-N 3.4Å; F53-E355 HydrophobicContact CB-CG 4.04Å; E355-K513 VanDerWaalsContact OE1-CE 3.26Å; E355-K513 WeakPolarHBondContact OE1-CE 3.4Å; E355-K513 IonicContact OE1-NZ 3.34Å; E355-K513 PolarHBondContact OE1-NZ 2.93Å; E355-R552 IonicContact OE1-CZ 3.66Å; E355-R552 IonicContact OE1-NH1 2.69Å; E355-R552 PolarHBondContact OE1-NH1 3.32Å; E355-R552 IonicContact OE1-NH2 3.9Å; E355-R552 PolarHBondContact OE1-NH2 2.76Å; E355-R552 IonicContact OE2-NH1 3.65Å; E355-R552 PolarHBondContact OE2-NH1 3.41Å
356	F	87	Confident	88.7	Confident	127 Å²	127	34 Å²	34	56%	0.557	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-45.8	-175	-178.8	-104.9	0	0	0	113.4	K329 N354	K329-F356 HydrophobicContact CB-CB 3.99Å; K329-F356 HydrophobicContact CB-CG 4.49Å; K329-F356 HydrophobicContact CD-CB 3.74Å; K329-F356 HydrophobicContact CD-CD1 3.96Å; K329-F356 HydrophobicContact CD-CD2 3.57Å; K329-F356 HydrophobicContact CD-CE1 4.49Å; K329-F356 HydrophobicContact CD-CE2 4.15Å; K329-F356 HydrophobicContact CD-CG 3.46Å; K329-F356 VanDerWaalsContact CD-CG 3.46Å; K329-F356 VanDerWaalsContact CE-CG 3.45Å; K329-F356 HydrophobicContact CG-CB 3.9Å; K329-F356 HydrophobicContact CG-CD1 4Å; K329-F356 HydrophobicContact CG-CD2 4.45Å; K329-F356 HydrophobicContact CG-CG 3.86Å; N354-F356 PolarHBondContact O-N 3.07Å; N354-F356 PolarHBondContact OD1-N 3.29Å
357	M	87.7	Confident	88.7	Confident	62 Å²	62	30 Å²	30	31%	0.305	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-24.9	-176.5	-71.5	-65.4	-70.6	0	0	112.9	V352 N354 P359 S403	V352-M357 HydrophobicContact CB-CB 4.22Å; V352-M357 HydrophobicContact CB-CG 4.35Å; V352-M357 HydrophobicContact CG1-CB 3.98Å; V352-M357 HydrophobicContact CG1-CG 3.94Å; N354-M357 PolarHBondContact O-N 2.85Å; N354-M357 WeakPolarHBondContact OD1-CB 3.26Å; N354-M357 PolarHBondContact OD1-N 3.23Å; M357-P359 WeakPolarHBondContact O-CD 3.48Å; M357-S403 WeakPolarHBondContact O-CB 3.47Å; M357-S403 PolarHBondContact O-OG 2.7Å
358	S	89.1	Confident	88.5	Confident	6 Å²	6	24.2 Å²	24.2	4%	0.042	12%	0.117	C	C	.	.	S	Bend	trans	-91.5	117	-170.4	-58.4	0	0	0	0	111.1	N50 C52 V352 N354	N50-S358 VanDerWaalsContact O-CB 3.27Å; N50-S358 WeakPolarHBondContact O-CB 3.1Å; N50-S358 PolarHBondContact O-OG 3.38Å; C52-S358 WeakPolarHBondContact CB-O 3.44Å; V352-S358 PolarHBondContact O-OG 3.01Å; N354-S358 PolarHBondContact N-OG 2.89Å; N354-S358 VanDerWaalsContact N-OG 3.13Å; N354-S358 WeakPolarHBondContact O-CB 3.4Å; N354-S358 PolarHBondContact O-N 2.84Å; N354-S358 PolarHBondContact O-OG 3.41Å
359	P	83.1	Confident	88.2	Confident	40 Å²	40	28.6 Å²	28.6	26%	0.26	13%	0.133	S	C	.	.			trans	-63.3	145.2	179.9	26.7	-37.2	0	0	0	111	N50 M357 K361 S403 T404 E405	N50-P359 PolarHBondContact ND2-O 3.45Å; M357-P359 WeakPolarHBondContact O-CD 3.48Å; P359-K361 HydrophobicContact CB-CG 4.28Å; P359-K361 HydrophobicContact CG-CG 4.39Å; P359-K361 PolarHBondContact O-N 2.8Å; P359-K361 VanDerWaalsContact O-N 3.14Å; P359-S403 WeakPolarHBondContact CD-OG 3.42Å; P359-T404 WeakPolarHBondContact CD-O 3.2Å; P359-E405 HydrophobicContact CG-CG 3.96Å
360	Y	82.1	Confident	87.7	Confident	50 Å²	50	26.1 Å²	26.1	20%	0.196	12%	0.122	C	C	.	.			trans	-74	103.5	169.9	-161.5	-116.4	0	0	0	108.2	C52 F53 L387 C508	C52-Y360 HydrophobicContact CB-CD2 4.13Å; C52-Y360 WeakPolarHBondContact SG-CD2 3.29Å; F53-Y360 VanDerWaalsContact O-CD2 3.32Å; F53-Y360 WeakPolarHBondContact O-CD2 3.5Å; F53-Y360 WeakPolarHBondContact O-CE2 3.45Å; Y360-L387 HydrophobicContact CD1-CD1 3.12Å; Y360-L387 HydrophobicContact CD1-CD2 3.99Å; Y360-L387 HydrophobicContact CD1-CG 3.6Å; Y360-L387 HydrophobicContact CE1-CD1 3.37Å; Y360-L387 HydrophobicContact CE1-CG 3.84Å; Y360-L387 HydrophobicContact CG-CD1 3.91Å; Y360-L387 WeakPolarHBondContact O-CD1 3.03Å; Y360-C508 PolarHBondContact OH-O 3.09Å
361	K	83.7	Confident	87.4	Confident	29 Å²	29	26.6 Å²	26.6	13%	0.126	13%	0.125	C	C	.	.			trans	-126.2	154.1	176.6	-69.4	-159.7	-178.5	-166.2	0	111.9	P359 H363 A391 T393 E405 P406	P359-K361 HydrophobicContact CB-CG 4.28Å; P359-K361 HydrophobicContact CG-CG 4.39Å; P359-K361 PolarHBondContact O-N 2.8Å; P359-K361 VanDerWaalsContact O-N 3.14Å; K361-H363 PolarHBondContact O-N 2.87Å; K361-H363 VanDerWaalsContact O-N 3.07Å; K361-H363 PolarHBondContact O-ND1 3.06Å; K361-A391 PolarHBondContact NZ-O 3.06Å; K361-T393 PolarHBondContact NZ-OG1 3.49Å; K361-E405 HydrophobicContact CD-CB 4.39Å; K361-E405 HydrophobicContact CD-CG 4.06Å; K361-E405 WeakPolarHBondContact CD-OE2 3.44Å; K361-E405 WeakPolarHBondContact CE-OE1 3.37Å; K361-E405 VanDerWaalsContact CE-OE2 3.25Å; K361-E405 WeakPolarHBondContact CE-OE2 2.95Å; K361-E405 IonicContact NZ-OE1 2.7Å; K361-E405 PolarHBondContact NZ-OE1 2.99Å; K361-E405 IonicContact NZ-OE2 3.45Å; K361-E405 PolarHBondContact NZ-OE2 3.5Å; K361-P406 HydrophobicContact CB-CG 4.4Å
362	P	82.2	Confident	87.1	Confident	9 Å²	9	26.7 Å²	26.7	6%	0.058	13%	0.126	C	C	.	.			trans	-60.3	110.2	178.8	-28.1	39.3	0	0	0	113.4	F368 L387 Y390 K423	P362-F368 HydrophobicContact CB-CD2 3.68Å; P362-F368 HydrophobicContact CB-CE1 4.43Å; P362-F368 HydrophobicContact CB-CE2 3.52Å; P362-F368 HydrophobicContact CB-CG 4.19Å; P362-F368 HydrophobicContact CB-CZ 3.92Å; P362-F368 HydrophobicContact CG-CD1 4.25Å; P362-F368 HydrophobicContact CG-CD2 4.24Å; P362-F368 HydrophobicContact CG-CE1 4Å; P362-F368 HydrophobicContact CG-CE2 3.96Å; P362-F368 HydrophobicContact CG-CG 4.36Å; P362-F368 HydrophobicContact CG-CZ 3.82Å; P362-L387 HydrophobicContact CG-CB 4.11Å; P362-L387 HydrophobicContact CG-CD1 4.31Å; P362-Y390 HydrophobicContact CB-CE2 4.34Å; P362-Y390 HydrophobicContact CG-CE1 4.46Å; P362-Y390 HydrophobicContact CG-CE2 3.91Å; P362-K423 PolarHBondContact O-NZ 2.84Å
363	H	87	Confident	86.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-72.9	-47	175.5	-71.2	57.5	0	0	0	111.2	I48 N50 C52 L79 K361 P406 W407	I48-H363 PolarHBondContact O-CD2 3.46Å; N50-H363 PolarHBondContact OD1-CE1 3.3Å; N50-H363 PolarHBondContact OD1-NE2 2.98Å; C52-H363 VanDerWaalsContact SG-CE1 3.58Å; L79-H363 HydrophobicContact CD1-CB 4.27Å; L79-H363 HydrophobicContact CD2-CB 3.84Å; K361-H363 PolarHBondContact O-N 2.87Å; K361-H363 VanDerWaalsContact O-N 3.07Å; K361-H363 PolarHBondContact O-ND1 3.06Å; H363-P406 WeakPolarHBondContact CE1-CG 3.48Å; H363-P406 WeakPolarHBondContact ND1-CG 3.49Å; H363-W407 PolarHBondContact O-NE1 2.74Å
364	S	86.5	Confident	86.3	Confident	4 Å²	4	29.3 Å²	29.3	3%	0.028	14%	0.138	C	C	.	.			trans	-93.6	125	175	178.2	0	0	0	0	109.4	R78 E82 V367 F368	R78-S364 PolarHBondContact NH1-OG 2.89Å; E82-S364 PolarHBondContact OE1-OG 2.63Å; E82-S364 WeakPolarHBondContact OE2-CA 3.42Å; E82-S364 WeakPolarHBondContact OE2-CB 3.2Å; E82-S364 PolarHBondContact OE2-OG 2.83Å; S364-V367 WeakPolarHBondContact OG-CG2 3.46Å; S364-F368 VanDerWaalsContact O-CD2 3.25Å; S364-F368 WeakPolarHBondContact O-CD2 3.46Å
365	E	83.6	Confident	86.2	Confident	17 Å²	17	29.8 Å²	29.8	8%	0.079	14%	0.141	C	C	.	.	H	α-helix	trans	-77.6	-40.3	172.7	-153.8	-178.4	156.8	0	0	111.7	E82 V367 F368 R369 F426	E82-E365 PolarHBondContact OE1-N 3.4Å; E365-V367 PolarHBondContact O-N 3.32Å; E365-F368 PolarHBondContact O-N 3.19Å; E365-F368 VanDerWaalsContact O-N 3.13Å; E365-R369 HydrophobicContact CG-CG 4.32Å; E365-R369 PolarHBondContact O-N 3.07Å; E365-R369 IonicContact OE1-CZ 3.28Å; E365-R369 IonicContact OE1-NE 3.42Å; E365-R369 PolarHBondContact OE1-NE 3.01Å; E365-R369 IonicContact OE1-NH2 3.37Å; E365-R369 PolarHBondContact OE1-NH2 2.85Å; E365-F426 HydrophobicContact CG-CB 4.13Å
366	A	85.6	Confident	86.1	Confident	9 Å²	9	29.6 Å²	29.6	7%	0.074	14%	0.138	C	C	.	.	H	α-helix	trans	-60.5	-37.2	-169.7	0	0	0	0	0	111.7	E82 F370 R478 T479	E82-A366 HydrophobicContact CG-CB 4.42Å; E82-A366 WeakPolarHBondContact OE1-CB 3.33Å; E82-A366 PolarHBondContact OE1-N 3.2Å; A366-F370 PolarHBondContact O-N 2.87Å; A366-F370 VanDerWaalsContact O-N 3.08Å; A366-R478 HydrophobicContact CB-CB 3.91Å; A366-T479 HydrophobicContact CB-CG2 3.75Å
367	V	87.1	Confident	86.1	Confident	16 Å²	16	26 Å²	26	10%	0.097	13%	0.126	C	C	.	.	H	α-helix	trans	-65.3	-45.7	176.9	179	0	0	0	0	112	S364 E365 F370 N371 L385	S364-V367 WeakPolarHBondContact OG-CG2 3.46Å; E365-V367 PolarHBondContact O-N 3.32Å; V367-F370 PolarHBondContact O-N 3.27Å; V367-N371 WeakPolarHBondContact O-CB 3.46Å; V367-N371 PolarHBondContact O-N 3.38Å; V367-L385 HydrophobicContact CG1-CD1 3.69Å
368	F	86.3	Confident	86	Confident	5 Å²	5	24 Å²	24	2%	0.022	12%	0.118	C	C	.	.	H	α-helix	trans	-70	-42.7	-178.9	-76	-97	0	0	0	111.7	P362 S364 E365 F370 N371 V372 L385 L387 F426 T509	P362-F368 HydrophobicContact CB-CD2 3.68Å; P362-F368 HydrophobicContact CB-CE1 4.43Å; P362-F368 HydrophobicContact CB-CE2 3.52Å; P362-F368 HydrophobicContact CB-CG 4.19Å; P362-F368 HydrophobicContact CB-CZ 3.92Å; P362-F368 HydrophobicContact CG-CD1 4.25Å; P362-F368 HydrophobicContact CG-CD2 4.24Å; P362-F368 HydrophobicContact CG-CE1 4Å; P362-F368 HydrophobicContact CG-CE2 3.96Å; P362-F368 HydrophobicContact CG-CG 4.36Å; P362-F368 HydrophobicContact CG-CZ 3.82Å; S364-F368 VanDerWaalsContact O-CD2 3.25Å; S364-F368 WeakPolarHBondContact O-CD2 3.46Å; E365-F368 PolarHBondContact O-N 3.19Å; E365-F368 VanDerWaalsContact O-N 3.13Å; F368-F370 VanDerWaalsContact C-N 3.26Å; F368-F370 PolarHBondContact O-N 2.94Å; F368-N371 PolarHBondContact O-N 2.96Å; F368-V372 PolarHBondContact O-N 3.39Å; F368-V372 VanDerWaalsContact O-N 3.11Å; F368-L385 HydrophobicContact CD1-CB 4.14Å; F368-L385 HydrophobicContact CD1-CD1 4.01Å; F368-L385 HydrophobicContact CD2-CD1 4.24Å; F368-L385 HydrophobicContact CE1-CB 3.69Å; F368-L385 HydrophobicContact CE1-CD1 3.96Å; F368-L385 HydrophobicContact CE1-CG 4.46Å; F368-L385 HydrophobicContact CE2-CD1 4.23Å; F368-L385 HydrophobicContact CG-CD1 4.16Å; F368-L385 HydrophobicContact CZ-CB 4.29Å; F368-L385 HydrophobicContact CZ-CD1 4.1Å; F368-L387 VanDerWaalsContact CE1-C 3.48Å; F368-L387 HydrophobicContact CE1-CB 3.69Å; F368-L387 VanDerWaalsContact CE1-O 3.25Å; F368-L387 WeakPolarHBondContact CE1-O 3.32Å; F368-L387 HydrophobicContact CZ-CB 3.95Å; F368-F426 HydrophobicContact CB-CE1 4.28Å; F368-F426 HydrophobicContact CB-CZ 4.2Å; F368-T509 HydrophobicContact CE2-CG2 4.26Å; F368-T509 HydrophobicContact CZ-CG2 4.25Å
369	R	85.4	Confident	85.8	Confident	96 Å²	96	29.8 Å²	29.8	36%	0.362	14%	0.143	S	C	.	.	H	α-helix	trans	-53.4	-46.7	171.9	-79.7	-176.9	175.7	-136.3	3.7	111.6	E365 V372 Q373 F426 L431	E365-R369 HydrophobicContact CG-CG 4.32Å; E365-R369 PolarHBondContact O-N 3.07Å; E365-R369 IonicContact OE1-CZ 3.28Å; E365-R369 IonicContact OE1-NE 3.42Å; E365-R369 PolarHBondContact OE1-NE 3.01Å; E365-R369 IonicContact OE1-NH2 3.37Å; E365-R369 PolarHBondContact OE1-NH2 2.85Å; R369-V372 PolarHBondContact O-N 3.07Å; R369-Q373 PolarHBondContact O-N 3.28Å; R369-F426 HydrophobicContact CB-CD2 4.47Å; R369-F426 HydrophobicContact CB-CE2 4.07Å; R369-F426 HydrophobicContact CG-CD2 3.35Å; R369-F426 HydrophobicContact CG-CE2 3.37Å; R369-L431 HydrophobicContact CB-CD2 4.2Å; R369-L431 HydrophobicContact CG-CD2 4.31Å; R369-L431 WeakPolarHBondContact O-CD2 3.31Å
370	F	85.1	Confident	85.8	Confident	9 Å²	9	35.1 Å²	35.1	4%	0.039	17%	0.169	C	C	.	.	H	α-helix	trans	-69.3	-41.7	179	-178.8	-116.8	0	0	0	113.9	A366 V367 F368 V372 Q373 L374 G730 D731 D732	A366-F370 PolarHBondContact O-N 2.87Å; A366-F370 VanDerWaalsContact O-N 3.08Å; V367-F370 PolarHBondContact O-N 3.27Å; F368-F370 VanDerWaalsContact C-N 3.26Å; F368-F370 PolarHBondContact O-N 2.94Å; F370-V372 PolarHBondContact O-N 3.45Å; F370-Q373 HydrophobicContact CD2-CB 4.2Å; F370-Q373 WeakPolarHBondContact O-CA 3.27Å; F370-Q373 WeakPolarHBondContact O-CB 3.39Å; F370-Q373 PolarHBondContact O-N 2.73Å; F370-L374 HydrophobicContact CD1-CB 4.47Å; F370-L374 HydrophobicContact CD1-CD1 3.26Å; F370-L374 HydrophobicContact CD1-CD2 4.39Å; F370-L374 HydrophobicContact CD1-CG 3.43Å; F370-L374 VanDerWaalsContact CD1-CG 3.43Å; F370-L374 HydrophobicContact CD2-CG 4.08Å; F370-L374 HydrophobicContact CE1-CB 4.42Å; F370-L374 HydrophobicContact CE1-CD1 2.88Å; F370-L374 HydrophobicContact CE1-CD2 3.58Å; F370-L374 HydrophobicContact CE1-CG 3.05Å; F370-L374 HydrophobicContact CE2-CD1 4.36Å; F370-L374 HydrophobicContact CE2-CD2 3.72Å; F370-L374 HydrophobicContact CE2-CG 3.58Å; F370-L374 HydrophobicContact CG-CD1 4.37Å; F370-L374 HydrophobicContact CG-CG 4.13Å; F370-L374 HydrophobicContact CZ-CD1 3.56Å; F370-L374 HydrophobicContact CZ-CD2 3.2Å; F370-L374 HydrophobicContact CZ-CG 3.17Å; F370-L374 PolarHBondContact O-N 2.81Å; F370-G730 VanDerWaalsContact CG-C 3.4Å; F370-D731 WeakPolarHBondContact CE2-O 3.35Å; F370-D731 WeakPolarHBondContact CZ-O 3.4Å; F370-D732 HydrophobicContact CE2-CB 4.34Å; F370-D732 VanDerWaalsContact CE2-N 3.28Å
371	N	88.7	Confident	85.9	Confident	14 Å²	14	38.2 Å²	38.2	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-57.5	-37	179.9	174.1	-107.5	0	0	0	111.4	V367 F368 Q373 L374 N375 P383 F384 L385	V367-N371 WeakPolarHBondContact O-CB 3.46Å; V367-N371 PolarHBondContact O-N 3.38Å; F368-N371 PolarHBondContact O-N 2.96Å; N371-Q373 VanDerWaalsContact C-N 3.34Å; N371-Q373 PolarHBondContact O-N 2.86Å; N371-L374 PolarHBondContact O-N 3.12Å; N371-N375 WeakPolarHBondContact O-CB 3.49Å; N371-N375 PolarHBondContact O-N 3.45Å; N371-P383 PolarHBondContact ND2-O 2.9Å; N371-F384 VanDerWaalsContact OD1-CA 3.28Å; N371-F384 WeakPolarHBondContact OD1-CA 3.43Å; N371-L385 HydrophobicContact CB-CD1 4.03Å; N371-L385 HydrophobicContact CB-CG 3.93Å; N371-L385 PolarHBondContact OD1-N 3.14Å
372	V	87.7	Confident	86.1	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-42.4	172.5	171.7	0	0	0	0	112.5	F368 R369 F370 N375 R376 F384 N388 F426 S428 L431	F368-V372 PolarHBondContact O-N 3.39Å; F368-V372 VanDerWaalsContact O-N 3.11Å; R369-V372 PolarHBondContact O-N 3.07Å; F370-V372 PolarHBondContact O-N 3.45Å; V372-N375 PolarHBondContact O-N 3.18Å; V372-R376 PolarHBondContact O-N 3.3Å; V372-F384 HydrophobicContact CG2-CE1 4.1Å; V372-N388 WeakPolarHBondContact CG2-OD1 3.25Å; V372-F426 HydrophobicContact CG2-CZ 3.72Å; V372-S428 WeakPolarHBondContact CG2-OG 3.23Å; V372-L431 HydrophobicContact CB-CD2 4Å; V372-L431 HydrophobicContact CG1-CB 4.37Å; V372-L431 HydrophobicContact CG1-CD2 3.96Å; V372-L431 HydrophobicContact CG1-CG 4.19Å
373	Q	86.5	Confident	86.4	Confident	35 Å²	35	42.2 Å²	42.2	16%	0.164	21%	0.212	C	C	.	.	H	α-helix	trans	-67	-46.1	178.9	-68.1	162.7	-27.2	0	0	111.7	R369 F370 N371 N375 R376 V377 L431 I435 D732	R369-Q373 PolarHBondContact O-N 3.28Å; F370-Q373 HydrophobicContact CD2-CB 4.2Å; F370-Q373 WeakPolarHBondContact O-CA 3.27Å; F370-Q373 WeakPolarHBondContact O-CB 3.39Å; F370-Q373 PolarHBondContact O-N 2.73Å; N371-Q373 VanDerWaalsContact C-N 3.34Å; N371-Q373 PolarHBondContact O-N 2.86Å; Q373-N375 PolarHBondContact O-N 3.49Å; Q373-R376 VanDerWaalsContact O-CB 3.3Å; Q373-R376 WeakPolarHBondContact O-CB 3.44Å; Q373-R376 PolarHBondContact O-N 2.83Å; Q373-R376 VanDerWaalsContact O-N 3.13Å; Q373-V377 PolarHBondContact O-N 2.76Å; Q373-L431 HydrophobicContact CG-CD2 4.22Å; Q373-I435 HydrophobicContact CG-CD1 3.87Å; Q373-D732 PolarHBondContact NE2-O 3.43Å; Q373-D732 PolarHBondContact OE1-O 2.84Å
374	L	87.3	Confident	86.5	Confident	19 Å²	19	46.9 Å²	46.9	10%	0.099	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-41.5	175.2	-81	-175.5	0	0	0	113.3	F370 N371 R376 V377 S378 F382	F370-L374 HydrophobicContact CD1-CB 4.47Å; F370-L374 HydrophobicContact CD1-CD1 3.26Å; F370-L374 HydrophobicContact CD1-CD2 4.39Å; F370-L374 HydrophobicContact CD1-CG 3.43Å; F370-L374 VanDerWaalsContact CD1-CG 3.43Å; F370-L374 HydrophobicContact CD2-CG 4.08Å; F370-L374 HydrophobicContact CE1-CB 4.42Å; F370-L374 HydrophobicContact CE1-CD1 2.88Å; F370-L374 HydrophobicContact CE1-CD2 3.58Å; F370-L374 HydrophobicContact CE1-CG 3.05Å; F370-L374 HydrophobicContact CE2-CD1 4.36Å; F370-L374 HydrophobicContact CE2-CD2 3.72Å; F370-L374 HydrophobicContact CE2-CG 3.58Å; F370-L374 HydrophobicContact CG-CD1 4.37Å; F370-L374 HydrophobicContact CG-CG 4.13Å; F370-L374 HydrophobicContact CZ-CD1 3.56Å; F370-L374 HydrophobicContact CZ-CD2 3.2Å; F370-L374 HydrophobicContact CZ-CG 3.17Å; F370-L374 PolarHBondContact O-N 2.81Å; N371-L374 PolarHBondContact O-N 3.12Å; L374-R376 PolarHBondContact O-N 3.48Å; L374-V377 WeakPolarHBondContact O-CA 3.37Å; L374-V377 WeakPolarHBondContact O-CB 3.46Å; L374-V377 PolarHBondContact O-N 3.36Å; L374-S378 PolarHBondContact O-N 2.85Å; L374-F382 HydrophobicContact CB-CB 3.62Å; L374-F382 HydrophobicContact CB-CD1 4.18Å; L374-F382 HydrophobicContact CB-CD2 3.69Å; L374-F382 HydrophobicContact CB-CE2 4.34Å; L374-F382 HydrophobicContact CB-CG 3.58Å; L374-F382 HydrophobicContact CD1-CB 4.26Å; L374-F382 HydrophobicContact CD1-CD1 3.43Å; L374-F382 VanDerWaalsContact CD1-CD1 3.43Å; L374-F382 HydrophobicContact CD1-CD2 4.21Å; L374-F382 HydrophobicContact CD1-CE1 3.6Å; L374-F382 HydrophobicContact CD1-CE2 4.39Å; L374-F382 HydrophobicContact CD1-CG 3.72Å; L374-F382 HydrophobicContact CD1-CZ 4.09Å; L374-F382 HydrophobicContact CD2-CD2 4.02Å; L374-F382 HydrophobicContact CD2-CE1 4.32Å; L374-F382 HydrophobicContact CD2-CE2 3.78Å; L374-F382 HydrophobicContact CD2-CG 4.39Å; L374-F382 HydrophobicContact CD2-CZ 3.92Å; L374-F382 HydrophobicContact CG-CD1 4.29Å; L374-F382 HydrophobicContact CG-CD2 4.2Å; L374-F382 HydrophobicContact CG-CE1 4.44Å; L374-F382 HydrophobicContact CG-CE2 4.39Å; L374-F382 HydrophobicContact CG-CG 4.12Å; L374-F382 HydrophobicContact CG-CZ 4.5Å; L374-F382 WeakPolarHBondContact O-CD2 3.48Å
375	N	89.3	Confident	86.6	Confident	12 Å²	12	47.3 Å²	47.3	6%	0.064	24%	0.235	C	C	.	.	H	α-helix	trans	-57.4	-33.6	176.7	-177	-92.4	0	0	0	110.4	N371 V372 Q373 V377 S378 K379 F382 F384	N371-N375 WeakPolarHBondContact O-CB 3.49Å; N371-N375 PolarHBondContact O-N 3.45Å; V372-N375 PolarHBondContact O-N 3.18Å; Q373-N375 PolarHBondContact O-N 3.49Å; N375-V377 VanDerWaalsContact C-N 3.32Å; N375-V377 PolarHBondContact O-N 3.46Å; N375-S378 CarbonylContact O-C 3.52Å; N375-K379 WeakPolarHBondContact O-CG 3.36Å; N375-K379 PolarHBondContact O-N 2.88Å; N375-F382 WeakPolarHBondContact CA-O 3.47Å; N375-F382 WeakPolarHBondContact CB-O 3.12Å; N375-F382 PolarHBondContact ND2-O 2.74Å; N375-F384 HydrophobicContact CB-CD1 3.99Å; N375-F384 HydrophobicContact CB-CE1 3.64Å; N375-F384 HydrophobicContact CB-CZ 4.21Å; N375-F384 VanDerWaalsContact CG-CE1 3.45Å; N375-F384 WeakPolarHBondContact OD1-CE1 3.02Å; N375-F384 WeakPolarHBondContact OD1-CZ 3.42Å
376	R	87.6	Confident	86.3	Confident	60 Å²	60	50.7 Å²	50.7	23%	0.226	25%	0.25	C	S	.	.	H	α-helix	trans	-67.6	-31.8	175	-157	67.6	-171.2	108.7	-5	113.3	V372 Q373 L374 I435 E436 I445 Q449	V372-R376 PolarHBondContact O-N 3.3Å; Q373-R376 VanDerWaalsContact O-CB 3.3Å; Q373-R376 WeakPolarHBondContact O-CB 3.44Å; Q373-R376 PolarHBondContact O-N 2.83Å; Q373-R376 VanDerWaalsContact O-N 3.13Å; L374-R376 PolarHBondContact O-N 3.48Å; R376-I435 HydrophobicContact CG-CG2 4.23Å; R376-E436 IonicContact CZ-OE1 3.53Å; R376-E436 IonicContact NE-OE1 3.78Å; R376-E436 PolarHBondContact NE-OE1 3.45Å; R376-E436 IonicContact NH2-OE1 3.11Å; R376-E436 PolarHBondContact NH2-OE1 3.3Å; R376-E436 IonicContact NH2-OE2 3.81Å; R376-I445 HydrophobicContact CB-CD1 4.48Å; R376-I445 HydrophobicContact CG-CD1 3.97Å; R376-I445 VanDerWaalsContact O-CG2 3.28Å; R376-I445 WeakPolarHBondContact O-CG2 3.47Å; R376-Q449 PolarHBondContact O-NE2 2.77Å
377	V	86.5	Confident	85.5	Confident	50 Å²	50	51.7 Å²	51.7	30%	0.303	25%	0.254	S	S	.	.	H	α-helix	trans	-71.1	-54.9	172.1	-179.6	0	0	0	0	110.3	Q373 L374 N375 F448 Q449	Q373-V377 PolarHBondContact O-N 2.76Å; L374-V377 WeakPolarHBondContact O-CA 3.37Å; L374-V377 WeakPolarHBondContact O-CB 3.46Å; L374-V377 PolarHBondContact O-N 3.36Å; N375-V377 VanDerWaalsContact C-N 3.32Å; N375-V377 PolarHBondContact O-N 3.46Å; V377-F448 HydrophobicContact CG1-CD1 3.82Å; V377-F448 HydrophobicContact CG1-CE1 3.59Å; V377-F448 HydrophobicContact CG1-CZ 4.26Å; V377-Q449 PolarHBondContact O-NE2 2.79Å; V377-Q449 VanDerWaalsContact O-NE2 3.14Å
378	S	85.6	Confident	84.2	Confident	21 Å²	21	51.6 Å²	51.6	15%	0.147	25%	0.253	C	S	.	.			trans	-148.2	112.3	178.3	178.5	0	0	0	0	112.2	L374 N375 N380 I381 F382	L374-S378 PolarHBondContact O-N 2.85Å; N375-S378 CarbonylContact O-C 3.52Å; S378-N380 VanDerWaalsContact C-N 3.29Å; S378-N380 PolarHBondContact O-N 2.98Å; S378-I381 WeakPolarHBondContact OG-CG1 3.47Å; S378-I381 PolarHBondContact OG-N 2.87Å; S378-F382 WeakPolarHBondContact O-CB 3.35Å; S378-F382 PolarHBondContact O-N 2.93Å
379	K	85.9	Confident	82.7	Confident	128 Å²	128	56.8 Å²	56.8	56%	0.557	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-30.3	179.5	-61.2	179.8	-178.5	176.5	0	113.2	N375 F382 P383	N375-K379 WeakPolarHBondContact O-CG 3.36Å; N375-K379 PolarHBondContact O-N 2.88Å; K379-F382 CarbonylContact O-C 3.5Å; K379-P383 WeakPolarHBondContact O-CA 3.27Å
380	N	82.3	Confident	81.3	Confident	151 Å²	151	55.4 Å²	55.4	81%	0.807	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-40.3	-176.3	-65	-20.5	0	0	0	111.5	S378	S378-N380 VanDerWaalsContact C-N 3.29Å; S378-N380 PolarHBondContact O-N 2.98Å
381	I	84.1	Confident	79.7	Confident	116 Å²	116	58.2 Å²	58.2	60%	0.595	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-36.7	177.8	-59.9	173.8	0	0	0	110.1	S378 P383	S378-I381 WeakPolarHBondContact OG-CG1 3.47Å; S378-I381 PolarHBondContact OG-N 2.87Å; I381-P383 VanDerWaalsContact C-CD 3.44Å; I381-P383 VanDerWaalsContact O-CD 3.29Å; I381-P383 WeakPolarHBondContact O-CD 3.35Å
382	F	88.4	Confident	77.9	Confident	42 Å²	42	66.4 Å²	66.4	18%	0.184	34%	0.343	C	S	.	.	S	Bend	trans	-122.8	71.5	-175.7	-50.5	-66.3	0	0	0	110.7	L374 N375 S378 K379 T728	L374-F382 HydrophobicContact CB-CB 3.62Å; L374-F382 HydrophobicContact CB-CD1 4.18Å; L374-F382 HydrophobicContact CB-CD2 3.69Å; L374-F382 HydrophobicContact CB-CE2 4.34Å; L374-F382 HydrophobicContact CB-CG 3.58Å; L374-F382 HydrophobicContact CD1-CB 4.26Å; L374-F382 HydrophobicContact CD1-CD1 3.43Å; L374-F382 VanDerWaalsContact CD1-CD1 3.43Å; L374-F382 HydrophobicContact CD1-CD2 4.21Å; L374-F382 HydrophobicContact CD1-CE1 3.6Å; L374-F382 HydrophobicContact CD1-CE2 4.39Å; L374-F382 HydrophobicContact CD1-CG 3.72Å; L374-F382 HydrophobicContact CD1-CZ 4.09Å; L374-F382 HydrophobicContact CD2-CD2 4.02Å; L374-F382 HydrophobicContact CD2-CE1 4.32Å; L374-F382 HydrophobicContact CD2-CE2 3.78Å; L374-F382 HydrophobicContact CD2-CG 4.39Å; L374-F382 HydrophobicContact CD2-CZ 3.92Å; L374-F382 HydrophobicContact CG-CD1 4.29Å; L374-F382 HydrophobicContact CG-CD2 4.2Å; L374-F382 HydrophobicContact CG-CE1 4.44Å; L374-F382 HydrophobicContact CG-CE2 4.39Å; L374-F382 HydrophobicContact CG-CG 4.12Å; L374-F382 HydrophobicContact CG-CZ 4.5Å; L374-F382 WeakPolarHBondContact O-CD2 3.48Å; N375-F382 WeakPolarHBondContact CA-O 3.47Å; N375-F382 WeakPolarHBondContact CB-O 3.12Å; N375-F382 PolarHBondContact ND2-O 2.74Å; S378-F382 WeakPolarHBondContact O-CB 3.35Å; S378-F382 PolarHBondContact O-N 2.93Å; K379-F382 CarbonylContact O-C 3.5Å; F382-T728 VanDerWaalsContact CE1-OG1 3.29Å; F382-T728 WeakPolarHBondContact CE1-OG1 3.35Å; F382-T728 VanDerWaalsContact CZ-OG1 3.32Å; F382-T728 WeakPolarHBondContact CZ-OG1 3.31Å
383	P	87.8	Confident	76.1	Confident	79 Å²	79	70.1 Å²	70.1	51%	0.513	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-61.2	156	173.4	28.7	-35.3	0	0	0	110.2	N371 K379 I381 L385	N371-P383 PolarHBondContact ND2-O 2.9Å; K379-P383 WeakPolarHBondContact O-CA 3.27Å; I381-P383 VanDerWaalsContact C-CD 3.44Å; I381-P383 VanDerWaalsContact O-CD 3.29Å; I381-P383 WeakPolarHBondContact O-CD 3.35Å; P383-L385 PolarHBondContact O-N 3.26Å
384	F	88.8	Confident	74.3	Confident	98 Å²	98	72.5 Å²	72.5	43%	0.43	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-60.8	138.6	175	-73.8	-49.3	0	0	0	111.2	N371 V372 N375 N388	N371-F384 VanDerWaalsContact OD1-CA 3.28Å; N371-F384 WeakPolarHBondContact OD1-CA 3.43Å; V372-F384 HydrophobicContact CG2-CE1 4.1Å; N375-F384 HydrophobicContact CB-CD1 3.99Å; N375-F384 HydrophobicContact CB-CE1 3.64Å; N375-F384 HydrophobicContact CB-CZ 4.21Å; N375-F384 VanDerWaalsContact CG-CE1 3.45Å; N375-F384 WeakPolarHBondContact OD1-CE1 3.02Å; N375-F384 WeakPolarHBondContact OD1-CZ 3.42Å; F384-N388 HydrophobicContact CB-CB 3.8Å; F384-N388 HydrophobicContact CD1-CB 4.12Å; F384-N388 VanDerWaalsContact CD1-CG 3.42Å; F384-N388 WeakPolarHBondContact CD1-ND2 3.32Å; F384-N388 WeakPolarHBondContact CE1-ND2 3.35Å; F384-N388 HydrophobicContact CG-CB 4.06Å; F384-N388 VanDerWaalsContact CG-ND2 3.35Å; F384-N388 WeakPolarHBondContact CG-ND2 3.4Å
385	L	88.3	Confident	72.6	Confident	13 Å²	13	75.8 Å²	75.8	7%	0.068	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-60.9	152.7	170.8	-59.7	-178.9	0	0	0	110.6	V367 F368 N371 P383 L387 N388 T509 L510	V367-L385 HydrophobicContact CG1-CD1 3.69Å; F368-L385 HydrophobicContact CD1-CB 4.14Å; F368-L385 HydrophobicContact CD1-CD1 4.01Å; F368-L385 HydrophobicContact CD2-CD1 4.24Å; F368-L385 HydrophobicContact CE1-CB 3.69Å; F368-L385 HydrophobicContact CE1-CD1 3.96Å; F368-L385 HydrophobicContact CE1-CG 4.46Å; F368-L385 HydrophobicContact CE2-CD1 4.23Å; F368-L385 HydrophobicContact CG-CD1 4.16Å; F368-L385 HydrophobicContact CZ-CB 4.29Å; F368-L385 HydrophobicContact CZ-CD1 4.1Å; N371-L385 HydrophobicContact CB-CD1 4.03Å; N371-L385 HydrophobicContact CB-CG 3.93Å; N371-L385 PolarHBondContact OD1-N 3.14Å; P383-L385 PolarHBondContact O-N 3.26Å; L385-L387 PolarHBondContact O-N 3.08Å; L385-N388 PolarHBondContact O-N 2.93Å; L385-T509 HydrophobicContact CD1-CG2 3.73Å; L385-T509 HydrophobicContact CD2-CG2 4.41Å; L385-T509 HydrophobicContact CG-CG2 4.49Å; L385-L510 HydrophobicContact CD2-CD2 3.56Å; L385-L510 HydrophobicContact CD2-CG 4.36Å
386	H	77	Confident	70.9	Confident	88 Å²	88	81.5 Å²	81.5	41%	0.407	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-23.5	-176	173.1	50.5	0	0	0	114.5	D512	H386-D512 WeakPolarHBondContact CE1-CB 3.48Å; H386-D512 WeakPolarHBondContact ND1-CB 3.48Å; H386-D512 WeakPolarHBondContact NE2-CB 3.48Å
387	L	70.6	Confident	69.2	Low	30 Å²	30	84.1 Å²	84.1	16%	0.157	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	39.9	178.5	-65.7	178.8	0	0	0	114.4	Y360 P362 F368 L385 T389	Y360-L387 HydrophobicContact CD1-CD1 3.12Å; Y360-L387 HydrophobicContact CD1-CD2 3.99Å; Y360-L387 HydrophobicContact CD1-CG 3.6Å; Y360-L387 HydrophobicContact CE1-CD1 3.37Å; Y360-L387 HydrophobicContact CE1-CG 3.84Å; Y360-L387 HydrophobicContact CG-CD1 3.91Å; Y360-L387 WeakPolarHBondContact O-CD1 3.03Å; P362-L387 HydrophobicContact CG-CB 4.11Å; P362-L387 HydrophobicContact CG-CD1 4.31Å; F368-L387 VanDerWaalsContact CE1-C 3.48Å; F368-L387 HydrophobicContact CE1-CB 3.69Å; F368-L387 VanDerWaalsContact CE1-O 3.25Å; F368-L387 WeakPolarHBondContact CE1-O 3.32Å; F368-L387 HydrophobicContact CZ-CB 3.95Å; L385-L387 PolarHBondContact O-N 3.08Å; L387-T389 PolarHBondContact O-N 3.12Å; L387-T389 VanDerWaalsContact O-N 3.08Å
388	N	59	Low	67.7	Low	15 Å²	15	90.4 Å²	90.4	8%	0.08	50%	0.499	C	S	.	.			trans	-63.9	-14.6	-176.5	-171.4	46.8	0	0	0	114.7	V372 F384 L385 S428	V372-N388 WeakPolarHBondContact CG2-OD1 3.25Å; F384-N388 HydrophobicContact CB-CB 3.8Å; F384-N388 HydrophobicContact CD1-CB 4.12Å; F384-N388 VanDerWaalsContact CD1-CG 3.42Å; F384-N388 WeakPolarHBondContact CD1-ND2 3.32Å; F384-N388 WeakPolarHBondContact CE1-ND2 3.35Å; F384-N388 HydrophobicContact CG-CB 4.06Å; F384-N388 VanDerWaalsContact CG-ND2 3.35Å; F384-N388 WeakPolarHBondContact CG-ND2 3.4Å; L385-N388 PolarHBondContact O-N 2.93Å; N388-S428 PolarHBondContact ND2-OG 2.86Å; N388-S428 VanDerWaalsContact ND2-OG 3.17Å
389	T	54	Low	66.8	Low	113 Å²	113	93 Å²	93	69%	0.693	51%	0.514	S	S	*	.	S	Bend	trans	-111.1	134.5	173.9	47.1	0	0	0	0	111.7	L387 A391	L387-T389 PolarHBondContact O-N 3.12Å; L387-T389 VanDerWaalsContact O-N 3.08Å; T389-A391 PolarHBondContact O-N 2.78Å
390	Y	56	Low	66.5	Low	67 Å²	67	90.2 Å²	90.2	26%	0.263	51%	0.507	S	S	.	.			trans	-81.2	113.1	168.2	-76.8	-115.2	0	0	0	107.1	P362 E392 K423 F426	P362-Y390 HydrophobicContact CB-CE2 4.34Å; P362-Y390 HydrophobicContact CG-CE1 4.46Å; P362-Y390 HydrophobicContact CG-CE2 3.91Å; Y390-E392 PolarHBondContact O-N 2.81Å; Y390-K423 PolarHBondContact OH-NZ 3.3Å; Y390-F426 HydrophobicContact CD2-CB 4.13Å; Y390-F426 AromaticContact CD2-CD1 3.49Å; Y390-F426 HydrophobicContact CD2-CD1 3.49Å; Y390-F426 VanDerWaalsContact CD2-CD1 3.49Å; Y390-F426 HydrophobicContact CD2-CE1 4.38Å; Y390-F426 HydrophobicContact CD2-CG 4.27Å; Y390-F426 WeakPolarHBondContact CD2-O 3.45Å; Y390-F426 HydrophobicContact CE2-CB 3.5Å; Y390-F426 AromaticContact CE2-CD1 3.14Å; Y390-F426 HydrophobicContact CE2-CD1 3.14Å; Y390-F426 HydrophobicContact CE2-CE1 4.07Å; Y390-F426 AromaticContact CE2-CG 3.68Å; Y390-F426 HydrophobicContact CE2-CG 3.68Å
391	A	52.9	Low	66.6	Low	69 Å²	69	85.4 Å²	85.4	57%	0.57	48%	0.481	S	S	*	.			trans	-73.1	113.1	157.4	0	0	0	0	0	107.3	K361 T389 T393	K361-A391 PolarHBondContact NZ-O 3.06Å; T389-A391 PolarHBondContact O-N 2.78Å; A391-T393 PolarHBondContact O-N 2.87Å
392	E	50.5	Low	66.6	Low	185 Å²	185	81 Å²	81	86%	0.864	46%	0.459	S	S	*	.			trans	-70	84.2	163.1	-72	-174.7	-178.7	0	0	107.9	Y390	Y390-E392 PolarHBondContact O-N 2.81Å
393	T	49.6	Very low	66.4	Low	82 Å²	82	81 Å²	81	50%	0.503	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-82.4	116.3	157.6	45.2	0	0	0	0	106.8	K361 A391	K361-T393 PolarHBondContact NZ-OG1 3.49Å; A391-T393 PolarHBondContact O-N 2.87Å
394	A	49.7	Very low	66.4	Low	85 Å²	85	77.3 Å²	77.3	70%	0.702	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-55.9	135.7	163.2	0	0	0	0	0	107.6	D396	A394-D396 PolarHBondContact O-N 2.83Å
395	P	51.1	Low	66.3	Low	88 Å²	88	74 Å²	74	57%	0.571	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-57	131.2	171.5	23.2	-30.8	0	0	0	107.9	S397	P395-S397 PolarHBondContact O-N 2.84Å
396	D	53.4	Low	66.3	Low	131 Å²	131	73.7 Å²	73.7	70%	0.701	42%	0.424	S	S	*	.			trans	-50.5	107.1	175.4	-74.1	-36.3	0	0	0	108.4	A394 E398	A394-D396 PolarHBondContact O-N 2.83Å; D396-E398 PolarHBondContact O-N 2.99Å
397	S	51.9	Low	66.9	Low	116 Å²	116	69.8 Å²	69.8	81%	0.811	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	4	-163.4	60.5	0	0	0	0	114.1	P395	P395-S397 PolarHBondContact O-N 2.84Å
398	E	54.5	Low	67.9	Low	181 Å²	181	68.9 Å²	68.9	85%	0.846	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.6	0.3	-167.2	-66	-170.7	167.7	0	0	115.1	D396	D396-E398 PolarHBondContact O-N 2.99Å
399	T	66.9	Low	69.6	Low	77 Å²	77	70.4 Å²	70.4	47%	0.472	41%	0.406	S	S	.	.			trans	-102.5	137.7	179.4	56.4	0	0	0	0	111.9	I401	T399-I401 PolarHBondContact O-N 3.37Å; T399-I401 PolarHBondContact OG1-O 3.43Å
400	T	78.8	Confident	71.5	Confident	68 Å²	68	65 Å²	65	42%	0.417	37%	0.373	S	S	.	.	S	Bend	trans	-61.3	-26.7	172.3	-55.8	0	0	0	0	111.8	T348 H350	T348-T400 WeakPolarHBondContact O-CG2 3.09Å; H350-T400 PolarHBondContact N-O 3.33Å
401	I	85.6	Confident	73.4	Confident	51 Å²	51	62.6 Å²	62.6	26%	0.262	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	109.2	177.2	-55.8	172	0	0	0	109.1	F332 L341 H350 V352 T399	F332-I401 HydrophobicContact CZ-CG2 4.37Å; L341-I401 HydrophobicContact CD2-CD1 3.61Å; L341-I401 HydrophobicContact CD2-CG1 4.33Å; H350-I401 HydrophobicContact CB-CG1 4.21Å; H350-I401 CarbonylContact O-C 3.55Å; V352-I401 HydrophobicContact CG2-CG2 3.61Å; T399-I401 PolarHBondContact O-N 3.37Å; T399-I401 PolarHBondContact OG1-O 3.43Å
402	M	84	Confident	75.5	Confident	24 Å²	24	59.4 Å²	59.4	12%	0.118	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.7	-178.5	-63.6	173.7	-72.8	0	0	111.8	K349 H350 F351 V352	K349-M402 HydrophobicContact CB-CE 3.49Å; K349-M402 VanDerWaalsContact CB-CE 3.49Å; K349-M402 HydrophobicContact CD-CE 3.83Å; K349-M402 HydrophobicContact CG-CE 3.72Å; H350-M402 PolarHBondContact O-N 3.49Å; F351-M402 HydrophobicContact CD1-CB 4.31Å; F351-M402 HydrophobicContact CD1-CE 3.67Å; F351-M402 HydrophobicContact CD2-CE 4.17Å; F351-M402 HydrophobicContact CE1-CE 3.17Å; F351-M402 HydrophobicContact CE1-SD 3.94Å; F351-M402 HydrophobicContact CE2-CE 3.72Å; F351-M402 HydrophobicContact CG-CE 4.16Å; F351-M402 HydrophobicContact CZ-CE 3.22Å; F351-M402 HydrophobicContact CZ-SD 4.33Å; V352-M402 PolarHBondContact N-O 3.31Å; V352-M402 VanDerWaalsContact N-O 3.14Å
403	S	84.4	Confident	77.6	Confident	42 Å²	42	50.9 Å²	50.9	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	150.9	158.9	-177.6	0	0	0	0	110.4	M357 P359	M357-S403 WeakPolarHBondContact O-CB 3.47Å; M357-S403 PolarHBondContact O-OG 2.7Å; P359-S403 WeakPolarHBondContact CD-OG 3.42Å
404	T	87.3	Confident	79.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.298	C	S	.	.			trans	-116.6	141.6	-179.3	57.8	0	0	0	0	112.8	V47 N50 F351 V352 L353 P359	V47-T404 HydrophobicContact CG2-CG2 4.41Å; N50-T404 PolarHBondContact ND2-O 2.76Å; F351-T404 HydrophobicContact CB-CG2 3.73Å; F351-T404 HydrophobicContact CD1-CG2 3.8Å; F351-T404 HydrophobicContact CG-CG2 4.24Å; V352-T404 PolarHBondContact O-OG1 2.69Å; L353-T404 HydrophobicContact CD1-CG2 3.6Å; L353-T404 HydrophobicContact CG-CG2 4.34Å; L353-T404 WeakPolarHBondContact CG-OG1 3.31Å; P359-T404 WeakPolarHBondContact CD-O 3.2Å
405	E	87.1	Confident	81.4	Confident	28 Å²	28	51.2 Å²	51.2	13%	0.131	29%	0.291	C	S	.	.			trans	-114.3	155.4	174	-56.5	-170.9	-179.4	0	0	109.8	P359 K361 W407 L408 I421	P359-E405 HydrophobicContact CG-CG 3.96Å; K361-E405 HydrophobicContact CD-CB 4.39Å; K361-E405 HydrophobicContact CD-CG 4.06Å; K361-E405 WeakPolarHBondContact CD-OE2 3.44Å; K361-E405 WeakPolarHBondContact CE-OE1 3.37Å; K361-E405 VanDerWaalsContact CE-OE2 3.25Å; K361-E405 WeakPolarHBondContact CE-OE2 2.95Å; K361-E405 IonicContact NZ-OE1 2.7Å; K361-E405 PolarHBondContact NZ-OE1 2.99Å; K361-E405 IonicContact NZ-OE2 3.45Å; K361-E405 PolarHBondContact NZ-OE2 3.5Å; E405-W407 PolarHBondContact O-N 3.07Å; E405-L408 WeakPolarHBondContact O-CB 3.41Å; E405-L408 PolarHBondContact O-N 2.78Å; E405-I421 HydrophobicContact CB-CD1 4.43Å
406	P	88.5	Confident	83.2	Confident	7 Å²	7	48.8 Å²	48.8	5%	0.045	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	138.5	169.5	-21.9	35	0	0	0	110	K361 H363 L408	K361-P406 HydrophobicContact CB-CG 4.4Å; H363-P406 WeakPolarHBondContact CE1-CG 3.48Å; H363-P406 WeakPolarHBondContact ND1-CG 3.49Å; P406-L408 PolarHBondContact O-N 3.23Å
407	W	88.9	Confident	85	Confident	6 Å²	6	43.3 Å²	43.3	2%	0.023	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	16.4	179.2	-39.8	104	0	0	0	115.4	V47 I48 L79 H83 H363 E405 R409 V422 K423	V47-W407 WeakPolarHBondContact O-CA 3.32Å; V47-W407 PolarHBondContact O-N 3.31Å; I48-W407 HydrophobicContact CD1-CE3 4.02Å; I48-W407 HydrophobicContact CD1-CH2 4.13Å; I48-W407 HydrophobicContact CD1-CZ3 3.38Å; I48-W407 HydrophobicContact CG2-CH2 4.12Å; I48-W407 HydrophobicContact CG2-CZ3 4.42Å; L79-W407 HydrophobicContact CB-CH2 4.12Å; L79-W407 HydrophobicContact CB-CZ2 4.34Å; L79-W407 HydrophobicContact CD2-CZ2 4.23Å; H83-W407 HydrophobicContact CB-CH2 4.06Å; H83-W407 HydrophobicContact CB-CZ3 4.02Å; H83-W407 AromaticContact CD2-CE2 3.82Å; H83-W407 AromaticContact CD2-CH2 3.15Å; H83-W407 WeakPolarHBondContact CD2-CH2 3.29Å; H83-W407 AromaticContact CD2-CZ2 3.16Å; H83-W407 WeakPolarHBondContact CD2-CZ2 3.46Å; H83-W407 AromaticContact CD2-CZ3 3.84Å; H83-W407 AromaticContact CE1-CD2 3.74Å; H83-W407 AromaticContact CE1-CE2 3.44Å; H83-W407 VanDerWaalsContact CE1-CE2 3.44Å; H83-W407 AromaticContact CE1-CZ2 3.63Å; H83-W407 AromaticContact CE1-NE1 3.76Å; H83-W407 AromaticContact CG-CH2 3.45Å; H83-W407 VanDerWaalsContact CG-CH2 3.45Å; H83-W407 AromaticContact CG-CZ2 3.8Å; H83-W407 AromaticContact CG-CZ3 3.63Å; H83-W407 AromaticContact ND1-CE3 3.97Å; H83-W407 AromaticContact ND1-CH2 3.99Å; H83-W407 AromaticContact ND1-CZ3 3.93Å; H83-W407 AromaticContact NE2-CE2 3.3Å; H83-W407 VanDerWaalsContact NE2-CE2 3.3Å; H83-W407 AromaticContact NE2-CH2 3.6Å; H83-W407 AromaticContact NE2-CZ2 3.07Å; H83-W407 WeakPolarHBondContact NE2-CZ2 3.29Å; H83-W407 AromaticContact NE2-NE1 3.7Å; H363-W407 PolarHBondContact O-NE1 2.74Å; E405-W407 PolarHBondContact O-N 3.07Å; W407-R409 PolarHBondContact O-N 3.47Å; W407-V422 PolarHBondContact O-N 2.85Å; W407-K423 HydrophobicContact CB-CB 4.08Å; W407-K423 HydrophobicContact CG-CB 4.13Å
408	L	92.2	Very high	86.8	Confident	11 Å²	11	43.2 Å²	43.2	6%	0.058	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	116	163.2	-175	152.4	0	0	0	108.7	E46 V47 F351 E405 P406 I421	E46-L408 CarbonylContact C-O 3.4Å; E46-L408 VanDerWaalsContact CA-O 3.29Å; E46-L408 WeakPolarHBondContact CA-O 3.39Å; V47-L408 HydrophobicContact CB-CB 4.45Å; V47-L408 HydrophobicContact CG2-CB 4.33Å; V47-L408 PolarHBondContact N-O 3.34Å; F351-L408 HydrophobicContact CD1-CD2 4.09Å; F351-L408 HydrophobicContact CE1-CD1 4.17Å; F351-L408 HydrophobicContact CE1-CD2 3.56Å; F351-L408 HydrophobicContact CZ-CD2 4.23Å; E405-L408 WeakPolarHBondContact O-CB 3.41Å; E405-L408 PolarHBondContact O-N 2.78Å; P406-L408 PolarHBondContact O-N 3.23Å; L408-I421 HydrophobicContact CB-CD1 3.79Å; L408-I421 HydrophobicContact CD1-CD1 4.36Å; L408-I421 HydrophobicContact CG-CD1 4.13Å
409	R	93.5	Very high	88.6	Confident	48 Å²	48	37.4 Å²	37.4	18%	0.181	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.2	172.3	-179.7	-175.7	-71.5	159.5	-2.9	109.7	Y44 F45 E46 W407 T419 E420 V422	Y44-R409 HydrophobicContact CD2-CG 3.68Å; Y44-R409 HydrophobicContact CE2-CG 4.39Å; Y44-R409 HydrophobicContact CG-CG 3.88Å; Y44-R409 PolarHBondContact OH-NH2 3.46Å; F45-R409 CarbonylContact O-C 3.53Å; F45-R409 WeakPolarHBondContact O-CA 3.48Å; E46-R409 HydrophobicContact CG-CB 3.74Å; E46-R409 HydrophobicContact CG-CG 3.92Å; E46-R409 IonicContact OE1-CZ 3.88Å; E46-R409 IonicContact OE1-NE 3.88Å; E46-R409 PolarHBondContact OE1-NE 3.17Å; E46-R409 IonicContact OE1-NH2 3.15Å; E46-R409 PolarHBondContact OE1-NH2 3.05Å; W407-R409 PolarHBondContact O-N 3.47Å; R409-T419 CarbonylContact O-C 3.51Å; R409-T419 VanDerWaalsContact O-CA 3.3Å; R409-T419 WeakPolarHBondContact O-CA 2.96Å; R409-E420 HydrophobicContact CB-CG 3.93Å; R409-E420 VanDerWaalsContact CD-OE1 3.28Å; R409-E420 WeakPolarHBondContact CD-OE1 3.43Å; R409-E420 HydrophobicContact CG-CG 4.4Å; R409-E420 IonicContact CZ-OE1 2.63Å; R409-E420 PolarHBondContact N-O 3.32Å; R409-E420 IonicContact NE-OE1 3.43Å; R409-E420 IonicContact NH1-OE1 2.83Å; R409-E420 PolarHBondContact NH1-OE1 3.32Å; R409-E420 PolarHBondContact O-N 2.77Å; R409-V422 HydrophobicContact CB-CG2 3.42Å; R409-V422 VanDerWaalsContact CB-CG2 3.42Å; R409-V422 HydrophobicContact CG-CG2 4.25Å
410	F	95.5	Very high	89.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.5	169.3	-173.9	-108.4	0	0	0	110.5	Y44 F45 A322 K349 F351 L412 G417 Q418 T419	Y44-F410 VanDerWaalsContact CA-O 3.26Å; Y44-F410 WeakPolarHBondContact CA-O 3.39Å; Y44-F410 VanDerWaalsContact CB-O 3.23Å; Y44-F410 WeakPolarHBondContact CB-O 3.43Å; F45-F410 HydrophobicContact CD1-CB 4.05Å; F45-F410 AromaticContact CD1-CD1 3.9Å; F45-F410 HydrophobicContact CD1-CD1 3.9Å; F45-F410 HydrophobicContact CD1-CG 4.42Å; F45-F410 HydrophobicContact CD2-CB 3.81Å; F45-F410 HydrophobicContact CE1-CB 3.64Å; F45-F410 AromaticContact CE1-CD1 3.21Å; F45-F410 HydrophobicContact CE1-CD1 3.21Å; F45-F410 HydrophobicContact CE1-CE1 4.08Å; F45-F410 AromaticContact CE1-CG 3.71Å; F45-F410 HydrophobicContact CE1-CG 3.71Å; F45-F410 HydrophobicContact CE2-CB 3.37Å; F45-F410 HydrophobicContact CE2-CG 4.19Å; F45-F410 HydrophobicContact CG-CB 4.14Å; F45-F410 HydrophobicContact CZ-CB 3.28Å; F45-F410 AromaticContact CZ-CD1 3.59Å; F45-F410 HydrophobicContact CZ-CD1 3.59Å; F45-F410 AromaticContact CZ-CG 3.58Å; F45-F410 HydrophobicContact CZ-CG 3.58Å; F45-F410 PolarHBondContact N-O 2.93Å; F45-F410 VanDerWaalsContact N-O 3.08Å; F45-F410 PolarHBondContact O-N 3.06Å; A322-F410 HydrophobicContact CB-CD1 4.2Å; A322-F410 HydrophobicContact CB-CE1 3.66Å; A322-F410 HydrophobicContact CB-CZ 3.95Å; K349-F410 HydrophobicContact CD-CE2 3.61Å; K349-F410 HydrophobicContact CD-CZ 4.19Å; F351-F410 HydrophobicContact CE2-CB 4.49Å; F351-F410 AromaticContact CE2-CD2 3.86Å; F351-F410 HydrophobicContact CE2-CD2 3.86Å; F351-F410 HydrophobicContact CE2-CE2 4.11Å; F351-F410 HydrophobicContact CE2-CG 4.05Å; F351-F410 HydrophobicContact CZ-CB 4.22Å; F351-F410 AromaticContact CZ-CD2 3.51Å; F351-F410 HydrophobicContact CZ-CD2 3.51Å; F351-F410 AromaticContact CZ-CE2 3.98Å; F351-F410 HydrophobicContact CZ-CE2 3.98Å; F351-F410 AromaticContact CZ-CG 3.98Å; F351-F410 HydrophobicContact CZ-CG 3.98Å; F410-L412 HydrophobicContact CD1-CD2 3.95Å; F410-L412 HydrophobicContact CD1-CG 4.45Å; F410-L412 HydrophobicContact CE1-CD2 3.88Å; F410-L412 PolarHBondContact O-N 2.95Å; F410-G417 WeakPolarHBondContact CE2-O 3.42Å; F410-Q418 WeakPolarHBondContact CA-O 3.42Å; F410-T419 HydrophobicContact CD2-CG2 3.66Å; F410-T419 HydrophobicContact CE2-CG2 4.26Å
411	A	96.1	Very high	89.9	Confident	16 Å²	16	39.1 Å²	39.1	13%	0.132	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	123.9	179.4	0	0	0	0	0	110.6	A416 G417 Q418	A411-A416 CarbonylContact O-C 3.38Å; A411-A416 WeakPolarHBondContact O-CA 3.34Å; A411-G417 PolarHBondContact O-N 3.02Å; A411-Q418 HydrophobicContact CB-CB 4.19Å; A411-Q418 PolarHBondContact N-O 2.87Å
412	L	96.4	Very high	89.7	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-35	166.2	-59.8	167.1	0	0	0	109.7	A43 L61 V235 P288 F290 F410 A416	A43-L412 HydrophobicContact CB-CB 4.12Å; A43-L412 CarbonylContact O-C 3.46Å; A43-L412 WeakPolarHBondContact O-CA 3.47Å; A43-L412 WeakPolarHBondContact O-CB 3.43Å; A43-L412 PolarHBondContact O-N 2.94Å; L61-L412 HydrophobicContact CD1-CD1 3.84Å; V235-L412 HydrophobicContact CG2-CB 4.44Å; V235-L412 HydrophobicContact CG2-CD1 3.9Å; P288-L412 HydrophobicContact CB-CB 4.18Å; P288-L412 HydrophobicContact CB-CD2 4.24Å; P288-L412 HydrophobicContact CG-CB 4Å; P288-L412 WeakPolarHBondContact CG-O 3.19Å; F290-L412 HydrophobicContact CD1-CD1 3.77Å; F290-L412 HydrophobicContact CD1-CD2 4.19Å; F290-L412 HydrophobicContact CE1-CD1 3.8Å; F410-L412 HydrophobicContact CD1-CD2 3.95Å; F410-L412 HydrophobicContact CD1-CG 4.45Å; F410-L412 HydrophobicContact CE1-CD2 3.88Å; F410-L412 PolarHBondContact O-N 2.95Å; L412-A416 WeakPolarHBondContact O-CB 3.44Å
413	R	93.9	Very high	89.1	Confident	6 Å²	6	39.5 Å²	39.5	2%	0.023	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	136.9	174.8	-167.4	-178.3	-80.1	143.2	4.5	111	P40 P41 T42 A43 K236	P40-R413 VanDerWaalsContact O-CD 3.26Å; P40-R413 WeakPolarHBondContact O-CD 3.38Å; P40-R413 PolarHBondContact O-NH1 3.42Å; P41-R413 VanDerWaalsContact O-CD 3.28Å; P41-R413 WeakPolarHBondContact O-CD 3.44Å; P41-R413 VanDerWaalsContact O-CG 3.26Å; P41-R413 WeakPolarHBondContact O-CG 3.47Å; T42-R413 CarbonylContact C-O 3.54Å; T42-R413 VanDerWaalsContact CA-O 3.3Å; T42-R413 WeakPolarHBondContact CA-O 3.42Å; T42-R413 WeakPolarHBondContact CG2-O 3.28Å; A43-R413 HydrophobicContact CB-CB 4.44Å; A43-R413 PolarHBondContact N-O 2.87Å; A43-R413 PolarHBondContact O-N 2.99Å; A43-R413 VanDerWaalsContact O-O 3.05Å; K236-R413 PolarHBondContact O-NH1 3.33Å; K236-R413 VanDerWaalsContact O-NH1 3.08Å
414	P	89.6	Confident	88.2	Confident	72 Å²	72	40.7 Å²	40.7	47%	0.468	23%	0.226	S	C	.	.	S	Bend	cis	-68.7	172.1	-12	32.4	-36	0	0	0	111.3
415	N	89.2	Confident	87	Confident	101 Å²	101	46.1 Å²	46.1	54%	0.54	26%	0.262	S	S	.	.	S	Bend	trans	58.7	55.5	173.7	-46.7	-29.5	0	0	0	114.2	G417 Q418	N415-G417 PolarHBondContact O-N 2.77Å; N415-Q418 VanDerWaalsContact CB-CD 3.46Å; N415-Q418 HydrophobicContact CB-CG 4.07Å; N415-Q418 VanDerWaalsContact CB-OE1 3.25Å; N415-Q418 PolarHBondContact ND2-OE1 3.08Å; N415-Q418 PolarHBondContact O-N 2.82Å
416	A	90.4	Very high	86.3	Confident	37 Å²	37	45.3 Å²	45.3	31%	0.306	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	128.9	180	0	0	0	0	0	112.3	Y321 A411 L412	Y321-A416 HydrophobicContact CD1-CB 3.96Å; Y321-A416 HydrophobicContact CD2-CB 4.49Å; Y321-A416 HydrophobicContact CE1-CB 3.4Å; Y321-A416 HydrophobicContact CE2-CB 4.02Å; Y321-A416 HydrophobicContact CG-CB 4.46Å; Y321-A416 VanDerWaalsContact CZ-CB 3.43Å; A411-A416 CarbonylContact O-C 3.38Å; A411-A416 WeakPolarHBondContact O-CA 3.34Å; L412-A416 WeakPolarHBondContact O-CB 3.44Å
417	G	89.6	Confident	85.7	Confident	16 Å²	16	47.4 Å²	47.4	17%	0.165	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.8	-10.5	179.1	0	0	0	0	0	115.2	K349 F410 A411 N415	K349-G417 PolarHBondContact NZ-O 2.72Å; F410-G417 WeakPolarHBondContact CE2-O 3.42Å; A411-G417 PolarHBondContact O-N 3.02Å; N415-G417 PolarHBondContact O-N 2.77Å
418	Q	91.4	Very high	85.2	Confident	114 Å²	114	48 Å²	48	53%	0.533	28%	0.278	S	S	.	.			trans	-76.5	143.2	176.7	-69.4	-175.3	-14.5	0	0	111.9	F410 A411 N415	F410-Q418 WeakPolarHBondContact CA-O 3.42Å; A411-Q418 HydrophobicContact CB-CB 4.19Å; A411-Q418 PolarHBondContact N-O 2.87Å; N415-Q418 VanDerWaalsContact CB-CD 3.46Å; N415-Q418 HydrophobicContact CB-CG 4.07Å; N415-Q418 VanDerWaalsContact CB-OE1 3.25Å; N415-Q418 PolarHBondContact ND2-OE1 3.08Å; N415-Q418 PolarHBondContact O-N 2.82Å
419	T	90.8	Very high	84.7	Confident	59 Å²	59	50.8 Å²	50.8	36%	0.362	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.6	175.9	44.7	0	0	0	0	109.5	F351 R409 F410	F351-T419 HydrophobicContact CE1-CG2 4.1Å; F351-T419 HydrophobicContact CZ-CG2 3.87Å; R409-T419 CarbonylContact O-C 3.51Å; R409-T419 VanDerWaalsContact O-CA 3.3Å; R409-T419 WeakPolarHBondContact O-CA 2.96Å; F410-T419 HydrophobicContact CD2-CG2 3.66Å; F410-T419 HydrophobicContact CE2-CG2 4.26Å
420	E	89.5	Confident	84.1	Confident	100 Å²	100	51.1 Å²	51.1	47%	0.467	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	150.6	172	66	178.2	-172.5	0	0	110.6	R409 V422	R409-E420 HydrophobicContact CB-CG 3.93Å; R409-E420 VanDerWaalsContact CD-OE1 3.28Å; R409-E420 WeakPolarHBondContact CD-OE1 3.43Å; R409-E420 HydrophobicContact CG-CG 4.4Å; R409-E420 IonicContact CZ-OE1 2.63Å; R409-E420 PolarHBondContact N-O 3.32Å; R409-E420 IonicContact NE-OE1 3.43Å; R409-E420 IonicContact NH1-OE1 2.83Å; R409-E420 PolarHBondContact NH1-OE1 3.32Å; R409-E420 PolarHBondContact O-N 2.77Å; E420-V422 HydrophobicContact CG-CG2 4.05Å
421	I	84.7	Confident	83.5	Confident	82 Å²	82	52.1 Å²	52.1	42%	0.421	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.2	167.3	-55.9	-55	0	0	0	107.4	E405 L408 K423	E405-I421 HydrophobicContact CB-CD1 4.43Å; L408-I421 HydrophobicContact CB-CD1 3.79Å; L408-I421 HydrophobicContact CD1-CD1 4.36Å; L408-I421 HydrophobicContact CG-CD1 4.13Å; I421-K423 HydrophobicContact CG2-CB 4.49Å
422	V	80.4	Confident	83	Confident	60 Å²	60	53.2 Å²	53.2	36%	0.364	32%	0.321	S	S	.	.			trans	-86.2	-19.6	-169.9	-176.8	0	0	0	0	112.7	W407 R409 E420	W407-V422 PolarHBondContact O-N 2.85Å; R409-V422 HydrophobicContact CB-CG2 3.42Å; R409-V422 VanDerWaalsContact CB-CG2 3.42Å; R409-V422 HydrophobicContact CG-CG2 4.25Å; E420-V422 HydrophobicContact CG-CG2 4.05Å
423	K	72.5	Confident	82.5	Confident	23 Å²	23	58 Å²	58	10%	0.1	35%	0.347	C	S	.	.	S	Bend	trans	-66	141.7	-174.9	-167.3	-175.5	-169.7	-177.7	0	111	P362 Y390 W407 I421	P362-K423 PolarHBondContact O-NZ 2.84Å; Y390-K423 PolarHBondContact OH-NZ 3.3Å; W407-K423 HydrophobicContact CB-CB 4.08Å; W407-K423 HydrophobicContact CG-CB 4.13Å; I421-K423 HydrophobicContact CG2-CB 4.49Å
424	P	64.5	Low	82.2	Confident	66 Å²	66	61.3 Å²	61.3	43%	0.429	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-55.3	139.3	168.4	-21.2	31.5	0	0	0	110.7	F426	P424-F426 PolarHBondContact O-N 3.46Å
425	P	63.5	Low	82	Confident	114 Å²	114	58.9 Å²	58.9	74%	0.74	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-62	130.6	170.8	26.5	-32.6	0	0	0	108.7
426	F	70.9	Confident	81.9	Confident	11 Å²	11	57.5 Å²	57.5	5%	0.048	34%	0.338	C	S	.	.			trans	-105.6	127.8	169.1	167.4	-91.1	0	0	0	108.8	E365 F368 R369 V372 Y390 P424 L431	E365-F426 HydrophobicContact CG-CB 4.13Å; F368-F426 HydrophobicContact CB-CE1 4.28Å; F368-F426 HydrophobicContact CB-CZ 4.2Å; R369-F426 HydrophobicContact CB-CD2 4.47Å; R369-F426 HydrophobicContact CB-CE2 4.07Å; R369-F426 HydrophobicContact CG-CD2 3.35Å; R369-F426 HydrophobicContact CG-CE2 3.37Å; V372-F426 HydrophobicContact CG2-CZ 3.72Å; Y390-F426 HydrophobicContact CD2-CB 4.13Å; Y390-F426 AromaticContact CD2-CD1 3.49Å; Y390-F426 HydrophobicContact CD2-CD1 3.49Å; Y390-F426 VanDerWaalsContact CD2-CD1 3.49Å; Y390-F426 HydrophobicContact CD2-CE1 4.38Å; Y390-F426 HydrophobicContact CD2-CG 4.27Å; Y390-F426 WeakPolarHBondContact CD2-O 3.45Å; Y390-F426 HydrophobicContact CE2-CB 3.5Å; Y390-F426 AromaticContact CE2-CD1 3.14Å; Y390-F426 HydrophobicContact CE2-CD1 3.14Å; Y390-F426 HydrophobicContact CE2-CE1 4.07Å; Y390-F426 AromaticContact CE2-CG 3.68Å; Y390-F426 HydrophobicContact CE2-CG 3.68Å; P424-F426 PolarHBondContact O-N 3.46Å; F426-L431 HydrophobicContact CE2-CD2 4.03Å
427	S	76.8	Confident	81.9	Confident	52 Å²	52	59.7 Å²	59.7	36%	0.364	35%	0.351	S	S	.	.			trans	-124.4	119.7	170.7	171.1	0	0	0	0	109.2	S429 A430 L431	S427-S429 PolarHBondContact O-N 3.39Å; S427-S429 PolarHBondContact OG-N 3.3Å; S427-S429 PolarHBondContact OG-OG 2.95Å; S427-A430 PolarHBondContact O-N 3.45Å; S427-A430 PolarHBondContact OG-N 3.35Å; S427-L431 PolarHBondContact O-N 3.02Å; S427-L431 VanDerWaalsContact O-N 3.14Å
428	S	77.7	Confident	82	Confident	17 Å²	17	62.9 Å²	62.9	12%	0.119	36%	0.362	C	S	.	.	H	α-helix	trans	-59.9	-34.6	174.1	-178.6	0	0	0	0	111.4	V372 N388 T432	V372-S428 WeakPolarHBondContact CG2-OG 3.23Å; N388-S428 PolarHBondContact ND2-OG 2.86Å; N388-S428 VanDerWaalsContact ND2-OG 3.17Å; S428-T432 WeakPolarHBondContact O-CB 3.36Å; S428-T432 PolarHBondContact O-N 2.75Å; S428-T432 PolarHBondContact O-OG1 3.15Å
429	S	81.3	Confident	82	Confident	71 Å²	71	60.8 Å²	60.8	50%	0.497	36%	0.36	S	S	.	.	H	α-helix	trans	-69.5	-47.6	178.4	56.9	0	0	0	0	111.2	S427 L431 T432 D433	S427-S429 PolarHBondContact O-N 3.39Å; S427-S429 PolarHBondContact OG-N 3.3Å; S427-S429 PolarHBondContact OG-OG 2.95Å; S429-L431 VanDerWaalsContact C-N 3.27Å; S429-L431 PolarHBondContact O-N 3.48Å; S429-T432 CarbonylContact O-C 3.58Å; S429-T432 WeakPolarHBondContact O-CA 3.42Å; S429-T432 WeakPolarHBondContact O-CB 3.34Å; S429-T432 PolarHBondContact O-N 3.1Å; S429-D433 PolarHBondContact O-N 3.18Å
430	A	82.4	Confident	82	Confident	55 Å²	55	63.7 Å²	63.7	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-60.3	-36.9	179.3	0	0	0	0	0	112.6	S427 L434	S427-A430 PolarHBondContact O-N 3.45Å; S427-A430 PolarHBondContact OG-N 3.35Å; A430-L434 WeakPolarHBondContact O-CB 3.05Å; A430-L434 PolarHBondContact O-N 2.66Å; A430-L434 VanDerWaalsContact O-N 3.11Å
431	L	82.4	Confident	81.9	Confident	21 Å²	21	62 Å²	62	11%	0.11	37%	0.369	C	S	.	.	H	α-helix	trans	-70.6	-37.5	175	-175.3	58.5	0	0	0	112	R369 V372 Q373 F426 S427 S429 L434 I435	R369-L431 HydrophobicContact CB-CD2 4.2Å; R369-L431 HydrophobicContact CG-CD2 4.31Å; R369-L431 WeakPolarHBondContact O-CD2 3.31Å; V372-L431 HydrophobicContact CB-CD2 4Å; V372-L431 HydrophobicContact CG1-CB 4.37Å; V372-L431 HydrophobicContact CG1-CD2 3.96Å; V372-L431 HydrophobicContact CG1-CG 4.19Å; Q373-L431 HydrophobicContact CG-CD2 4.22Å; F426-L431 HydrophobicContact CE2-CD2 4.03Å; S427-L431 PolarHBondContact O-N 3.02Å; S427-L431 VanDerWaalsContact O-N 3.14Å; S429-L431 VanDerWaalsContact C-N 3.27Å; S429-L431 PolarHBondContact O-N 3.48Å; L431-L434 HydrophobicContact CD1-CD2 4.49Å; L431-L434 PolarHBondContact O-N 2.97Å; L431-I435 HydrophobicContact CG-CD1 4.4Å; L431-I435 VanDerWaalsContact O-CG1 3.32Å; L431-I435 WeakPolarHBondContact O-CG1 3.34Å; L431-I435 PolarHBondContact O-N 3.41Å; L431-I435 VanDerWaalsContact O-N 3.14Å
432	T	84.7	Confident	82.2	Confident	38 Å²	38	60.1 Å²	60.1	23%	0.233	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-48.4	175	-55.6	0	0	0	0	110.2	S428 S429 L434 I435 E436	S428-T432 WeakPolarHBondContact O-CB 3.36Å; S428-T432 PolarHBondContact O-N 2.75Å; S428-T432 PolarHBondContact O-OG1 3.15Å; S429-T432 CarbonylContact O-C 3.58Å; S429-T432 WeakPolarHBondContact O-CA 3.42Å; S429-T432 WeakPolarHBondContact O-CB 3.34Å; S429-T432 PolarHBondContact O-N 3.1Å; T432-L434 PolarHBondContact O-N 3.35Å; T432-I435 WeakPolarHBondContact O-CB 3.27Å; T432-I435 PolarHBondContact O-N 3.43Å; T432-E436 HydrophobicContact CG2-CG 4.26Å; T432-E436 WeakPolarHBondContact O-CG 3.19Å; T432-E436 PolarHBondContact O-N 3.33Å
433	D	86.5	Confident	82.8	Confident	102 Å²	102	63.8 Å²	63.8	55%	0.545	37%	0.373	S	S	.	.	H	α-helix	trans	-58.1	-37.9	178.1	-63	-23.6	0	0	0	111.9	S429 E436 S437	S429-D433 PolarHBondContact O-N 3.18Å; D433-E436 PolarHBondContact O-N 3.09Å; D433-S437 WeakPolarHBondContact O-CB 3.41Å; D433-S437 PolarHBondContact O-N 2.92Å
434	L	86.4	Confident	83.7	Confident	76 Å²	76	68.6 Å²	68.6	40%	0.398	40%	0.395	S	S	.	.	H	α-helix	trans	-63.5	-44.1	174.8	-176.1	62.8	0	0	0	111.8	A430 L431 T432 S437	A430-L434 WeakPolarHBondContact O-CB 3.05Å; A430-L434 PolarHBondContact O-N 2.66Å; A430-L434 VanDerWaalsContact O-N 3.11Å; L431-L434 HydrophobicContact CD1-CD2 4.49Å; L431-L434 PolarHBondContact O-N 2.97Å; T432-L434 PolarHBondContact O-N 3.35Å; L434-S437 PolarHBondContact O-N 3.45Å; L434-S437 PolarHBondContact O-OG 3.03Å
435	I	85.7	Confident	85	Confident	21 Å²	21	66.5 Å²	66.5	11%	0.108	38%	0.381	C	S	.	.	H	α-helix	trans	-64.9	-43.5	176.3	-63.9	162.1	0	0	0	110.5	Q373 R376 L431 T432 S437 E438 V441 I445	Q373-I435 HydrophobicContact CG-CD1 3.87Å; R376-I435 HydrophobicContact CG-CG2 4.23Å; L431-I435 HydrophobicContact CG-CD1 4.4Å; L431-I435 VanDerWaalsContact O-CG1 3.32Å; L431-I435 WeakPolarHBondContact O-CG1 3.34Å; L431-I435 PolarHBondContact O-N 3.41Å; L431-I435 VanDerWaalsContact O-N 3.14Å; T432-I435 WeakPolarHBondContact O-CB 3.27Å; T432-I435 PolarHBondContact O-N 3.43Å; I435-S437 PolarHBondContact O-N 3.39Å; I435-E438 PolarHBondContact O-N 2.98Å; I435-E438 VanDerWaalsContact O-N 3.15Å; I435-V441 HydrophobicContact CG2-CG1 4.1Å; I435-I445 HydrophobicContact CG2-CD1 4.25Å
436	E	87.8	Confident	86.3	Confident	73 Å²	73	63.5 Å²	63.5	34%	0.341	37%	0.366	S	S	.	.	H	α-helix	trans	-64.4	-26.8	177.9	-66	-57.2	147	0	0	112.9	R376 T432 D433 E438	R376-E436 IonicContact CZ-OE1 3.53Å; R376-E436 IonicContact NE-OE1 3.78Å; R376-E436 PolarHBondContact NE-OE1 3.45Å; R376-E436 IonicContact NH2-OE1 3.11Å; R376-E436 PolarHBondContact NH2-OE1 3.3Å; R376-E436 IonicContact NH2-OE2 3.81Å; T432-E436 HydrophobicContact CG2-CG 4.26Å; T432-E436 WeakPolarHBondContact O-CG 3.19Å; T432-E436 PolarHBondContact O-N 3.33Å; D433-E436 PolarHBondContact O-N 3.09Å; E436-E438 PolarHBondContact O-N 3.38Å
437	S	91.1	Very high	87.2	Confident	82 Å²	82	70 Å²	70	57%	0.573	39%	0.391	S	S	*	.	H	α-helix	trans	-71.2	-18.5	176.5	78.2	0	0	0	0	113.6	D433 L434 I435 S439	D433-S437 WeakPolarHBondContact O-CB 3.41Å; D433-S437 PolarHBondContact O-N 2.92Å; L434-S437 PolarHBondContact O-N 3.45Å; L434-S437 PolarHBondContact O-OG 3.03Å; I435-S437 PolarHBondContact O-N 3.39Å; S437-S439 PolarHBondContact O-N 3.43Å
438	E	91.8	Very high	87.8	Confident	83 Å²	83	72.1 Å²	72.1	39%	0.388	39%	0.393	S	S	.	.			trans	-93.9	89.3	-178.5	-65.8	-68.5	174.7	0	0	111.1	I435 E436 D440 V441 V442 Q734	I435-E438 PolarHBondContact O-N 2.98Å; I435-E438 VanDerWaalsContact O-N 3.15Å; E436-E438 PolarHBondContact O-N 3.38Å; E438-D440 PolarHBondContact O-N 3.16Å; E438-V441 HydrophobicContact CB-CB 4Å; E438-V441 HydrophobicContact CB-CG2 3.86Å; E438-V441 WeakPolarHBondContact O-CB 3.42Å; E438-V441 PolarHBondContact O-N 2.93Å; E438-V442 PolarHBondContact O-N 2.99Å; E438-V442 VanDerWaalsContact O-N 3.07Å; E438-Q734 PolarHBondContact OE1-NE2 3.12Å
439	S	90.3	Very high	88.3	Confident	71 Å²	71	73.8 Å²	73.8	50%	0.497	40%	0.4	S	S	.	.	H	α-helix	trans	-55.9	-31.5	-171.1	68.3	0	0	0	0	115.5	S437 K443	S437-S439 PolarHBondContact O-N 3.43Å; S439-K443 VanDerWaalsContact O-CG 3.27Å; S439-K443 WeakPolarHBondContact O-CG 3.35Å; S439-K443 PolarHBondContact O-N 2.99Å; S439-K443 VanDerWaalsContact O-N 3.15Å
440	D	91	Very high	88.6	Confident	119 Å²	119	73 Å²	73	64%	0.636	40%	0.398	S	S	*	.	H	α-helix	trans	-73.8	-37.5	178.3	-68.9	-24.3	0	0	0	111.6	E438 K443 E444	E438-D440 PolarHBondContact O-N 3.16Å; D440-K443 PolarHBondContact O-N 3.29Å; D440-E444 PolarHBondContact O-N 3.07Å
441	V	88.3	Confident	88.7	Confident	64 Å²	64	73.9 Å²	73.9	39%	0.388	39%	0.392	S	S	.	.	H	α-helix	trans	-65.8	-44.5	175.7	177.6	0	0	0	0	110.1	I435 E438 K443 E444 I445	I435-V441 HydrophobicContact CG2-CG1 4.1Å; E438-V441 HydrophobicContact CB-CB 4Å; E438-V441 HydrophobicContact CB-CG2 3.86Å; E438-V441 WeakPolarHBondContact O-CB 3.42Å; E438-V441 PolarHBondContact O-N 2.93Å; V441-K443 VanDerWaalsContact C-N 3.34Å; V441-K443 PolarHBondContact O-N 3.43Å; V441-E444 PolarHBondContact O-N 2.91Å; V441-I445 HydrophobicContact CG1-CD1 3.74Å; V441-I445 HydrophobicContact CG1-CG1 4.36Å; V441-I445 WeakPolarHBondContact O-CB 3.38Å; V441-I445 VanDerWaalsContact O-CG1 3.29Å; V441-I445 WeakPolarHBondContact O-CG1 3.05Å; V441-I445 PolarHBondContact O-N 3.21Å
442	V	91.2	Very high	88.5	Confident	44 Å²	44	74.8 Å²	74.8	27%	0.267	40%	0.403	S	S	.	.	H	α-helix	trans	-60.7	-42.9	177.9	176.1	0	0	0	0	111.5	E438 A446	E438-V442 PolarHBondContact O-N 2.99Å; E438-V442 VanDerWaalsContact O-N 3.07Å; V442-A446 WeakPolarHBondContact O-CB 3.29Å; V442-A446 PolarHBondContact O-N 3.28Å
443	K	93	Very high	88.3	Confident	136 Å²	136	79 Å²	79	59%	0.591	42%	0.424	S	S	*	.	H	α-helix	trans	-63	-44.4	176.7	-75.4	170.3	-171.6	165.2	0	112.1	S439 D440 V441 A446 Y447	S439-K443 VanDerWaalsContact O-CG 3.27Å; S439-K443 WeakPolarHBondContact O-CG 3.35Å; S439-K443 PolarHBondContact O-N 2.99Å; S439-K443 VanDerWaalsContact O-N 3.15Å; D440-K443 PolarHBondContact O-N 3.29Å; V441-K443 VanDerWaalsContact C-N 3.34Å; V441-K443 PolarHBondContact O-N 3.43Å; K443-A446 PolarHBondContact O-N 3.3Å; K443-Y447 WeakPolarHBondContact O-CB 3.47Å; K443-Y447 PolarHBondContact O-N 3.36Å
444	E	91.4	Very high	88	Confident	124 Å²	124	80.7 Å²	80.7	58%	0.579	43%	0.426	S	S	*	.	H	α-helix	trans	-66.2	-41.6	-179.7	-166	61.9	-155.2	0	0	111.6	D440 V441 Y447 F448	D440-E444 PolarHBondContact O-N 3.07Å; V441-E444 PolarHBondContact O-N 2.91Å; E444-Y447 PolarHBondContact O-N 3.14Å; E444-F448 WeakPolarHBondContact O-CB 3.5Å; E444-F448 PolarHBondContact O-N 3.07Å
445	I	90.4	Very high	87.4	Confident	23 Å²	23	83.5 Å²	83.5	12%	0.118	44%	0.437	C	S	.	.	H	α-helix	trans	-61.6	-45.7	174.1	-70.3	172.2	0	0	0	110.6	R376 I435 V441 Y447 F448 Q449	R376-I445 HydrophobicContact CB-CD1 4.48Å; R376-I445 HydrophobicContact CG-CD1 3.97Å; R376-I445 VanDerWaalsContact O-CG2 3.28Å; R376-I445 WeakPolarHBondContact O-CG2 3.47Å; I435-I445 HydrophobicContact CG2-CD1 4.25Å; V441-I445 HydrophobicContact CG1-CD1 3.74Å; V441-I445 HydrophobicContact CG1-CG1 4.36Å; V441-I445 WeakPolarHBondContact O-CB 3.38Å; V441-I445 VanDerWaalsContact O-CG1 3.29Å; V441-I445 WeakPolarHBondContact O-CG1 3.05Å; V441-I445 PolarHBondContact O-N 3.21Å; I445-Y447 VanDerWaalsContact C-N 3.31Å; I445-Y447 PolarHBondContact O-N 2.92Å; I445-F448 PolarHBondContact O-N 2.93Å; I445-Q449 HydrophobicContact CG2-CG 4.33Å; I445-Q449 WeakPolarHBondContact O-CB 3.4Å; I445-Q449 VanDerWaalsContact O-CG 3.3Å; I445-Q449 WeakPolarHBondContact O-CG 3.28Å; I445-Q449 PolarHBondContact O-N 2.71Å
446	A	90.8	Very high	86.1	Confident	51 Å²	51	88.9 Å²	88.9	42%	0.421	47%	0.471	S	S	.	.	H	α-helix	trans	-62.9	-39.6	178.6	0	0	0	0	0	111.8	V442 K443 A450	V442-A446 WeakPolarHBondContact O-CB 3.29Å; V442-A446 PolarHBondContact O-N 3.28Å; K443-A446 PolarHBondContact O-N 3.3Å; A446-A450 WeakPolarHBondContact O-CB 3.37Å; A446-A450 PolarHBondContact O-N 3.15Å
447	Y	91.4	Very high	85	Confident	148 Å²	148	90.8 Å²	90.8	58%	0.58	49%	0.487	S	S	*	.	H	α-helix	trans	-62.7	-49.1	174.1	176.6	-104.2	0	0	0	111.6	K443 E444 I445 Q449 A450 E451	K443-Y447 WeakPolarHBondContact O-CB 3.47Å; K443-Y447 PolarHBondContact O-N 3.36Å; E444-Y447 PolarHBondContact O-N 3.14Å; I445-Y447 VanDerWaalsContact C-N 3.31Å; I445-Y447 PolarHBondContact O-N 2.92Å; Y447-Q449 PolarHBondContact O-N 2.86Å; Y447-A450 PolarHBondContact O-N 3.35Å; Y447-E451 PolarHBondContact O-N 3.41Å
448	F	87.5	Confident	83.6	Confident	95 Å²	95	91.1 Å²	91.1	42%	0.417	48%	0.482	S	S	.	.	H	α-helix	trans	-59.2	-44	176.7	174.7	-96	0	0	0	112.3	V377 E444 I445 E451 A452	V377-F448 HydrophobicContact CG1-CD1 3.82Å; V377-F448 HydrophobicContact CG1-CE1 3.59Å; V377-F448 HydrophobicContact CG1-CZ 4.26Å; E444-F448 WeakPolarHBondContact O-CB 3.5Å; E444-F448 PolarHBondContact O-N 3.07Å; I445-F448 PolarHBondContact O-N 2.93Å; F448-E451 PolarHBondContact O-N 2.75Å; F448-A452 WeakPolarHBondContact O-CB 3.35Å; F448-A452 PolarHBondContact O-N 2.83Å
449	Q	88.2	Confident	82	Confident	53 Å²	53	95.2 Å²	95.2	25%	0.248	50%	0.499	C	S	.	.	H	α-helix	trans	-64.6	-42.9	178.5	-75.9	173	-11.5	0	0	111.8	R376 V377 I445 Y447 E451 A452 D453	R376-Q449 PolarHBondContact O-NE2 2.77Å; V377-Q449 PolarHBondContact O-NE2 2.79Å; V377-Q449 VanDerWaalsContact O-NE2 3.14Å; I445-Q449 HydrophobicContact CG2-CG 4.33Å; I445-Q449 WeakPolarHBondContact O-CB 3.4Å; I445-Q449 VanDerWaalsContact O-CG 3.3Å; I445-Q449 WeakPolarHBondContact O-CG 3.28Å; I445-Q449 PolarHBondContact O-N 2.71Å; Y447-Q449 PolarHBondContact O-N 2.86Å; Q449-E451 VanDerWaalsContact C-N 3.26Å; Q449-E451 PolarHBondContact O-N 2.95Å; Q449-A452 PolarHBondContact O-N 3.07Å; Q449-D453 WeakPolarHBondContact O-CB 3.46Å; Q449-D453 VanDerWaalsContact O-CG 3.27Å; Q449-D453 PolarHBondContact O-N 3.43Å
450	A	88.4	Confident	80.5	Confident	55 Å²	55	100.1 Å²	100.1	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-33.4	175	0	0	0	0	0	112.5	A446 Y447 K454	A446-A450 WeakPolarHBondContact O-CB 3.37Å; A446-A450 PolarHBondContact O-N 3.15Å; Y447-A450 PolarHBondContact O-N 3.35Å; A450-K454 WeakPolarHBondContact O-CG 3.26Å
451	E	84.1	Confident	79.4	Confident	72 Å²	72	98 Å²	98	34%	0.336	50%	0.503	S	S	.	.	H	α-helix	trans	-71.8	-44.4	173.4	-162.6	61.7	-142.2	0	0	111.6	Y447 F448 Q449 D453 K454	Y447-E451 PolarHBondContact O-N 3.41Å; F448-E451 PolarHBondContact O-N 2.75Å; Q449-E451 VanDerWaalsContact C-N 3.26Å; Q449-E451 PolarHBondContact O-N 2.95Å; E451-D453 VanDerWaalsContact C-N 3.35Å; E451-D453 PolarHBondContact O-N 2.7Å; E451-K454 VanDerWaalsContact CD-NZ 3.31Å; E451-K454 WeakPolarHBondContact O-CB 3.38Å; E451-K454 PolarHBondContact O-N 2.83Å; E451-K454 IonicContact OE1-NZ 2.92Å; E451-K454 PolarHBondContact OE1-NZ 3.36Å; E451-K454 IonicContact OE2-NZ 2.64Å; E451-K454 PolarHBondContact OE2-NZ 3.02Å
452	A	79.4	Confident	78.8	Confident	41 Å²	41	101.2 Å²	101.2	34%	0.339	51%	0.514	S	S	.	.	H	α-helix	trans	-63.2	-40.1	179.7	0	0	0	0	0	112.1	F448 Q449 K454 H455	F448-A452 WeakPolarHBondContact O-CB 3.35Å; F448-A452 PolarHBondContact O-N 2.83Å; Q449-A452 PolarHBondContact O-N 3.07Å; A452-K454 PolarHBondContact O-N 2.9Å; A452-H455 WeakPolarHBondContact O-CB 3.3Å; A452-H455 PolarHBondContact O-N 2.98Å
453	D	79.1	Confident	78.7	Confident	126 Å²	126	101.7 Å²	101.7	67%	0.674	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.1	-179.9	-75.2	-16	0	0	0	113.1	Q449 E451 H455	Q449-D453 WeakPolarHBondContact O-CB 3.46Å; Q449-D453 VanDerWaalsContact O-CG 3.27Å; Q449-D453 PolarHBondContact O-N 3.43Å; E451-D453 VanDerWaalsContact C-N 3.35Å; E451-D453 PolarHBondContact O-N 2.7Å; D453-H455 PolarHBondContact O-N 3.07Å
454	K	80.8	Confident	78.7	Confident	137 Å²	137	96.5 Å²	96.5	60%	0.596	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.1	170.8	-65.3	170.5	-173.4	173.8	0	112.1	A450 E451 A452 V456	A450-K454 WeakPolarHBondContact O-CG 3.26Å; E451-K454 VanDerWaalsContact CD-NZ 3.31Å; E451-K454 WeakPolarHBondContact O-CB 3.38Å; E451-K454 PolarHBondContact O-N 2.83Å; E451-K454 IonicContact OE1-NZ 2.92Å; E451-K454 PolarHBondContact OE1-NZ 3.36Å; E451-K454 IonicContact OE2-NZ 2.64Å; E451-K454 PolarHBondContact OE2-NZ 3.02Å; A452-K454 PolarHBondContact O-N 2.9Å; K454-V456 PolarHBondContact O-N 2.95Å
455	H	73.6	Confident	78.7	Confident	135 Å²	135	92.6 Å²	92.6	63%	0.625	48%	0.481	S	S	*	.	S	Bend	trans	-93.1	88.5	178	-60.6	-72.4	0	0	0	109.5	A452 D453 V457	A452-H455 WeakPolarHBondContact O-CB 3.3Å; A452-H455 PolarHBondContact O-N 2.98Å; D453-H455 PolarHBondContact O-N 3.07Å; H455-V457 PolarHBondContact O-N 3.49Å; H455-V457 VanDerWaalsContact O-N 3.13Å
456	V	59.5	Low	78.9	Confident	134 Å²	134	93.9 Å²	93.9	81%	0.812	49%	0.488	S	S	*	.			trans	-64.9	112.8	174.3	-178.7	0	0	0	0	109.3	K454	K454-V456 PolarHBondContact O-N 2.95Å
457	V	63	Low	79.2	Confident	114 Å²	114	92.6 Å²	92.6	69%	0.691	47%	0.474	S	S	*	.			trans	-84.4	120.3	168.7	-176.2	0	0	0	0	108.1	H455 K459	H455-V457 PolarHBondContact O-N 3.49Å; H455-V457 VanDerWaalsContact O-N 3.13Å; V457-K459 PolarHBondContact O-N 2.99Å
458	N	62.3	Low	79.4	Confident	88 Å²	88	87.4 Å²	87.4	47%	0.471	46%	0.455	S	S	.	.			trans	-69.3	123.6	172.1	-163.8	4.5	0	0	0	108.8	E460 D461	N458-E460 PolarHBondContact O-N 3.07Å; N458-D461 PolarHBondContact O-N 3.39Å
459	K	59	Low	79.8	Confident	170 Å²	170	82.9 Å²	82.9	74%	0.739	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-64	-20.9	-176.8	-74.7	-173.3	175.2	-177.4	0	113.5	V457 D461	V457-K459 PolarHBondContact O-N 2.99Å; K459-D461 PolarHBondContact O-N 3.15Å
460	E	58.8	Low	80.1	Confident	174 Å²	174	80.4 Å²	80.4	81%	0.813	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-70.1	-14.6	176	-64.1	-176.4	168.8	0	0	112.9	N458	N458-E460 PolarHBondContact O-N 3.07Å
461	D	67	Low	80.4	Confident	75 Å²	75	77.8 Å²	77.8	40%	0.401	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-101.5	15.2	-176.7	-74.2	-47	0	0	0	114.8	N458 K459 L463 R639	N458-D461 PolarHBondContact O-N 3.39Å; K459-D461 PolarHBondContact O-N 3.15Å; D461-L463 PolarHBondContact O-N 3.34Å; D461-R639 PolarHBondContact O-NH1 3.48Å; D461-R639 VanDerWaalsContact O-NH1 3.12Å; D461-R639 IonicContact OD1-CZ 3.88Å; D461-R639 IonicContact OD1-NH2 3.28Å; D461-R639 PolarHBondContact OD1-NH2 3.4Å
462	E	77	Confident	80.8	Confident	131 Å²	131	74.4 Å²	74.4	61%	0.612	39%	0.386	S	S	*	.			trans	-59.9	-19.9	-174.6	-83.3	-177.1	-174.8	0	0	114.9	S465	E462-S465 WeakPolarHBondContact O-CB 3.16Å
463	L	87.7	Confident	81.4	Confident	54 Å²	54	72.9 Å²	72.9	28%	0.283	37%	0.374	S	S	.	.			trans	-115.2	143	-177.8	-69.1	165.3	0	0	0	111.8	D461 H488 R639	D461-L463 PolarHBondContact O-N 3.34Å; L463-H488 HydrophobicContact CD2-CB 3.92Å; L463-H488 WeakPolarHBondContact CD2-O 3.1Å; L463-R639 PolarHBondContact O-NH1 2.98Å
464	P	92.5	Very high	81.8	Confident	26 Å²	26	69.6 Å²	69.6	17%	0.169	36%	0.364	C	S	.	.	S	Bend	cis	-70.3	146.2	-1.1	30.9	-35.7	0	0	0	112.4	V487 H488 L489 T635 I641	P464-V487 HydrophobicContact CB-CG1 4.43Å; P464-H488 CarbonylContact C-O 3.54Å; P464-H488 WeakPolarHBondContact CA-O 3.46Å; P464-H488 WeakPolarHBondContact CB-O 3.14Å; P464-L489 HydrophobicContact CB-CD2 4.31Å; P464-T635 HydrophobicContact CG-CG2 4.23Å; P464-I641 HydrophobicContact CB-CD1 4.13Å; P464-I641 HydrophobicContact CG-CD1 3.69Å
465	S	93	Very high	82.1	Confident	43 Å²	43	64.5 Å²	64.5	30%	0.301	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	157	176	72.1	0	0	0	0	111.4	E462 V487 H488	E462-S465 WeakPolarHBondContact O-CB 3.16Å; S465-V487 WeakPolarHBondContact O-CA 3.18Å; S465-H488 PolarHBondContact N-O 2.98Å; S465-H488 PolarHBondContact O-N 2.96Å; S465-H488 WeakPolarHBondContact OG-CB 3.47Å; S465-H488 PolarHBondContact OG-CD2 3.08Å
466	L	94.8	Very high	82.9	Confident	49 Å²	49	59.3 Å²	59.3	26%	0.257	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.1	-177	-57.4	-177.8	0	0	0	111	F468 L485 L486 V487 L662 I664	L466-F468 HydrophobicContact CB-CE2 4.36Å; L466-F468 HydrophobicContact CD1-CE2 4.49Å; L466-L485 HydrophobicContact CB-CD1 4.22Å; L466-L485 HydrophobicContact CD2-CD1 4.35Å; L466-L486 CarbonylContact C-O 3.6Å; L466-L486 WeakPolarHBondContact CA-O 3.41Å; L466-V487 HydrophobicContact CD2-CB 4.15Å; L466-V487 HydrophobicContact CD2-CG1 3.93Å; L466-V487 HydrophobicContact CD2-CG2 3.71Å; L466-L662 HydrophobicContact CD1-CD2 3.45Å; L466-L662 VanDerWaalsContact CD1-CD2 3.45Å; L466-L662 HydrophobicContact CG-CD2 4.49Å; L466-I664 HydrophobicContact CD1-CD1 3.68Å; L466-I664 HydrophobicContact CD1-CG1 4.41Å; L466-I664 HydrophobicContact CD2-CD1 4.25Å
467	T	95.3	Very high	84.2	Confident	24 Å²	24	54.1 Å²	54.1	15%	0.147	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	110.9	170.7	-56.3	0	0	0	0	108.7	L469 L486 H488 L510 Y511	T467-L469 HydrophobicContact CG2-CD2 4.2Å; T467-L469 PolarHBondContact O-N 3.05Å; T467-L486 PolarHBondContact N-O 3.3Å; T467-L486 PolarHBondContact O-N 3.36Å; T467-H488 PolarHBondContact OG1-NE2 2.95Å; T467-L510 HydrophobicContact CG2-CD1 3.57Å; T467-Y511 PolarHBondContact OG1-OH 3.38Å
468	F	95.7	Very high	85.3	Confident	39 Å²	39	54.1 Å²	54.1	17%	0.171	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.5	173.3	-70	-90.1	0	0	0	109.1	L466 T471 L485 I664 L701	L466-F468 HydrophobicContact CB-CE2 4.36Å; L466-F468 HydrophobicContact CD1-CE2 4.49Å; F468-T471 HydrophobicContact CB-CG2 4.1Å; F468-T471 HydrophobicContact CD1-CG2 3.68Å; F468-T471 HydrophobicContact CG-CG2 4.11Å; F468-L485 HydrophobicContact CD1-CD1 4.02Å; F468-L485 HydrophobicContact CD2-CD1 4.33Å; F468-L485 HydrophobicContact CE1-CD1 3.83Å; F468-L485 HydrophobicContact CE2-CD1 4.14Å; F468-L485 HydrophobicContact CG-CD1 4.25Å; F468-L485 HydrophobicContact CZ-CD1 3.85Å; F468-I664 HydrophobicContact CE1-CG2 4.4Å; F468-I664 HydrophobicContact CZ-CG2 4.41Å; F468-L701 HydrophobicContact CE1-CD2 3.91Å; F468-L701 HydrophobicContact CE2-CD1 3.85Å; F468-L701 HydrophobicContact CE2-CD2 3.94Å; F468-L701 HydrophobicContact CZ-CD1 3.87Å; F468-L701 HydrophobicContact CZ-CD2 3.26Å; F468-L701 HydrophobicContact CZ-CG 4.23Å
469	L	96.5	Very high	86.4	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-15.6	173.8	-58.4	175.7	0	0	0	110.7	T467 N481 G484 L486 L496 T503 Q506 I507 L510	T467-L469 HydrophobicContact CG2-CD2 4.2Å; T467-L469 PolarHBondContact O-N 3.05Å; L469-N481 WeakPolarHBondContact O-CB 3.3Å; L469-G484 WeakPolarHBondContact CA-O 3.41Å; L469-G484 WeakPolarHBondContact CB-O 3.45Å; L469-G484 PolarHBondContact N-O 3.29Å; L469-L486 HydrophobicContact CD1-CB 4.27Å; L469-L496 HydrophobicContact CD1-CD1 3.92Å; L469-T503 HydrophobicContact CB-CG2 4.38Å; L469-T503 HydrophobicContact CD1-CG2 3.57Å; L469-Q506 HydrophobicContact CB-CB 4.08Å; L469-Q506 HydrophobicContact CD2-CB 4.12Å; L469-Q506 WeakPolarHBondContact O-CG 3.21Å; L469-I507 HydrophobicContact CD1-CD1 4.09Å; L469-I507 HydrophobicContact CD1-CG1 3.72Å; L469-I507 HydrophobicContact CD2-CG1 3.85Å; L469-I507 HydrophobicContact CG-CG1 4.47Å; L469-L510 HydrophobicContact CD2-CD1 3.56Å
470	G	95.3	Very high	87.9	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	148.9	165.7	0	0	0	0	0	113	N481 V482 G484 D729	G470-N481 CarbonylContact C-O 3.58Å; G470-N481 WeakPolarHBondContact CA-O 3.25Å; G470-V482 VanDerWaalsContact CA-O 3.23Å; G470-V482 WeakPolarHBondContact CA-O 3.28Å; G470-G484 PolarHBondContact N-O 3.12Å; G470-G484 VanDerWaalsContact N-O 3.07Å; G470-G484 PolarHBondContact O-N 3.46Å; G470-D729 VanDerWaalsContact CA-OD2 3.25Å; G470-D729 WeakPolarHBondContact CA-OD2 3.1Å
471	T	94.6	Very high	89.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.			trans	-131.1	4	-172.5	55.2	0	0	0	0	113.3	F468 R480 N481 H704 F705 D729	F468-T471 HydrophobicContact CB-CG2 4.1Å; F468-T471 HydrophobicContact CD1-CG2 3.68Å; F468-T471 HydrophobicContact CG-CG2 4.11Å; T471-R480 WeakPolarHBondContact OG1-CD 3.35Å; T471-N481 PolarHBondContact N-O 3.26Å; T471-N481 VanDerWaalsContact N-O 3.08Å; T471-H704 CarbonylContact O-C 3.47Å; T471-H704 VanDerWaalsContact O-CA 3.23Å; T471-H704 WeakPolarHBondContact O-CA 3.49Å; T471-H704 PolarHBondContact O-N 3.44Å; T471-F705 PolarHBondContact O-N 2.91Å; T471-D729 WeakPolarHBondContact CG2-OD1 3.48Å; T471-D729 PolarHBondContact N-OD2 3.14Å; T471-D729 PolarHBondContact OG1-N 3.23Å; T471-D729 PolarHBondContact OG1-OD1 3.38Å; T471-D729 PolarHBondContact OG1-OD2 3.37Å
472	S	92.6	Very high	90.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	139.2	177.6	-164.6	0	0	0	0	111.6	A475 N481 V482 S483	S472-A475 WeakPolarHBondContact CB-O 3.26Å; S472-A475 PolarHBondContact OG-O 3.13Å; S472-N481 WeakPolarHBondContact CA-O 3.12Å; S472-N481 WeakPolarHBondContact CB-O 3.17Å; S472-N481 PolarHBondContact N-O 2.82Å; S472-V482 WeakPolarHBondContact O-CA 3.44Å; S472-S483 PolarHBondContact O-N 2.95Å
473	S	91.6	Very high	91.8	Very high	10 Å²	10	24.8 Å²	24.8	7%	0.07	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	147.2	171.7	73.5	0	0	0	0	112.1	A475 H704 F705 S706	S473-A475 PolarHBondContact O-N 3.13Å; S473-H704 WeakPolarHBondContact CA-NE2 3.24Å; S473-H704 WeakPolarHBondContact CB-CE1 3.49Å; S473-H704 WeakPolarHBondContact CB-NE2 3.47Å; S473-F705 PolarHBondContact N-O 3.28Å; S473-F705 PolarHBondContact OG-O 3.43Å; S473-S706 VanDerWaalsContact OG-CA 3.29Å; S473-S706 WeakPolarHBondContact OG-CA 3.39Å
474	A	86.8	Confident	92.3	Very high	56 Å²	56	22.3 Å²	22.3	46%	0.463	13%	0.13	S	C	.	.	S	Bend	trans	61.4	-38	169	0	0	0	0	0	117.1	D534	A474-D534 VanDerWaalsContact CA-OD2 3.27Å; A474-D534 WeakPolarHBondContact CA-OD2 3.42Å; A474-D534 PolarHBondContact N-OD2 3.5Å
475	A	87.2	Confident	92.6	Very high	31 Å²	31	21.2 Å²	21.2	26%	0.256	12%	0.123	S	C	.	.	S	Bend	trans	-153.2	151.2	179.9	0	0	0	0	0	109.9	S472 S473 V482	S472-A475 WeakPolarHBondContact CB-O 3.26Å; S472-A475 PolarHBondContact OG-O 3.13Å; S473-A475 PolarHBondContact O-N 3.13Å; A475-V482 VanDerWaalsContact C-CG1 3.47Å
476	P	90.1	Very high	92.8	Very high	26 Å²	26	19.1 Å²	19.1	17%	0.169	11%	0.108	C	C	.	.			trans	-68.5	156.2	175.3	30.3	-34.7	0	0	0	110.8	E77 R78 V482	E77-P476 WeakPolarHBondContact OE2-CG 3.47Å; R78-P476 HydrophobicContact CB-CB 4.13Å; R78-P476 HydrophobicContact CB-CG 3.87Å; R78-P476 HydrophobicContact CG-CB 3.89Å; R78-P476 HydrophobicContact CG-CG 4.17Å; P476-V482 HydrophobicContact CB-CG1 4.45Å
477	V	87.2	Confident	93	Very high	24 Å²	24	17 Å²	17	15%	0.145	10%	0.097	C	C	.	.			trans	-114.4	176.4	164.3	-57.7	0	0	0	0	109.1	R78 T479 R480 G707	R78-V477 PolarHBondContact NE-O 3.34Å; R78-V477 PolarHBondContact NH2-O 2.95Å; V477-T479 PolarHBondContact O-N 3.04Å; V477-T479 VanDerWaalsContact O-N 3.11Å; V477-R480 HydrophobicContact CG2-CB 3.69Å; V477-R480 HydrophobicContact CG2-CG 4.02Å; V477-R480 PolarHBondContact N-O 3.07Å; V477-G707 VanDerWaalsContact CG1-CA 3.5Å
478	R	86.3	Confident	93	Very high	114 Å²	114	16.9 Å²	16.9	43%	0.43	10%	0.095	S	C	.	.	S	Bend	trans	-54.1	-36.9	-176.1	-60.6	-173.2	173.3	-175.4	-10.5	113.1	R78 E82 A366	R78-R478 VanDerWaalsContact CZ-O 3.24Å; R78-R478 PolarHBondContact NH1-O 3.4Å; R78-R478 PolarHBondContact NH2-O 3.39Å; E82-R478 HydrophobicContact CB-CB 4.5Å; E82-R478 HydrophobicContact CB-CG 4.16Å; E82-R478 HydrophobicContact CG-CB 4.35Å; E82-R478 HydrophobicContact CG-CG 4.31Å; E82-R478 PolarHBondContact O-NH2 3.34Å; A366-R478 HydrophobicContact CB-CB 3.91Å
479	T	86.4	Confident	93	Very high	8 Å²	8	16 Å²	16	5%	0.049	9%	0.092	C	C	.	.	S	Bend	trans	-108	-26.1	-171.4	54	0	0	0	0	113.3	R78 A366 V477 G730 D731	R78-T479 PolarHBondContact NH2-O 2.87Å; A366-T479 HydrophobicContact CB-CG2 3.75Å; V477-T479 PolarHBondContact O-N 3.04Å; V477-T479 VanDerWaalsContact O-N 3.11Å; T479-G730 WeakPolarHBondContact CB-O 3.24Å; T479-G730 PolarHBondContact OG1-O 2.89Å; T479-D731 HydrophobicContact CG2-CB 3.83Å
480	R	89.6	Confident	92.9	Very high	6 Å²	6	17.9 Å²	17.9	2%	0.023	10%	0.104	C	C	.	.			trans	-115.8	138.4	-178.5	-48.8	-166.6	-59.9	-85.1	-0.6	111.8	T471 V477 Y709 S710 K711 D729 G730	T471-R480 WeakPolarHBondContact OG1-CD 3.35Å; V477-R480 HydrophobicContact CG2-CB 3.69Å; V477-R480 HydrophobicContact CG2-CG 4.02Å; V477-R480 PolarHBondContact N-O 3.07Å; R480-Y709 PolarHBondContact NH1-O 3.42Å; R480-Y709 VanDerWaalsContact NH1-O 3.15Å; R480-Y709 PolarHBondContact NH2-O 2.95Å; R480-S710 PolarHBondContact NH1-O 3.21Å; R480-S710 VanDerWaalsContact NH1-O 3.1Å; R480-K711 PolarHBondContact NH1-O 2.95Å; R480-D729 WeakPolarHBondContact CA-OD2 3.24Å; R480-D729 HydrophobicContact CB-CB 4.13Å; R480-D729 VanDerWaalsContact CB-OD2 3.27Å; R480-D729 WeakPolarHBondContact CB-OD2 3.4Å; R480-D729 WeakPolarHBondContact CD-O 3.49Å; R480-D729 HydrophobicContact CG-CB 3.97Å; R480-D729 WeakPolarHBondContact CG-O 3.48Å; R480-G730 WeakPolarHBondContact CG-O 3.38Å
481	N	94.2	Very high	92.6	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.011	15%	0.145	C	C	.	.			trans	-90.3	172.2	173.6	-162.6	40.6	0	0	0	110.4	L469 G470 T471 S472 E501 Q506 D729	L469-N481 WeakPolarHBondContact O-CB 3.3Å; G470-N481 CarbonylContact C-O 3.58Å; G470-N481 WeakPolarHBondContact CA-O 3.25Å; T471-N481 PolarHBondContact N-O 3.26Å; T471-N481 VanDerWaalsContact N-O 3.08Å; S472-N481 WeakPolarHBondContact CA-O 3.12Å; S472-N481 WeakPolarHBondContact CB-O 3.17Å; S472-N481 PolarHBondContact N-O 2.82Å; N481-E501 PolarHBondContact ND2-O 3.45Å; N481-E501 PolarHBondContact OD1-O 2.66Å; N481-Q506 HydrophobicContact CB-CG 3.97Å; N481-D729 PolarHBondContact N-OD2 2.92Å
482	V	94.7	Very high	92.5	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.024	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-71.6	164	172.3	-71.2	0	0	0	0	112.8	G470 S472 A475 P476 G484 E501 D534	G470-V482 VanDerWaalsContact CA-O 3.23Å; G470-V482 WeakPolarHBondContact CA-O 3.28Å; S472-V482 WeakPolarHBondContact O-CA 3.44Å; A475-V482 VanDerWaalsContact C-CG1 3.47Å; P476-V482 HydrophobicContact CB-CG1 4.45Å; V482-G484 PolarHBondContact O-N 3.47Å; V482-E501 HydrophobicContact CG2-CB 4.36Å; V482-E501 WeakPolarHBondContact CG2-O 3.44Å; V482-D534 HydrophobicContact CB-CB 3.88Å; V482-D534 HydrophobicContact CG1-CB 3.78Å
483	S	95.9	Very high	92.7	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.021	18%	0.176	C	C	.	.	S	Bend	trans	-44.2	124.7	-171	-164.9	0	0	0	0	114.2	S472 D498 G500 Y643	S472-S483 PolarHBondContact O-N 2.95Å; S483-D498 PolarHBondContact OG-OD2 3.16Å; S483-G500 PolarHBondContact O-N 3.08Å; S483-Y643 PolarHBondContact OG-OH 3.37Å
484	G	98	Very high	93	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	128	169.2	0	0	0	0	0	110.2	L469 G470 V482	L469-G484 WeakPolarHBondContact CA-O 3.41Å; L469-G484 WeakPolarHBondContact CB-O 3.45Å; L469-G484 PolarHBondContact N-O 3.29Å; G470-G484 PolarHBondContact N-O 3.12Å; G470-G484 VanDerWaalsContact N-O 3.07Å; G470-G484 PolarHBondContact O-N 3.46Å; V482-G484 PolarHBondContact O-N 3.47Å
485	L	98.3	Very high	93.5	Very high	3 Å²	3	30 Å²	30	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	119.5	-177	168	67.6	0	0	0	110.3	L466 F468 V487 L496 C497 Y643 I664	L466-L485 HydrophobicContact CB-CD1 4.22Å; L466-L485 HydrophobicContact CD2-CD1 4.35Å; F468-L485 HydrophobicContact CD1-CD1 4.02Å; F468-L485 HydrophobicContact CD2-CD1 4.33Å; F468-L485 HydrophobicContact CE1-CD1 3.83Å; F468-L485 HydrophobicContact CE2-CD1 4.14Å; F468-L485 HydrophobicContact CG-CD1 4.25Å; F468-L485 HydrophobicContact CZ-CD1 3.85Å; L485-V487 HydrophobicContact CD2-CG2 4.24Å; L485-V487 HydrophobicContact CG-CG2 4.15Å; L485-L496 CarbonylContact O-C 3.27Å; L485-L496 WeakPolarHBondContact O-CA 3.38Å; L485-C497 HydrophobicContact CB-CB 4.19Å; L485-C497 HydrophobicContact CD2-CB 4.34Å; L485-C497 PolarHBondContact N-O 3.16Å; L485-C497 PolarHBondContact O-N 2.95Å; L485-Y643 HydrophobicContact CD2-CD2 3.89Å; L485-Y643 HydrophobicContact CD2-CE2 4.18Å; L485-I664 HydrophobicContact CD2-CD1 3.48Å; L485-I664 VanDerWaalsContact CD2-CD1 3.48Å; L485-I664 HydrophobicContact CD2-CG2 4.3Å
486	L	98.2	Very high	94.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.9	173.6	-172.9	67.5	0	0	0	109.7	L466 T467 L469 H488 L496 V519 I523	L466-L486 CarbonylContact C-O 3.6Å; L466-L486 WeakPolarHBondContact CA-O 3.41Å; T467-L486 PolarHBondContact N-O 3.3Å; T467-L486 PolarHBondContact O-N 3.36Å; L469-L486 HydrophobicContact CD1-CB 4.27Å; L486-H488 WeakPolarHBondContact CD2-CE1 3.29Å; L486-L496 HydrophobicContact CB-CD1 4.49Å; L486-L496 HydrophobicContact CD1-CD1 4.49Å; L486-V519 HydrophobicContact CD2-CG1 3.5Å; L486-I523 HydrophobicContact CD1-CD1 4.08Å; L486-I523 HydrophobicContact CD1-CG1 3.69Å
487	V	97.8	Very high	94.5	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.024	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	109.6	175.1	-175.6	0	0	0	0	107.7	P464 S465 L466 L485 L489 S494 L495 I633 I641	P464-V487 HydrophobicContact CB-CG1 4.43Å; S465-V487 WeakPolarHBondContact O-CA 3.18Å; L466-V487 HydrophobicContact CD2-CB 4.15Å; L466-V487 HydrophobicContact CD2-CG1 3.93Å; L466-V487 HydrophobicContact CD2-CG2 3.71Å; L485-V487 HydrophobicContact CD2-CG2 4.24Å; L485-V487 HydrophobicContact CG-CG2 4.15Å; V487-L489 HydrophobicContact CG1-CD2 4.17Å; V487-S494 CarbonylContact O-C 3.36Å; V487-S494 WeakPolarHBondContact O-CA 3.38Å; V487-S494 WeakPolarHBondContact O-CB 3.38Å; V487-L495 HydrophobicContact CB-CD1 3.69Å; V487-L495 HydrophobicContact CB-CG 3.9Å; V487-L495 HydrophobicContact CG2-CD1 3.63Å; V487-L495 HydrophobicContact CG2-CG 4.4Å; V487-L495 PolarHBondContact N-O 3.47Å; V487-L495 PolarHBondContact O-N 3.06Å; V487-I633 HydrophobicContact CG1-CD1 4.43Å; V487-I641 HydrophobicContact CG1-CD1 4.2Å
488	H	96.5	Very high	95.1	Very high	21 Å²	21	26.3 Å²	26.3	10%	0.097	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	114.4	176.3	-54.1	-87.6	0	0	0	108.6	L463 P464 S465 T467 L486 S494	L463-H488 HydrophobicContact CD2-CB 3.92Å; L463-H488 WeakPolarHBondContact CD2-O 3.1Å; P464-H488 CarbonylContact C-O 3.54Å; P464-H488 WeakPolarHBondContact CA-O 3.46Å; P464-H488 WeakPolarHBondContact CB-O 3.14Å; S465-H488 PolarHBondContact N-O 2.98Å; S465-H488 PolarHBondContact O-N 2.96Å; S465-H488 WeakPolarHBondContact OG-CB 3.47Å; S465-H488 PolarHBondContact OG-CD2 3.08Å; T467-H488 PolarHBondContact OG1-NE2 2.95Å; L486-H488 WeakPolarHBondContact CD2-CE1 3.29Å; H488-S494 PolarHBondContact ND1-OG 3.02Å
489	L	96.1	Very high	95.6	Very high	20 Å²	20	20.9 Å²	20.9	11%	0.105	10%	0.104	C	C	.	.	S	Bend	trans	-87.2	-42.5	176.1	-58.9	175.9	0	0	0	110.2	P464 V487 C493 L495 L612 L614 I633 T635	P464-L489 HydrophobicContact CB-CD2 4.31Å; V487-L489 HydrophobicContact CG1-CD2 4.17Å; L489-C493 WeakPolarHBondContact CB-O 3.36Å; L489-C493 PolarHBondContact N-O 3.09Å; L489-L495 HydrophobicContact CD1-CD2 4.36Å; L489-L612 HydrophobicContact CD1-CB 3.98Å; L489-L612 HydrophobicContact CD1-CD2 4.01Å; L489-L614 HydrophobicContact CD1-CD1 4.43Å; L489-L614 HydrophobicContact CD1-CD2 3.98Å; L489-L614 HydrophobicContact CD1-CG 4.25Å; L489-L614 HydrophobicContact CD2-CD2 4.16Å; L489-I633 HydrophobicContact CD2-CD1 4.13Å; L489-T635 HydrophobicContact CD2-CG2 4.35Å
490	T	92.7	Very high	96.1	Very high	41 Å²	41	20.5 Å²	20.5	25%	0.252	10%	0.102	S	C	.	.	S	Bend	trans	-134.3	177.7	170	69.5	0	0	0	0	109.5	D492 C493	T490-D492 PolarHBondContact O-N 3Å; T490-D492 PolarHBondContact OG1-N 2.88Å; T490-D492 PolarHBondContact OG1-OD1 3.35Å; T490-C493 PolarHBondContact N-O 3.17Å; T490-C493 WeakPolarHBondContact OG1-CB 3.33Å; T490-C493 PolarHBondContact OG1-N 2.85Å
491	K	89.3	Confident	96.4	Very high	201 Å²	201	21 Å²	21	87%	0.874	10%	0.104	S	C	*	.	S	Bend	trans	-61.5	-23.7	176.5	-67.2	-175.6	177.6	-179.7	0	113.7
492	D	92.9	Very high	96.5	Very high	109 Å²	109	21 Å²	21	58%	0.583	10%	0.104	S	C	*	.	S	Bend	trans	-123.9	4.4	-173.7	65.1	-35.1	0	0	0	113.3	T490 S522	T490-D492 PolarHBondContact O-N 3Å; T490-D492 PolarHBondContact OG1-N 2.88Å; T490-D492 PolarHBondContact OG1-OD1 3.35Å; D492-S522 VanDerWaalsContact C-CB 3.49Å; D492-S522 VanDerWaalsContact O-CA 3.29Å; D492-S522 WeakPolarHBondContact O-CA 3.4Å; D492-S522 WeakPolarHBondContact O-CB 3.35Å
493	C	96.8	Very high	96.6	Very high	12 Å²	12	20.8 Å²	20.8	8%	0.081	10%	0.103	C	C	.	.			trans	-135.7	116.5	178.3	-173.2	0	0	0	0	110.5	L489 T490 S522	L489-C493 WeakPolarHBondContact CB-O 3.36Å; L489-C493 PolarHBondContact N-O 3.09Å; T490-C493 PolarHBondContact N-O 3.17Å; T490-C493 WeakPolarHBondContact OG1-CB 3.33Å; T490-C493 PolarHBondContact OG1-N 2.85Å; C493-S522 CarbonylContact C-O 3.53Å; C493-S522 WeakPolarHBondContact CA-O 3.33Å
494	S	98.1	Very high	96.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.5	179	-42.8	0	0	0	0	109.9	V487 H488 S522 I523 K524	V487-S494 CarbonylContact O-C 3.36Å; V487-S494 WeakPolarHBondContact O-CA 3.38Å; V487-S494 WeakPolarHBondContact O-CB 3.38Å; H488-S494 PolarHBondContact ND1-OG 3.02Å; S494-S522 PolarHBondContact N-O 3.18Å; S494-S522 PolarHBondContact OG-OG 3.47Å; S494-I523 WeakPolarHBondContact O-CA 3.42Å; S494-K524 PolarHBondContact O-N 3.14Å
495	L	98.2	Very high	96.6	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.7	165.4	66.8	80.3	0	0	0	110.6	V487 L489 C497 F525 L631 I633	V487-L495 HydrophobicContact CB-CD1 3.69Å; V487-L495 HydrophobicContact CB-CG 3.9Å; V487-L495 HydrophobicContact CG2-CD1 3.63Å; V487-L495 HydrophobicContact CG2-CG 4.4Å; V487-L495 PolarHBondContact N-O 3.47Å; V487-L495 PolarHBondContact O-N 3.06Å; L489-L495 HydrophobicContact CD1-CD2 4.36Å; L495-C497 VanDerWaalsContact CD1-SG 3.57Å; L495-F525 CarbonylContact C-O 3.55Å; L495-F525 VanDerWaalsContact CA-O 3.26Å; L495-F525 WeakPolarHBondContact CA-O 3.48Å; L495-F525 HydrophobicContact CB-CB 3.93Å; L495-F525 HydrophobicContact CB-CD1 4.04Å; L495-F525 HydrophobicContact CB-CG 4.46Å; L495-L631 HydrophobicContact CD1-CD2 4.49Å; L495-I633 HydrophobicContact CD2-CD1 4.14Å; L495-I633 HydrophobicContact CD2-CG2 4.22Å
496	L	98.8	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.6	179.6	179.6	72.3	0	0	0	109.4	L469 L485 L486 D498 C499 T503 I523 F525 I526 F527 L542	L469-L496 HydrophobicContact CD1-CD1 3.92Å; L485-L496 CarbonylContact O-C 3.27Å; L485-L496 WeakPolarHBondContact O-CA 3.38Å; L486-L496 HydrophobicContact CB-CD1 4.49Å; L486-L496 HydrophobicContact CD1-CD1 4.49Å; L496-D498 WeakPolarHBondContact CG-O 3.21Å; L496-C499 HydrophobicContact CD2-CB 3.97Å; L496-T503 HydrophobicContact CD1-CG2 4.26Å; L496-T503 HydrophobicContact CD2-CG2 4.28Å; L496-I523 HydrophobicContact CB-CG2 4.25Å; L496-F525 PolarHBondContact N-O 2.86Å; L496-I526 HydrophobicContact CB-CG1 4.25Å; L496-I526 HydrophobicContact CD2-CG1 4.41Å; L496-I526 HydrophobicContact CD2-CG2 4.41Å; L496-I526 CarbonylContact O-C 3.58Å; L496-I526 WeakPolarHBondContact O-CA 3.39Å; L496-F527 PolarHBondContact O-N 2.81Å; L496-L542 HydrophobicContact CD2-CD1 4.41Å; L496-L542 HydrophobicContact CD2-CD2 3.4Å
497	C	98.7	Very high	96.3	Very high	2 Å²	2	22 Å²	22	1%	0.014	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.2	170.8	-61.5	0	0	0	0	109.2	L485 L495 Y643	L485-C497 HydrophobicContact CB-CB 4.19Å; L485-C497 HydrophobicContact CD2-CB 4.34Å; L485-C497 PolarHBondContact N-O 3.16Å; L485-C497 PolarHBondContact O-N 2.95Å; L495-C497 VanDerWaalsContact CD1-SG 3.57Å; C497-Y643 HydrophobicContact CB-CD1 3.82Å; C497-Y643 HydrophobicContact CB-CD2 4.34Å; C497-Y643 HydrophobicContact CB-CE1 3.83Å; C497-Y643 HydrophobicContact CB-CE2 4.36Å; C497-Y643 HydrophobicContact CB-CG 4.08Å
498	D	98.5	Very high	96.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.4	151.7	-170.1	-65.2	-28.4	0	0	0	114.8	S483 L496 F527 S529 H535 Y643	S483-D498 PolarHBondContact OG-OD2 3.16Å; L496-D498 WeakPolarHBondContact CG-O 3.21Å; D498-F527 WeakPolarHBondContact CA-O 3.43Å; D498-F527 PolarHBondContact N-O 2.73Å; D498-S529 WeakPolarHBondContact OD1-CB 3.42Å; D498-S529 PolarHBondContact OD1-N 3.39Å; D498-S529 PolarHBondContact OD1-OG 2.91Å; D498-S529 PolarHBondContact OD2-OG 3.45Å; D498-H535 HydrophobicContact CB-CB 4.15Å; D498-H535 VanDerWaalsContact CG-ND1 3.32Å; D498-H535 IonicContact OD1-ND1 2.68Å; D498-H535 IonicContact OD2-CE1 2.7Å; D498-H535 IonicContact OD2-CG 3.36Å; D498-H535 IonicContact OD2-ND1 3.72Å; D498-H535 PolarHBondContact OD2-ND1 2.84Å; D498-Y643 PolarHBondContact OD2-OH 2.85Å
499	C	98.2	Very high	96	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	65.2	-177.1	-165.8	0	0	0	0	109.8	L496 I528 H535 F536 F537 G538 L539	L496-C499 HydrophobicContact CD2-CB 3.97Å; C499-I528 HydrophobicContact CB-CD1 4.06Å; C499-H535 CarbonylContact C-O 3.46Å; C499-H535 PolarHBondContact N-O 3.5Å; C499-F536 CarbonylContact O-C 3.59Å; C499-F536 WeakPolarHBondContact O-CA 3.4Å; C499-F536 PolarHBondContact O-N 2.81Å; C499-F537 PolarHBondContact O-N 3.03Å; C499-G538 WeakPolarHBondContact O-CA 3.48Å; C499-G538 PolarHBondContact O-N 2.84Å; C499-G538 VanDerWaalsContact SG-C 3.5Å; C499-L539 HydrophobicContact CB-CB 4.36Å; C499-L539 HydrophobicContact CB-CD1 4.48Å
500	G	96.5	Very high	95.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.			trans	-60.2	163.9	172.9	0	0	0	0	0	113	S483 S502 T503 D534 G538	S483-G500 PolarHBondContact O-N 3.08Å; G500-S502 PolarHBondContact O-N 2.79Å; G500-T503 PolarHBondContact N-OG1 2.81Å; G500-T503 WeakPolarHBondContact O-CB 3.34Å; G500-T503 PolarHBondContact O-N 3.02Å; G500-T503 VanDerWaalsContact O-N 3.16Å; G500-T503 PolarHBondContact O-OG1 3.2Å; G500-D534 WeakPolarHBondContact CA-O 3.41Å; G500-G538 WeakPolarHBondContact O-CA 3.4Å
501	E	95.4	Very high	95.7	Very high	16 Å²	16	23 Å²	23	8%	0.075	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	140.4	177.5	-170.9	-179.5	127.3	0	0	111.2	E74 G75 G108 N481 V482 T503 F537	E74-E501 HydrophobicContact CB-CG 3.98Å; E74-E501 HydrophobicContact CG-CG 3.91Å; G75-E501 PolarHBondContact N-OE1 2.76Å; G108-E501 VanDerWaalsContact CA-OE2 3.31Å; G108-E501 WeakPolarHBondContact CA-OE2 3.49Å; N481-E501 PolarHBondContact ND2-O 3.45Å; N481-E501 PolarHBondContact OD1-O 2.66Å; V482-E501 HydrophobicContact CG2-CB 4.36Å; V482-E501 WeakPolarHBondContact CG2-O 3.44Å; E501-T503 VanDerWaalsContact C-N 3.26Å; E501-T503 PolarHBondContact O-N 2.92Å; E501-F537 HydrophobicContact CB-CB 4.2Å
502	S	96.2	Very high	95.8	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.014	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	8.5	-180	-48.2	0	0	0	0	116.1	E74 G75 G500 F504 Q505 Q506	E74-S502 WeakPolarHBondContact OE2-CA 3.5Å; E74-S502 PolarHBondContact OE2-N 3.33Å; G75-S502 WeakPolarHBondContact CA-OG 3.19Å; G75-S502 PolarHBondContact N-OG 3.09Å; G75-S502 VanDerWaalsContact N-OG 3.09Å; G500-S502 PolarHBondContact O-N 2.79Å; S502-F504 VanDerWaalsContact C-N 3.27Å; S502-F504 PolarHBondContact O-N 3.16Å; S502-Q505 WeakPolarHBondContact O-CA 3.39Å; S502-Q505 WeakPolarHBondContact O-CB 3.29Å; S502-Q505 PolarHBondContact O-N 3.03Å; S502-Q506 WeakPolarHBondContact O-CG 3.5Å; S502-Q506 PolarHBondContact O-N 3Å
503	T	98	Very high	95.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-50.8	-45.3	174.9	-66.6	0	0	0	0	112.2	L469 L496 G500 E501 Q505 Q506 I507 L542	L469-T503 HydrophobicContact CB-CG2 4.38Å; L469-T503 HydrophobicContact CD1-CG2 3.57Å; L496-T503 HydrophobicContact CD1-CG2 4.26Å; L496-T503 HydrophobicContact CD2-CG2 4.28Å; G500-T503 PolarHBondContact N-OG1 2.81Å; G500-T503 WeakPolarHBondContact O-CB 3.34Å; G500-T503 PolarHBondContact O-N 3.02Å; G500-T503 VanDerWaalsContact O-N 3.16Å; G500-T503 PolarHBondContact O-OG1 3.2Å; E501-T503 VanDerWaalsContact C-N 3.26Å; E501-T503 PolarHBondContact O-N 2.92Å; T503-Q505 VanDerWaalsContact C-N 3.33Å; T503-Q505 PolarHBondContact O-N 2.71Å; T503-Q506 PolarHBondContact O-N 3.39Å; T503-I507 PolarHBondContact O-N 3.45Å; T503-I507 VanDerWaalsContact O-N 3.13Å; T503-L542 HydrophobicContact CG2-CD1 4.3Å
504	F	97.6	Very high	95.5	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.031	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-41.4	175	167.3	-118.5	0	0	0	112.4	F53 S502 Q506 I507 C508 L520 T541 Q545	F53-F504 HydrophobicContact CE2-CZ 4.39Å; F53-F504 HydrophobicContact CZ-CE2 4.45Å; F53-F504 HydrophobicContact CZ-CZ 4.28Å; S502-F504 VanDerWaalsContact C-N 3.27Å; S502-F504 PolarHBondContact O-N 3.16Å; F504-Q506 PolarHBondContact O-N 2.81Å; F504-I507 WeakPolarHBondContact O-CB 3.5Å; F504-I507 PolarHBondContact O-N 2.65Å; F504-C508 WeakPolarHBondContact CE2-SG 3.43Å; F504-C508 VanDerWaalsContact CZ-SG 3.52Å; F504-C508 PolarHBondContact O-N 3.31Å; F504-C508 PolarHBondContact O-SG 3.22Å; F504-C508 VanDerWaalsContact O-SG 3.41Å; F504-L520 HydrophobicContact CD2-CD1 4.05Å; F504-L520 HydrophobicContact CD2-CD2 4.3Å; F504-L520 HydrophobicContact CE2-CD1 3.76Å; F504-T541 HydrophobicContact CB-CG2 4.15Å; F504-T541 HydrophobicContact CD1-CG2 3.92Å; F504-T541 HydrophobicContact CG-CG2 4.37Å; F504-Q545 HydrophobicContact CD1-CB 4.35Å; F504-Q545 HydrophobicContact CD1-CG 3.69Å; F504-Q545 HydrophobicContact CD2-CB 3.94Å; F504-Q545 HydrophobicContact CD2-CG 4.19Å; F504-Q545 HydrophobicContact CE1-CB 4.23Å; F504-Q545 HydrophobicContact CE1-CG 3.5Å; F504-Q545 HydrophobicContact CE2-CB 3.85Å; F504-Q545 HydrophobicContact CE2-CG 4.06Å; F504-Q545 HydrophobicContact CG-CB 4.19Å; F504-Q545 HydrophobicContact CG-CG 4.01Å; F504-Q545 HydrophobicContact CZ-CB 3.98Å; F504-Q545 HydrophobicContact CZ-CG 3.7Å
505	Q	95.3	Very high	95.3	Very high	8 Å²	8	22.6 Å²	22.6	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-66.8	-29.8	179.6	-44.8	-171.8	-13.9	0	0	112.1	G54 E74 S502 T503 C508 T509	G54-Q505 VanDerWaalsContact O-CG 3.29Å; G54-Q505 WeakPolarHBondContact O-CG 3.41Å; E74-Q505 VanDerWaalsContact C-NE2 3.32Å; E74-Q505 PolarHBondContact O-NE2 2.92Å; S502-Q505 WeakPolarHBondContact O-CA 3.39Å; S502-Q505 WeakPolarHBondContact O-CB 3.29Å; S502-Q505 PolarHBondContact O-N 3.03Å; T503-Q505 VanDerWaalsContact C-N 3.33Å; T503-Q505 PolarHBondContact O-N 2.71Å; Q505-C508 PolarHBondContact O-N 2.71Å; Q505-T509 WeakPolarHBondContact O-CB 3.46Å; Q505-T509 PolarHBondContact O-N 3.23Å; Q505-T509 PolarHBondContact O-OG1 2.85Å
506	Q	95.3	Very high	95.2	Very high	18 Å²	18	22.6 Å²	22.6	8%	0.084	12%	0.116	C	C	.	.	H	α-helix	trans	-70.4	-39.4	174.6	-63.5	-65.9	-29	0	0	110.8	L469 N481 S502 T503 F504 C508 T509 L510	L469-Q506 HydrophobicContact CB-CB 4.08Å; L469-Q506 HydrophobicContact CD2-CB 4.12Å; L469-Q506 WeakPolarHBondContact O-CG 3.21Å; N481-Q506 HydrophobicContact CB-CG 3.97Å; S502-Q506 WeakPolarHBondContact O-CG 3.5Å; S502-Q506 PolarHBondContact O-N 3Å; T503-Q506 PolarHBondContact O-N 3.39Å; F504-Q506 PolarHBondContact O-N 2.81Å; Q506-C508 VanDerWaalsContact C-N 3.33Å; Q506-C508 PolarHBondContact O-N 3.43Å; Q506-T509 WeakPolarHBondContact O-CB 3.21Å; Q506-T509 PolarHBondContact O-N 2.87Å; Q506-L510 WeakPolarHBondContact O-CG 3.46Å; Q506-L510 PolarHBondContact O-N 3.04Å
507	I	96.3	Very high	95.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-56.5	-49	169	-62.9	171.4	0	0	0	109.8	L469 T503 F504 T509 L510 Y511 A516 V519 L520 I523 L542	L469-I507 HydrophobicContact CD1-CD1 4.09Å; L469-I507 HydrophobicContact CD1-CG1 3.72Å; L469-I507 HydrophobicContact CD2-CG1 3.85Å; L469-I507 HydrophobicContact CG-CG1 4.47Å; T503-I507 PolarHBondContact O-N 3.45Å; T503-I507 VanDerWaalsContact O-N 3.13Å; F504-I507 WeakPolarHBondContact O-CB 3.5Å; F504-I507 PolarHBondContact O-N 2.65Å; I507-T509 PolarHBondContact O-N 3.42Å; I507-L510 PolarHBondContact O-N 3.19Å; I507-Y511 HydrophobicContact CG2-CD2 3.84Å; I507-Y511 WeakPolarHBondContact O-CB 3.44Å; I507-Y511 VanDerWaalsContact O-CD2 3.3Å; I507-Y511 WeakPolarHBondContact O-CD2 3.25Å; I507-Y511 PolarHBondContact O-N 3.26Å; I507-A516 HydrophobicContact CG2-CB 3.92Å; I507-V519 HydrophobicContact CD1-CG1 4.33Å; I507-V519 HydrophobicContact CG2-CB 4.25Å; I507-V519 HydrophobicContact CG2-CG1 3.99Å; I507-L520 HydrophobicContact CD1-CD2 4.23Å; I507-I523 HydrophobicContact CD1-CD1 4.41Å; I507-L542 HydrophobicContact CD1-CD1 4.03Å
508	C	94.2	Very high	94.9	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	14%	0.136	C	C	.	.	H	α-helix	trans	-66.6	-20.6	177.1	-60.7	0	0	0	0	114	F53 Y360 F504 Q505 Q506 Y511	F53-C508 HydrophobicContact CE1-CB 4.41Å; F53-C508 VanDerWaalsContact CE1-SG 3.51Å; Y360-C508 PolarHBondContact OH-O 3.09Å; F504-C508 WeakPolarHBondContact CE2-SG 3.43Å; F504-C508 VanDerWaalsContact CZ-SG 3.52Å; F504-C508 PolarHBondContact O-N 3.31Å; F504-C508 PolarHBondContact O-SG 3.22Å; F504-C508 VanDerWaalsContact O-SG 3.41Å; Q505-C508 PolarHBondContact O-N 2.71Å; Q506-C508 VanDerWaalsContact C-N 3.33Å; Q506-C508 PolarHBondContact O-N 3.43Å; C508-Y511 CarbonylContact C-O 3.58Å; C508-Y511 VanDerWaalsContact O-O 3.09Å
509	T	92.1	Very high	94.9	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-77.9	-37.4	176.3	-58.6	0	0	0	0	110.7	R55 F368 L385 Q505 Q506 I507	R55-T509 PolarHBondContact NH2-OG1 3.14Å; F368-T509 HydrophobicContact CE2-CG2 4.26Å; F368-T509 HydrophobicContact CZ-CG2 4.25Å; L385-T509 HydrophobicContact CD1-CG2 3.73Å; L385-T509 HydrophobicContact CD2-CG2 4.41Å; L385-T509 HydrophobicContact CG-CG2 4.49Å; Q505-T509 WeakPolarHBondContact O-CB 3.46Å; Q505-T509 PolarHBondContact O-N 3.23Å; Q505-T509 PolarHBondContact O-OG1 2.85Å; Q506-T509 WeakPolarHBondContact O-CB 3.21Å; Q506-T509 PolarHBondContact O-N 2.87Å; I507-T509 PolarHBondContact O-N 3.42Å
510	L	91.9	Very high	94.9	Very high	54 Å²	54	25.8 Å²	25.8	28%	0.283	14%	0.14	S	C	.	.	H	α-helix	trans	-79.8	-38.8	179.5	-70.6	163.8	0	0	0	112.8	L385 T467 L469 Q506 I507	L385-L510 HydrophobicContact CD2-CD2 3.56Å; L385-L510 HydrophobicContact CD2-CG 4.36Å; T467-L510 HydrophobicContact CG2-CD1 3.57Å; L469-L510 HydrophobicContact CD2-CD1 3.56Å; Q506-L510 WeakPolarHBondContact O-CG 3.46Å; Q506-L510 PolarHBondContact O-N 3.04Å; I507-L510 PolarHBondContact O-N 3.19Å
511	Y	92.1	Very high	94.9	Very high	48 Å²	48	28.2 Å²	28.2	19%	0.188	15%	0.149	C	C	.	.	S	Bend	trans	-117.9	146.2	-169.7	-59.6	-70.8	0	0	0	111.6	T467 I507 C508 Q515 V519	T467-Y511 PolarHBondContact OG1-OH 3.38Å; I507-Y511 HydrophobicContact CG2-CD2 3.84Å; I507-Y511 WeakPolarHBondContact O-CB 3.44Å; I507-Y511 VanDerWaalsContact O-CD2 3.3Å; I507-Y511 WeakPolarHBondContact O-CD2 3.25Å; I507-Y511 PolarHBondContact O-N 3.26Å; C508-Y511 CarbonylContact C-O 3.58Å; C508-Y511 VanDerWaalsContact O-O 3.09Å; Y511-Q515 HydrophobicContact CD1-CB 4.2Å; Y511-Q515 HydrophobicContact CG-CB 4.34Å; Y511-V519 HydrophobicContact CD1-CG2 4.5Å; Y511-V519 HydrophobicContact CD2-CG2 4.07Å; Y511-V519 HydrophobicContact CE1-CG2 4.42Å; Y511-V519 HydrophobicContact CE2-CG2 3.99Å; Y511-V519 HydrophobicContact CG-CG2 4.33Å
512	D	91.2	Very high	95	Very high	45 Å²	45	27.8 Å²	27.8	24%	0.241	15%	0.147	C	C	.	.			trans	-63	169	167.9	75.9	44.4	0	0	0	111.4	H386 S514 Q515 A516	H386-D512 WeakPolarHBondContact CE1-CB 3.48Å; H386-D512 WeakPolarHBondContact ND1-CB 3.48Å; H386-D512 WeakPolarHBondContact NE2-CB 3.48Å; D512-S514 VanDerWaalsContact C-N 3.32Å; D512-S514 PolarHBondContact O-N 2.84Å; D512-S514 WeakPolarHBondContact OD1-CA 3.45Å; D512-S514 WeakPolarHBondContact OD1-CB 3.22Å; D512-S514 PolarHBondContact OD1-N 3.01Å; D512-Q515 PolarHBondContact O-N 3.47Å; D512-Q515 WeakPolarHBondContact OD1-CG 3.45Å; D512-Q515 PolarHBondContact OD1-N 2.97Å; D512-Q515 VanDerWaalsContact OD2-CD 3.23Å; D512-Q515 WeakPolarHBondContact OD2-CG 3.47Å; D512-Q515 PolarHBondContact OD2-OE1 3.09Å; D512-A516 WeakPolarHBondContact O-CB 3.35Å; D512-A516 PolarHBondContact O-N 2.79Å
513	K	90.9	Very high	95.1	Very high	83 Å²	83	27.7 Å²	27.7	36%	0.361	15%	0.147	S	C	.	.	H	α-helix	trans	-55.9	-43.2	-177.9	-178.5	175.1	-176.2	-177.2	0	113.5	F53 E355 L517	F53-K513 HydrophobicContact CB-CD 4.37Å; F53-K513 HydrophobicContact CD1-CB 3.84Å; F53-K513 HydrophobicContact CD1-CD 4.32Å; F53-K513 HydrophobicContact CD1-CG 3.78Å; F53-K513 HydrophobicContact CD2-CD 4.11Å; F53-K513 HydrophobicContact CD2-CG 4.01Å; F53-K513 HydrophobicContact CE1-CB 3.91Å; F53-K513 HydrophobicContact CE1-CG 3.76Å; F53-K513 HydrophobicContact CE2-CG 3.99Å; F53-K513 HydrophobicContact CG-CB 4.36Å; F53-K513 HydrophobicContact CG-CD 3.99Å; F53-K513 HydrophobicContact CG-CG 3.9Å; F53-K513 HydrophobicContact CZ-CB 4.49Å; F53-K513 HydrophobicContact CZ-CG 3.87Å; E355-K513 VanDerWaalsContact OE1-CE 3.26Å; E355-K513 WeakPolarHBondContact OE1-CE 3.4Å; E355-K513 IonicContact OE1-NZ 3.34Å; E355-K513 PolarHBondContact OE1-NZ 2.93Å; K513-L517 HydrophobicContact CG-CD1 4.3Å; K513-L517 WeakPolarHBondContact O-CG 3.4Å; K513-L517 PolarHBondContact O-N 2.96Å; K513-L517 VanDerWaalsContact O-N 3.14Å
514	S	92.5	Very high	95.1	Very high	90 Å²	90	29.4 Å²	29.4	63%	0.629	15%	0.154	S	C	*	.	H	α-helix	trans	-67.3	-45.7	-178.8	-173	0	0	0	0	111	D512 L517 A518	D512-S514 VanDerWaalsContact C-N 3.32Å; D512-S514 PolarHBondContact O-N 2.84Å; D512-S514 WeakPolarHBondContact OD1-CA 3.45Å; D512-S514 WeakPolarHBondContact OD1-CB 3.22Å; D512-S514 PolarHBondContact OD1-N 3.01Å; S514-L517 PolarHBondContact O-N 2.96Å; S514-A518 PolarHBondContact O-N 3.49Å
515	Q	94.2	Very high	95.2	Very high	95 Å²	95	29.1 Å²	29.1	44%	0.444	15%	0.153	S	C	.	.	H	α-helix	trans	-64.7	-45.2	177.5	-69.2	175	-24.5	0	0	111.9	Y511 D512 L517 A518 V519	Y511-Q515 HydrophobicContact CD1-CB 4.2Å; Y511-Q515 HydrophobicContact CG-CB 4.34Å; D512-Q515 PolarHBondContact O-N 3.47Å; D512-Q515 WeakPolarHBondContact OD1-CG 3.45Å; D512-Q515 PolarHBondContact OD1-N 2.97Å; D512-Q515 VanDerWaalsContact OD2-CD 3.23Å; D512-Q515 WeakPolarHBondContact OD2-CG 3.47Å; D512-Q515 PolarHBondContact OD2-OE1 3.09Å; Q515-L517 VanDerWaalsContact C-N 3.31Å; Q515-L517 PolarHBondContact O-N 3.16Å; Q515-A518 CarbonylContact O-C 3.19Å; Q515-A518 WeakPolarHBondContact O-CA 3.2Å; Q515-A518 WeakPolarHBondContact O-CB 3.4Å; Q515-A518 PolarHBondContact O-N 2.89Å; Q515-V519 WeakPolarHBondContact O-CG2 3.27Å; Q515-V519 PolarHBondContact O-N 2.9Å
516	A	95.3	Very high	95.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.4	-42.4	177.4	0	0	0	0	0	111.4	F53 I507 D512 A518 V519 L520	F53-A516 HydrophobicContact CE1-CB 3.99Å; F53-A516 HydrophobicContact CZ-CB 4.33Å; I507-A516 HydrophobicContact CG2-CB 3.92Å; D512-A516 WeakPolarHBondContact O-CB 3.35Å; D512-A516 PolarHBondContact O-N 2.79Å; A516-A518 VanDerWaalsContact C-N 3.34Å; A516-V519 PolarHBondContact O-N 3.11Å; A516-L520 WeakPolarHBondContact O-CG 3.47Å; A516-L520 PolarHBondContact O-N 3.5Å
517	L	95.8	Very high	95.5	Very high	13 Å²	13	27.9 Å²	27.9	7%	0.068	15%	0.147	C	C	.	.	H	α-helix	trans	-66.4	-35.9	174.6	-65.1	173	0	0	0	111.8	F53 K513 S514 Q515 L520 R521 A549	F53-L517 HydrophobicContact CE2-CD2 4.19Å; F53-L517 HydrophobicContact CZ-CD2 4.05Å; F53-L517 HydrophobicContact CZ-CG 4.18Å; K513-L517 HydrophobicContact CG-CD1 4.3Å; K513-L517 WeakPolarHBondContact O-CG 3.4Å; K513-L517 PolarHBondContact O-N 2.96Å; K513-L517 VanDerWaalsContact O-N 3.14Å; S514-L517 PolarHBondContact O-N 2.96Å; Q515-L517 VanDerWaalsContact C-N 3.31Å; Q515-L517 PolarHBondContact O-N 3.16Å; L517-L520 HydrophobicContact CD2-CD1 4.42Å; L517-R521 WeakPolarHBondContact O-CG 3.38Å; L517-R521 PolarHBondContact O-N 2.97Å; L517-R521 PolarHBondContact O-NH1 2.94Å; L517-A549 HydrophobicContact CB-CB 4.23Å; L517-A549 HydrophobicContact CD2-CB 3.65Å
518	A	96	Very high	95.6	Very high	43 Å²	43	27.9 Å²	27.9	36%	0.355	15%	0.147	S	C	.	.	H	α-helix	trans	-65	-44.1	173.5	0	0	0	0	0	112	S514 Q515 A516 L520 R521 S522	S514-A518 PolarHBondContact O-N 3.49Å; Q515-A518 CarbonylContact O-C 3.19Å; Q515-A518 WeakPolarHBondContact O-CA 3.2Å; Q515-A518 WeakPolarHBondContact O-CB 3.4Å; Q515-A518 PolarHBondContact O-N 2.89Å; A516-A518 VanDerWaalsContact C-N 3.34Å; A518-L520 PolarHBondContact O-N 3.31Å; A518-R521 PolarHBondContact O-N 3.2Å; A518-S522 PolarHBondContact O-N 2.9Å
519	V	97.3	Very high	95.7	Very high	14 Å²	14	27.9 Å²	27.9	9%	0.085	15%	0.147	C	C	.	.	H	α-helix	trans	-60	-44.2	174.5	168.9	0	0	0	0	111.2	L486 I507 Y511 Q515 A516 R521 S522 I523	L486-V519 HydrophobicContact CD2-CG1 3.5Å; I507-V519 HydrophobicContact CD1-CG1 4.33Å; I507-V519 HydrophobicContact CG2-CB 4.25Å; I507-V519 HydrophobicContact CG2-CG1 3.99Å; Y511-V519 HydrophobicContact CD1-CG2 4.5Å; Y511-V519 HydrophobicContact CD2-CG2 4.07Å; Y511-V519 HydrophobicContact CE1-CG2 4.42Å; Y511-V519 HydrophobicContact CE2-CG2 3.99Å; Y511-V519 HydrophobicContact CG-CG2 4.33Å; Q515-V519 WeakPolarHBondContact O-CG2 3.27Å; Q515-V519 PolarHBondContact O-N 2.9Å; A516-V519 PolarHBondContact O-N 3.11Å; V519-R521 VanDerWaalsContact C-N 3.28Å; V519-R521 PolarHBondContact O-N 3.04Å; V519-S522 PolarHBondContact O-N 2.82Å; V519-S522 VanDerWaalsContact O-N 3.1Å; V519-S522 PolarHBondContact O-OG 2.54Å; V519-I523 WeakPolarHBondContact O-CG1 3.08Å; V519-I523 PolarHBondContact O-N 3.4Å; V519-I523 VanDerWaalsContact O-N 3.16Å
520	L	97.9	Very high	95.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.9	-38.7	176.3	-74.5	172.7	0	0	0	112.6	F504 I507 A516 L517 A518 L542 Q545 R546 A549	F504-L520 HydrophobicContact CD2-CD1 4.05Å; F504-L520 HydrophobicContact CD2-CD2 4.3Å; F504-L520 HydrophobicContact CE2-CD1 3.76Å; I507-L520 HydrophobicContact CD1-CD2 4.23Å; A516-L520 WeakPolarHBondContact O-CG 3.47Å; A516-L520 PolarHBondContact O-N 3.5Å; L517-L520 HydrophobicContact CD2-CD1 4.42Å; A518-L520 PolarHBondContact O-N 3.31Å; L520-L542 HydrophobicContact CD2-CD1 3.84Å; L520-L542 HydrophobicContact CD2-CG 4.39Å; L520-Q545 HydrophobicContact CD1-CB 4.13Å; L520-R546 HydrophobicContact CB-CB 4.49Å; L520-R546 HydrophobicContact CD2-CB 4.46Å; L520-R546 WeakPolarHBondContact O-CD 3.38Å; L520-R546 WeakPolarHBondContact O-CG 3.31Å; L520-R546 PolarHBondContact O-NE 2.68Å; L520-A549 HydrophobicContact CB-CB 3.86Å; L520-A549 HydrophobicContact CD1-CB 4.06Å
521	R	97.1	Very high	95.8	Very high	51 Å²	51	25.1 Å²	25.1	19%	0.192	13%	0.132	C	C	.	.	H	α-helix	trans	-72.1	-29.6	175.7	-69.3	-168.7	-59	-79.6	-5.5	112.9	L517 A518 V519 I523 K524 A549 F550 N553	L517-R521 WeakPolarHBondContact O-CG 3.38Å; L517-R521 PolarHBondContact O-N 2.97Å; L517-R521 PolarHBondContact O-NH1 2.94Å; A518-R521 PolarHBondContact O-N 3.2Å; V519-R521 VanDerWaalsContact C-N 3.28Å; V519-R521 PolarHBondContact O-N 3.04Å; R521-I523 VanDerWaalsContact C-N 3.32Å; R521-K524 PolarHBondContact O-NZ 3.44Å; R521-A549 WeakPolarHBondContact CD-O 3.3Å; R521-A549 HydrophobicContact CG-CB 4.21Å; R521-A549 PolarHBondContact NH1-O 2.68Å; R521-A549 VanDerWaalsContact NH1-O 3.1Å; R521-F550 HydrophobicContact CB-CE2 4.11Å; R521-F550 HydrophobicContact CB-CZ 4.08Å; R521-F550 HydrophobicContact CG-CD1 4.48Å; R521-F550 HydrophobicContact CG-CD2 3.92Å; R521-F550 HydrophobicContact CG-CE1 4.38Å; R521-F550 HydrophobicContact CG-CE2 3.78Å; R521-F550 HydrophobicContact CG-CG 4.26Å; R521-F550 HydrophobicContact CG-CZ 4.03Å; R521-N553 PolarHBondContact NH1-ND2 3.37Å; R521-N553 VanDerWaalsContact NH1-ND2 3.2Å
522	S	97.3	Very high	95.7	Very high	6 Å²	6	23.5 Å²	23.5	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-71.8	-26.5	177.8	77.9	0	0	0	0	112.4	D492 C493 S494 A518 V519 K524	D492-S522 VanDerWaalsContact C-CB 3.49Å; D492-S522 VanDerWaalsContact O-CA 3.29Å; D492-S522 WeakPolarHBondContact O-CA 3.4Å; D492-S522 WeakPolarHBondContact O-CB 3.35Å; C493-S522 CarbonylContact C-O 3.53Å; C493-S522 WeakPolarHBondContact CA-O 3.33Å; S494-S522 PolarHBondContact N-O 3.18Å; S494-S522 PolarHBondContact OG-OG 3.47Å; A518-S522 PolarHBondContact O-N 2.9Å; V519-S522 PolarHBondContact O-N 2.82Å; V519-S522 VanDerWaalsContact O-N 3.1Å; V519-S522 PolarHBondContact O-OG 2.54Å; S522-K524 WeakPolarHBondContact O-CG 3.41Å; S522-K524 PolarHBondContact O-N 3.11Å
523	I	98.5	Very high	95.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	105.8	174.7	-62.3	165	0	0	0	109.7	L486 S494 L496 I507 V519 R521 I526 L542 R546 V560	L486-I523 HydrophobicContact CD1-CD1 4.08Å; L486-I523 HydrophobicContact CD1-CG1 3.69Å; S494-I523 WeakPolarHBondContact O-CA 3.42Å; L496-I523 HydrophobicContact CB-CG2 4.25Å; I507-I523 HydrophobicContact CD1-CD1 4.41Å; V519-I523 WeakPolarHBondContact O-CG1 3.08Å; V519-I523 PolarHBondContact O-N 3.4Å; V519-I523 VanDerWaalsContact O-N 3.16Å; R521-I523 VanDerWaalsContact C-N 3.32Å; I523-I526 HydrophobicContact CG2-CD1 4.36Å; I523-I526 HydrophobicContact CG2-CG1 3.81Å; I523-L542 HydrophobicContact CD1-CD1 4.46Å; I523-R546 PolarHBondContact O-NE 3.06Å; I523-R546 PolarHBondContact O-NH2 3.33Å; I523-V560 HydrophobicContact CG2-CG2 4.24Å
524	K	98.5	Very high	95.7	Very high	37 Å²	37	18.4 Å²	18.4	16%	0.161	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-23.3	176	-58.9	-51.9	-173.1	-179.3	0	112.8	S494 R521 S522 E558 V560 F561 L612	S494-K524 PolarHBondContact O-N 3.14Å; R521-K524 PolarHBondContact O-NZ 3.44Å; S522-K524 WeakPolarHBondContact O-CG 3.41Å; S522-K524 PolarHBondContact O-N 3.11Å; K524-E558 IonicContact NZ-OE1 3.24Å; K524-E558 IonicContact NZ-OE2 2.67Å; K524-E558 PolarHBondContact NZ-OE2 3.2Å; K524-V560 VanDerWaalsContact C-CG2 3.46Å; K524-V560 VanDerWaalsContact O-CG2 3.26Å; K524-V560 WeakPolarHBondContact O-CG2 3.27Å; K524-F561 WeakPolarHBondContact O-CD2 3.4Å; K524-F561 PolarHBondContact O-N 3.3Å; K524-L612 HydrophobicContact CB-CD2 3.9Å
525	F	98.7	Very high	95.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138	-177	-175.5	-91.1	0	0	0	111.4	L495 L496 F527 F561 M563 I589 A608 L612 L617 L631	L495-F525 CarbonylContact C-O 3.55Å; L495-F525 VanDerWaalsContact CA-O 3.26Å; L495-F525 WeakPolarHBondContact CA-O 3.48Å; L495-F525 HydrophobicContact CB-CB 3.93Å; L495-F525 HydrophobicContact CB-CD1 4.04Å; L495-F525 HydrophobicContact CB-CG 4.46Å; L496-F525 PolarHBondContact N-O 2.86Å; F525-F527 HydrophobicContact CE1-CB 3.89Å; F525-F561 CarbonylContact C-O 3.57Å; F525-F561 WeakPolarHBondContact CA-O 3.46Å; F525-F561 HydrophobicContact CD2-CB 3.62Å; F525-F561 HydrophobicContact CE2-CB 4.33Å; F525-F561 HydrophobicContact CG-CB 4.46Å; F525-M563 HydrophobicContact CE1-CB 4.2Å; F525-M563 HydrophobicContact CE2-CB 3.94Å; F525-M563 HydrophobicContact CE2-CE 4.28Å; F525-M563 HydrophobicContact CZ-CB 3.43Å; F525-M563 VanDerWaalsContact CZ-CB 3.43Å; F525-M563 HydrophobicContact CZ-CE 3.82Å; F525-M563 HydrophobicContact CZ-CG 4.26Å; F525-M563 HydrophobicContact CZ-SD 3.91Å; F525-I589 HydrophobicContact CE2-CD1 3.91Å; F525-A608 HydrophobicContact CD2-CB 4.02Å; F525-A608 HydrophobicContact CE2-CB 4.23Å; F525-L612 HydrophobicContact CB-CD1 3.7Å; F525-L612 HydrophobicContact CB-CD2 3.89Å; F525-L612 HydrophobicContact CB-CG 4.25Å; F525-L612 HydrophobicContact CD2-CD1 4.07Å; F525-L612 HydrophobicContact CG-CD1 3.9Å; F525-L617 HydrophobicContact CD2-CD2 4.34Å; F525-L617 HydrophobicContact CE1-CD1 4.17Å; F525-L617 HydrophobicContact CE2-CD2 3.81Å; F525-L617 HydrophobicContact CZ-CD1 3.98Å; F525-L617 HydrophobicContact CZ-CD2 4.08Å; F525-L617 HydrophobicContact CZ-CG 4.44Å; F525-L631 HydrophobicContact CE1-CD2 4.4Å
526	I	98.8	Very high	95.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.5	174.5	-59.8	169.4	0	0	0	107.8	L496 I523 I528 L539 L542 L543 V560 F561 L562 M563	L496-I526 HydrophobicContact CB-CG1 4.25Å; L496-I526 HydrophobicContact CD2-CG1 4.41Å; L496-I526 HydrophobicContact CD2-CG2 4.41Å; L496-I526 CarbonylContact O-C 3.58Å; L496-I526 WeakPolarHBondContact O-CA 3.39Å; I523-I526 HydrophobicContact CG2-CD1 4.36Å; I523-I526 HydrophobicContact CG2-CG1 3.81Å; I526-I528 HydrophobicContact CG2-CD1 3.96Å; I526-I528 HydrophobicContact CG2-CG1 4.34Å; I526-L539 HydrophobicContact CD1-CD1 3.99Å; I526-L539 HydrophobicContact CG2-CD1 4.13Å; I526-L542 HydrophobicContact CD1-CD2 3.62Å; I526-L542 HydrophobicContact CG1-CD2 4.4Å; I526-L543 HydrophobicContact CD1-CD2 4.26Å; I526-V560 HydrophobicContact CD1-CG1 3.95Å; I526-V560 HydrophobicContact CD1-CG2 3.97Å; I526-V560 HydrophobicContact CG1-CG2 3.9Å; I526-F561 PolarHBondContact N-O 3.25Å; I526-L562 HydrophobicContact CB-CD1 3.87Å; I526-L562 HydrophobicContact CG2-CD1 3.76Å; I526-L562 WeakPolarHBondContact O-CA 3.36Å; I526-M563 PolarHBondContact O-N 2.89Å
527	F	98.7	Very high	95.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.9	173	177.7	-119.5	0	0	0	109.5	L496 D498 F525 M563 T591 C619 H629 L631 Y643	L496-F527 PolarHBondContact O-N 2.81Å; D498-F527 WeakPolarHBondContact CA-O 3.43Å; D498-F527 PolarHBondContact N-O 2.73Å; F525-F527 HydrophobicContact CE1-CB 3.89Å; F527-M563 WeakPolarHBondContact CA-O 3.46Å; F527-M563 HydrophobicContact CD2-CB 4.1Å; F527-M563 HydrophobicContact CD2-CG 3.84Å; F527-M563 HydrophobicContact CD2-SD 3.74Å; F527-M563 HydrophobicContact CE2-CG 4.2Å; F527-M563 HydrophobicContact CE2-SD 3.92Å; F527-T591 HydrophobicContact CE2-CG2 4.45Å; F527-C619 HydrophobicContact CE2-CB 4.49Å; F527-H629 HydrophobicContact CE2-CB 4.45Å; F527-H629 HydrophobicContact CZ-CB 4.07Å; F527-H629 WeakPolarHBondContact CZ-O 3.3Å; F527-L631 HydrophobicContact CB-CD2 4.09Å; F527-L631 HydrophobicContact CD1-CB 3.86Å; F527-L631 HydrophobicContact CD1-CD2 4.13Å; F527-L631 HydrophobicContact CD1-CG 4.47Å; F527-L631 HydrophobicContact CD2-CD1 4.26Å; F527-L631 HydrophobicContact CE1-CB 3.72Å; F527-L631 HydrophobicContact CE2-CD1 4.46Å; F527-L631 HydrophobicContact CG-CB 4.32Å; F527-L631 HydrophobicContact CG-CD1 4.4Å; F527-L631 HydrophobicContact CG-CD2 4.08Å; F527-L631 HydrophobicContact CZ-CB 4.06Å; F527-Y643 HydrophobicContact CD1-CD1 4.06Å; F527-Y643 HydrophobicContact CD1-CE1 4.39Å; F527-Y643 AromaticContact CE1-CD1 3.97Å; F527-Y643 HydrophobicContact CE1-CD1 3.97Å; F527-Y643 HydrophobicContact CE1-CE1 4.34Å
528	I	98.1	Very high	95.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.			trans	-101.1	111.3	168.8	-56.1	-59.7	0	0	0	107.2	C499 I526 H530 H535 F536 L539 L562 M563 C564 P565 L568	C499-I528 HydrophobicContact CB-CD1 4.06Å; I526-I528 HydrophobicContact CG2-CD1 3.96Å; I526-I528 HydrophobicContact CG2-CG1 4.34Å; I528-H530 VanDerWaalsContact C-N 3.35Å; I528-H530 VanDerWaalsContact CG2-O 3.31Å; I528-H530 WeakPolarHBondContact CG2-O 3.3Å; I528-H530 PolarHBondContact O-N 3.3Å; I528-H535 WeakPolarHBondContact CD1-O 3.2Å; I528-F536 HydrophobicContact CD1-CB 4.12Å; I528-F536 HydrophobicContact CG2-CB 3.91Å; I528-L539 HydrophobicContact CD1-CD2 4.43Å; I528-L539 HydrophobicContact CG1-CD2 4.35Å; I528-L562 HydrophobicContact CG1-CD1 3.95Å; I528-M563 PolarHBondContact N-O 2.66Å; I528-C564 HydrophobicContact CB-CB 4.07Å; I528-C564 HydrophobicContact CG1-CB 4.36Å; I528-P565 WeakPolarHBondContact O-CD 3.15Å; I528-L568 HydrophobicContact CB-CD2 4.5Å; I528-L568 HydrophobicContact CG1-CD2 4.1Å
529	S	97.2	Very high	95.9	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.007	4%	0.036	C	C	.	.			trans	-62.2	-42.2	-173.2	61.8	0	0	0	0	112	D498 H535 A628 H629	D498-S529 WeakPolarHBondContact OD1-CB 3.42Å; D498-S529 PolarHBondContact OD1-N 3.39Å; D498-S529 PolarHBondContact OD1-OG 2.91Å; D498-S529 PolarHBondContact OD2-OG 3.45Å; S529-H535 PolarHBondContact OG-ND1 2.97Å; S529-A628 WeakPolarHBondContact O-CA 3.29Å; S529-H629 PolarHBondContact O-N 3.27Å
530	H	94.4	Very high	95.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.033	C	C	.	.	S	Bend	trans	-165	-176.3	179.2	71.3	-69.1	0	0	0	112.3	I528 H532 H535 H624 A628 D646	I528-H530 VanDerWaalsContact C-N 3.35Å; I528-H530 VanDerWaalsContact CG2-O 3.31Å; I528-H530 WeakPolarHBondContact CG2-O 3.3Å; I528-H530 PolarHBondContact O-N 3.3Å; H530-H532 AromaticContact CD2-CG 3.5Å; H530-H532 VanDerWaalsContact CD2-CG 3.5Å; H530-H532 PolarHBondContact CD2-N 3.08Å; H530-H532 AromaticContact CD2-ND1 3.44Å; H530-H532 PolarHBondContact CD2-ND1 3.45Å; H530-H532 VanDerWaalsContact NE2-CB 3.35Å; H530-H532 WeakPolarHBondContact NE2-CB 3.27Å; H530-H532 AromaticContact NE2-CE1 3.77Å; H530-H532 AromaticContact NE2-CG 3.2Å; H530-H532 AromaticContact NE2-ND1 2.87Å; H530-H532 PolarHBondContact NE2-ND1 3.22Å; H530-H532 PolarHBondContact O-N 3.39Å; H530-H535 AromaticContact CE1-CD2 3.25Å; H530-H535 PolarHBondContact CE1-CD2 2.88Å; H530-H535 AromaticContact CE1-CE1 3.45Å; H530-H535 PolarHBondContact CE1-CE1 3.46Å; H530-H535 VanDerWaalsContact CE1-CE1 3.45Å; H530-H535 AromaticContact CE1-CG 3.65Å; H530-H535 AromaticContact CE1-ND1 3.76Å; H530-H535 AromaticContact CE1-NE2 3.13Å; H530-H535 PolarHBondContact CE1-NE2 2.95Å; H530-H535 AromaticContact ND1-CD2 3.89Å; H530-H535 AromaticContact ND1-CG 3.87Å; H530-H535 AromaticContact NE2-CD2 3.81Å; H530-H535 AromaticContact NE2-NE2 3.81Å; H530-H624 AromaticContact CD2-CD2 3.6Å; H530-H624 AromaticContact CD2-NE2 3.77Å; H530-H624 AromaticContact NE2-CD2 3.59Å; H530-H624 AromaticContact NE2-NE2 3.4Å; H530-H624 PolarHBondContact NE2-NE2 3.24Å; H530-A628 HydrophobicContact CB-CB 3.69Å; H530-D646 IonicContact CE1-OD1 3.87Å; H530-D646 IonicContact CE1-OD2 3.86Å; H530-D646 PolarHBondContact CE1-OD2 3.03Å; H530-D646 VanDerWaalsContact CE1-OD2 3.24Å; H530-D646 IonicContact NE2-OD2 2.71Å
531	M	91.2	Very high	95.8	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	4%	0.038	C	C	.	.	S	Bend	trans	-91.8	18.2	-170.3	-63.4	-62.1	-45.5	0	0	115.3	V139 F536 P565 S567 L568 I571 M626	V139-M531 WeakPolarHBondContact CB-O 3.38Å; V139-M531 HydrophobicContact CG1-CB 4.14Å; V139-M531 HydrophobicContact CG1-CE 4Å; V139-M531 WeakPolarHBondContact CG1-O 3.14Å; M531-F536 HydrophobicContact CE-CE1 3.95Å; M531-F536 HydrophobicContact CE-CZ 3.92Å; M531-F536 WeakPolarHBondContact O-CE1 3.15Å; M531-P565 HydrophobicContact CG-CB 3.88Å; M531-P565 HydrophobicContact CG-CG 3.97Å; M531-P565 HydrophobicContact SD-CB 3.81Å; M531-P565 HydrophobicContact SD-CG 3.91Å; M531-S567 WeakPolarHBondContact CG-OG 3.37Å; M531-S567 PolarHBondContact SD-OG 2.66Å; M531-L568 HydrophobicContact CE-CB 4.08Å; M531-L568 HydrophobicContact CE-CD1 3.99Å; M531-L568 HydrophobicContact SD-CB 3.69Å; M531-L568 HydrophobicContact SD-CD1 4.36Å; M531-I571 HydrophobicContact CE-CD1 3.44Å; M531-I571 VanDerWaalsContact CE-CD1 3.44Å; M531-I571 HydrophobicContact CE-CG1 4.28Å; M531-M626 HydrophobicContact CB-CB 3.9Å; M531-M626 HydrophobicContact CB-CE 3.88Å; M531-M626 HydrophobicContact CB-SD 4.17Å
532	H	90.5	Very high	95.9	Very high	15 Å²	15	5.5 Å²	5.5	7%	0.069	3%	0.029	C	C	.	.			trans	-77.7	147.5	171.3	-70	160.1	0	0	0	111.6	V139 H530 D534 H535 F536 H624 M626	V139-H532 WeakPolarHBondContact O-CA 3.01Å; H530-H532 AromaticContact CD2-CG 3.5Å; H530-H532 VanDerWaalsContact CD2-CG 3.5Å; H530-H532 PolarHBondContact CD2-N 3.08Å; H530-H532 AromaticContact CD2-ND1 3.44Å; H530-H532 PolarHBondContact CD2-ND1 3.45Å; H530-H532 VanDerWaalsContact NE2-CB 3.35Å; H530-H532 WeakPolarHBondContact NE2-CB 3.27Å; H530-H532 AromaticContact NE2-CE1 3.77Å; H530-H532 AromaticContact NE2-CG 3.2Å; H530-H532 AromaticContact NE2-ND1 2.87Å; H530-H532 PolarHBondContact NE2-ND1 3.22Å; H530-H532 PolarHBondContact O-N 3.39Å; H532-D534 VanDerWaalsContact C-N 3.31Å; H532-D534 WeakPolarHBondContact CB-OD1 3.5Å; H532-D534 PolarHBondContact O-N 3.22Å; H532-H535 PolarHBondContact O-N 2.83Å; H532-H535 VanDerWaalsContact O-N 3.08Å; H532-F536 WeakPolarHBondContact O-CD1 3.47Å; H532-H624 AromaticContact CE1-CE1 3.81Å; H532-H624 AromaticContact CE1-NE2 2.99Å; H532-H624 PolarHBondContact CE1-NE2 2.97Å; H532-H624 AromaticContact ND1-NE2 3.25Å; H532-H624 PolarHBondContact ND1-NE2 2.98Å; H532-M626 PolarHBondContact CD2-SD 2.83Å
533	A	90	Very high	95.9	Very high	6 Å²	6	5.2 Å²	5.2	5%	0.05	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	-54.6	-41.5	-170.8	0	0	0	0	0	114.5	L111 V139 H535 F536 F537	L111-A533 HydrophobicContact CD1-CB 4.11Å; V139-A533 PolarHBondContact O-N 3.16Å; A533-H535 PolarHBondContact O-N 3.5Å; A533-H535 VanDerWaalsContact O-N 3.12Å; A533-F536 PolarHBondContact O-N 3.47Å; A533-F537 HydrophobicContact CB-CD1 4Å; A533-F537 HydrophobicContact CB-CD2 3.87Å; A533-F537 HydrophobicContact CB-CE1 3.65Å; A533-F537 HydrophobicContact CB-CE2 3.48Å; A533-F537 VanDerWaalsContact CB-CE2 3.48Å; A533-F537 HydrophobicContact CB-CG 4.11Å; A533-F537 HydrophobicContact CB-CZ 3.38Å; A533-F537 WeakPolarHBondContact O-CB 3.47Å; A533-F537 WeakPolarHBondContact O-CD1 3.03Å; A533-F537 WeakPolarHBondContact O-CG 3.33Å; A533-F537 PolarHBondContact O-N 3.2Å
534	D	92.1	Very high	95.8	Very high	15 Å²	15	7.1 Å²	7.1	8%	0.08	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-68.2	-4.7	-178.9	56.2	-48.1	0	0	0	114.3	A474 V482 G500 H532 H704	A474-D534 VanDerWaalsContact CA-OD2 3.27Å; A474-D534 WeakPolarHBondContact CA-OD2 3.42Å; A474-D534 PolarHBondContact N-OD2 3.5Å; V482-D534 HydrophobicContact CB-CB 3.88Å; V482-D534 HydrophobicContact CG1-CB 3.78Å; G500-D534 WeakPolarHBondContact CA-O 3.41Å; H532-D534 VanDerWaalsContact C-N 3.31Å; H532-D534 WeakPolarHBondContact CB-OD1 3.5Å; H532-D534 PolarHBondContact O-N 3.22Å; D534-H704 IonicContact OD2-NE2 2.73Å; D534-H704 PolarHBondContact OD2-NE2 3.4Å
535	H	95.5	Very high	95.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-107.2	-12.5	177.8	-58.3	-92.4	0	0	0	113.8	D498 C499 I528 S529 H530 H532 A533 D646 H704	D498-H535 HydrophobicContact CB-CB 4.15Å; D498-H535 VanDerWaalsContact CG-ND1 3.32Å; D498-H535 IonicContact OD1-ND1 2.68Å; D498-H535 IonicContact OD2-CE1 2.7Å; D498-H535 IonicContact OD2-CG 3.36Å; D498-H535 IonicContact OD2-ND1 3.72Å; D498-H535 PolarHBondContact OD2-ND1 2.84Å; C499-H535 CarbonylContact C-O 3.46Å; C499-H535 PolarHBondContact N-O 3.5Å; I528-H535 WeakPolarHBondContact CD1-O 3.2Å; S529-H535 PolarHBondContact OG-ND1 2.97Å; H530-H535 AromaticContact CE1-CD2 3.25Å; H530-H535 PolarHBondContact CE1-CD2 2.88Å; H530-H535 AromaticContact CE1-CE1 3.45Å; H530-H535 PolarHBondContact CE1-CE1 3.46Å; H530-H535 VanDerWaalsContact CE1-CE1 3.45Å; H530-H535 AromaticContact CE1-CG 3.65Å; H530-H535 AromaticContact CE1-ND1 3.76Å; H530-H535 AromaticContact CE1-NE2 3.13Å; H530-H535 PolarHBondContact CE1-NE2 2.95Å; H530-H535 AromaticContact ND1-CD2 3.89Å; H530-H535 AromaticContact ND1-CG 3.87Å; H530-H535 AromaticContact NE2-CD2 3.81Å; H530-H535 AromaticContact NE2-NE2 3.81Å; H532-H535 PolarHBondContact O-N 2.83Å; H532-H535 VanDerWaalsContact O-N 3.08Å; A533-H535 PolarHBondContact O-N 3.5Å; A533-H535 VanDerWaalsContact O-N 3.12Å; H535-D646 IonicContact CE1-OD1 2.82Å; H535-D646 PolarHBondContact CE1-OD1 3.39Å; H535-D646 VanDerWaalsContact CE1-OD1 3.28Å; H535-D646 IonicContact CE1-OD2 3.45Å; H535-D646 IonicContact NE2-OD1 2.66Å; H535-D646 IonicContact NE2-OD2 2.85Å; H535-D646 PolarHBondContact NE2-OD2 3.47Å; H535-H704 AromaticContact CE1-CD2 3.84Å; H535-H704 AromaticContact CE1-NE2 3.71Å; H535-H704 AromaticContact NE2-NE2 3.64Å
536	F	95.1	Very high	95.7	Very high	4 Å²	4	6.8 Å²	6.8	2%	0.018	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.5	-5.6	-175.6	81.3	-89.1	0	0	0	116.7	V139 C499 I528 M531 H532 A533 G538 L539 L568 I571	V139-F536 HydrophobicContact CB-CE1 4.14Å; V139-F536 HydrophobicContact CB-CZ 4.26Å; V139-F536 HydrophobicContact CG1-CE1 4.27Å; V139-F536 HydrophobicContact CG1-CZ 4.23Å; V139-F536 HydrophobicContact CG2-CE1 4.08Å; V139-F536 HydrophobicContact CG2-CZ 3.82Å; C499-F536 CarbonylContact O-C 3.59Å; C499-F536 WeakPolarHBondContact O-CA 3.4Å; C499-F536 PolarHBondContact O-N 2.81Å; I528-F536 HydrophobicContact CD1-CB 4.12Å; I528-F536 HydrophobicContact CG2-CB 3.91Å; M531-F536 HydrophobicContact CE-CE1 3.95Å; M531-F536 HydrophobicContact CE-CZ 3.92Å; M531-F536 WeakPolarHBondContact O-CE1 3.15Å; H532-F536 WeakPolarHBondContact O-CD1 3.47Å; A533-F536 PolarHBondContact O-N 3.47Å; F536-G538 PolarHBondContact O-N 2.82Å; F536-G538 VanDerWaalsContact O-N 3.16Å; F536-L539 WeakPolarHBondContact O-CB 3.35Å; F536-L539 PolarHBondContact O-N 3.28Å; F536-L568 HydrophobicContact CB-CD1 4.25Å; F536-L568 HydrophobicContact CD2-CD1 3.38Å; F536-L568 HydrophobicContact CE2-CD1 3.73Å; F536-L568 HydrophobicContact CG-CD1 3.81Å; F536-L568 HydrophobicContact CZ-CD1 4.42Å; F536-I571 HydrophobicContact CE2-CG2 4.07Å; F536-I571 HydrophobicContact CZ-CD1 4.24Å; F536-I571 HydrophobicContact CZ-CG2 4.17Å
537	F	93.7	Very high	95.6	Very high	9 Å²	9	10 Å²	10	4%	0.039	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.8	-178.2	-84.4	13	0	0	0	113.8	N107 L111 A136 V139 C499 E501 A533 L539	N107-F537 HydrophobicContact CB-CD2 3.97Å; N107-F537 HydrophobicContact CB-CE2 3.36Å; N107-F537 HydrophobicContact CB-CZ 3.94Å; L111-F537 HydrophobicContact CD1-CE2 4.27Å; A136-F537 HydrophobicContact CB-CZ 4.01Å; V139-F537 HydrophobicContact CG2-CE1 3.91Å; V139-F537 HydrophobicContact CG2-CZ 4.17Å; C499-F537 PolarHBondContact O-N 3.03Å; E501-F537 HydrophobicContact CB-CB 4.2Å; A533-F537 HydrophobicContact CB-CD1 4Å; A533-F537 HydrophobicContact CB-CD2 3.87Å; A533-F537 HydrophobicContact CB-CE1 3.65Å; A533-F537 HydrophobicContact CB-CE2 3.48Å; A533-F537 VanDerWaalsContact CB-CE2 3.48Å; A533-F537 HydrophobicContact CB-CG 4.11Å; A533-F537 HydrophobicContact CB-CZ 3.38Å; A533-F537 WeakPolarHBondContact O-CB 3.47Å; A533-F537 WeakPolarHBondContact O-CD1 3.03Å; A533-F537 WeakPolarHBondContact O-CG 3.33Å; A533-F537 PolarHBondContact O-N 3.2Å; F537-L539 VanDerWaalsContact C-N 3.32Å
538	G	96.3	Very high	95.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-8.2	174.2	0	0	0	0	0	114.7	C499 G500 F536 A540 T541 L542	C499-G538 WeakPolarHBondContact O-CA 3.48Å; C499-G538 PolarHBondContact O-N 2.84Å; C499-G538 VanDerWaalsContact SG-C 3.5Å; G500-G538 WeakPolarHBondContact O-CA 3.4Å; F536-G538 PolarHBondContact O-N 2.82Å; F536-G538 VanDerWaalsContact O-N 3.16Å; G538-A540 PolarHBondContact O-N 3.5Å; G538-T541 PolarHBondContact O-N 2.81Å; G538-L542 WeakPolarHBondContact O-CB 3.35Å; G538-L542 PolarHBondContact O-N 3.5Å
539	L	97.4	Very high	95.2	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-62.6	-42.4	-170.9	-179.3	62	0	0	0	112.7	C499 I526 I528 F536 F537 L542 L543 L562 L568 M572	C499-L539 HydrophobicContact CB-CB 4.36Å; C499-L539 HydrophobicContact CB-CD1 4.48Å; I526-L539 HydrophobicContact CD1-CD1 3.99Å; I526-L539 HydrophobicContact CG2-CD1 4.13Å; I528-L539 HydrophobicContact CD1-CD2 4.43Å; I528-L539 HydrophobicContact CG1-CD2 4.35Å; F536-L539 WeakPolarHBondContact O-CB 3.35Å; F536-L539 PolarHBondContact O-N 3.28Å; F537-L539 VanDerWaalsContact C-N 3.32Å; L539-L542 PolarHBondContact O-N 2.82Å; L539-L543 HydrophobicContact CD1-CD1 4.12Å; L539-L543 HydrophobicContact CD1-CG 4.04Å; L539-L543 HydrophobicContact CG-CD1 3.97Å; L539-L543 HydrophobicContact CG-CG 4.33Å; L539-L543 WeakPolarHBondContact O-CB 3.32Å; L539-L543 VanDerWaalsContact O-CG 3.27Å; L539-L543 WeakPolarHBondContact O-CG 3.3Å; L539-L543 PolarHBondContact O-N 3.45Å; L539-L562 HydrophobicContact CD1-CD1 4.32Å; L539-L562 HydrophobicContact CD2-CD1 4.22Å; L539-L562 HydrophobicContact CD2-CD2 4.11Å; L539-L568 HydrophobicContact CD2-CD2 3.78Å; L539-M572 HydrophobicContact CD2-CE 4.2Å; L539-M572 HydrophobicContact CD2-SD 4.02Å
540	A	95.8	Very high	95.2	Very high	3 Å²	3	14 Å²	14	3%	0.025	7%	0.07	C	C	.	.	H	α-helix	trans	-61.5	-46.6	179.6	0	0	0	0	0	111.3	W100 G538 L543 L544 F575 V579 L582	W100-A540 HydrophobicContact CD2-CB 4.38Å; W100-A540 HydrophobicContact CH2-CB 4.29Å; W100-A540 HydrophobicContact CZ2-CB 3.61Å; G538-A540 PolarHBondContact O-N 3.5Å; A540-L543 PolarHBondContact O-N 3.09Å; A540-L544 VanDerWaalsContact O-CG 3.3Å; A540-L544 WeakPolarHBondContact O-CG 3.48Å; A540-L544 PolarHBondContact O-N 3.37Å; A540-L544 VanDerWaalsContact O-N 3.07Å; A540-F575 HydrophobicContact CB-CD2 4.41Å; A540-V579 HydrophobicContact CB-CG1 4.29Å; A540-L582 HydrophobicContact CB-CD1 3.83Å
541	T	97.2	Very high	95.1	Very high	16 Å²	16	17.5 Å²	17.5	10%	0.098	9%	0.092	C	C	.	.	H	α-helix	trans	-62	-46.6	175.8	-60.8	0	0	0	0	111.3	E74 W100 F504 G538 L543 L544 Q545	E74-T541 WeakPolarHBondContact OE1-CB 3.44Å; E74-T541 PolarHBondContact OE1-OG1 2.68Å; W100-T541 PolarHBondContact NE1-OG1 3.13Å; F504-T541 HydrophobicContact CB-CG2 4.15Å; F504-T541 HydrophobicContact CD1-CG2 3.92Å; F504-T541 HydrophobicContact CG-CG2 4.37Å; G538-T541 PolarHBondContact O-N 2.81Å; T541-L543 PolarHBondContact O-N 3.41Å; T541-L544 PolarHBondContact O-N 2.69Å; T541-Q545 HydrophobicContact CG2-CG 4.09Å; T541-Q545 WeakPolarHBondContact O-CB 3.36Å; T541-Q545 WeakPolarHBondContact O-CG 3.45Å; T541-Q545 PolarHBondContact O-N 3.14Å
542	L	98.3	Very high	94.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.8	-45.8	178.8	-170.7	91	0	0	0	111.7	L496 T503 I507 L520 I523 I526 G538 L539 Q545 R546	L496-L542 HydrophobicContact CD2-CD1 4.41Å; L496-L542 HydrophobicContact CD2-CD2 3.4Å; T503-L542 HydrophobicContact CG2-CD1 4.3Å; I507-L542 HydrophobicContact CD1-CD1 4.03Å; L520-L542 HydrophobicContact CD2-CD1 3.84Å; L520-L542 HydrophobicContact CD2-CG 4.39Å; I523-L542 HydrophobicContact CD1-CD1 4.46Å; I526-L542 HydrophobicContact CD1-CD2 3.62Å; I526-L542 HydrophobicContact CG1-CD2 4.4Å; G538-L542 WeakPolarHBondContact O-CB 3.35Å; G538-L542 PolarHBondContact O-N 3.5Å; L539-L542 PolarHBondContact O-N 2.82Å; L542-Q545 PolarHBondContact O-N 3.22Å; L542-R546 WeakPolarHBondContact O-CB 3.4Å; L542-R546 PolarHBondContact O-N 2.78Å
543	L	98	Very high	94.5	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-44.1	179.6	-71.6	172.5	0	0	0	112.1	I526 L539 A540 T541 R546 K547 V560 M572 L585 Y586	I526-L543 HydrophobicContact CD1-CD2 4.26Å; L539-L543 HydrophobicContact CD1-CD1 4.12Å; L539-L543 HydrophobicContact CD1-CG 4.04Å; L539-L543 HydrophobicContact CG-CD1 3.97Å; L539-L543 HydrophobicContact CG-CG 4.33Å; L539-L543 WeakPolarHBondContact O-CB 3.32Å; L539-L543 VanDerWaalsContact O-CG 3.27Å; L539-L543 WeakPolarHBondContact O-CG 3.3Å; L539-L543 PolarHBondContact O-N 3.45Å; A540-L543 PolarHBondContact O-N 3.09Å; T541-L543 PolarHBondContact O-N 3.41Å; L543-R546 PolarHBondContact O-N 3.27Å; L543-K547 PolarHBondContact O-N 3.42Å; L543-V560 HydrophobicContact CD2-CG1 3.57Å; L543-M572 HydrophobicContact CD1-CE 3.81Å; L543-L585 HydrophobicContact CB-CD1 3.96Å; L543-L585 HydrophobicContact CD2-CB 4.4Å; L543-Y586 HydrophobicContact CD1-CD1 3.91Å; L543-Y586 HydrophobicContact CD1-CE1 4.31Å
544	L	96.2	Very high	94.4	Very high	39 Å²	39	29 Å²	29	20%	0.204	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-46.9	177.4	-69.9	173.1	0	0	0	111.3	W100 A540 T541 R546 K547 L548 V579 L582 L585	W100-L544 HydrophobicContact CB-CD1 4.41Å; W100-L544 HydrophobicContact CG-CD1 4.38Å; A540-L544 VanDerWaalsContact O-CG 3.3Å; A540-L544 WeakPolarHBondContact O-CG 3.48Å; A540-L544 PolarHBondContact O-N 3.37Å; A540-L544 VanDerWaalsContact O-N 3.07Å; T541-L544 PolarHBondContact O-N 2.69Å; L544-R546 VanDerWaalsContact C-N 3.34Å; L544-R546 PolarHBondContact O-N 2.98Å; L544-K547 WeakPolarHBondContact O-CB 3.47Å; L544-K547 PolarHBondContact O-N 3.09Å; L544-L548 WeakPolarHBondContact O-CG 3.32Å; L544-L548 PolarHBondContact O-N 2.98Å; L544-V579 HydrophobicContact CD1-CB 4.22Å; L544-V579 HydrophobicContact CD1-CG1 4.2Å; L544-L582 HydrophobicContact CD2-CD2 3.9Å; L544-L582 HydrophobicContact CG-CD2 4.03Å; L544-L585 HydrophobicContact CD2-CD1 4.42Å
545	Q	96.8	Very high	94.4	Very high	30 Å²	30	33.1 Å²	33.1	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-68	-35.2	179.6	-66.4	-64.6	-27.7	0	0	111.8	F504 L520 T541 L542 L548 A549	F504-Q545 HydrophobicContact CD1-CB 4.35Å; F504-Q545 HydrophobicContact CD1-CG 3.69Å; F504-Q545 HydrophobicContact CD2-CB 3.94Å; F504-Q545 HydrophobicContact CD2-CG 4.19Å; F504-Q545 HydrophobicContact CE1-CB 4.23Å; F504-Q545 HydrophobicContact CE1-CG 3.5Å; F504-Q545 HydrophobicContact CE2-CB 3.85Å; F504-Q545 HydrophobicContact CE2-CG 4.06Å; F504-Q545 HydrophobicContact CG-CB 4.19Å; F504-Q545 HydrophobicContact CG-CG 4.01Å; F504-Q545 HydrophobicContact CZ-CB 3.98Å; F504-Q545 HydrophobicContact CZ-CG 3.7Å; L520-Q545 HydrophobicContact CD1-CB 4.13Å; T541-Q545 HydrophobicContact CG2-CG 4.09Å; T541-Q545 WeakPolarHBondContact O-CB 3.36Å; T541-Q545 WeakPolarHBondContact O-CG 3.45Å; T541-Q545 PolarHBondContact O-N 3.14Å; L542-Q545 PolarHBondContact O-N 3.22Å; Q545-L548 PolarHBondContact O-N 2.91Å; Q545-A549 WeakPolarHBondContact O-CB 3.25Å; Q545-A549 PolarHBondContact O-N 3.4Å
546	R	97.7	Very high	94.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-45.7	170.2	-177	173.9	-180	-70.6	-0.6	111.1	L520 I523 L542 L543 L544 L548 A549 F550 Y557 E558	L520-R546 HydrophobicContact CB-CB 4.49Å; L520-R546 HydrophobicContact CD2-CB 4.46Å; L520-R546 WeakPolarHBondContact O-CD 3.38Å; L520-R546 WeakPolarHBondContact O-CG 3.31Å; L520-R546 PolarHBondContact O-NE 2.68Å; I523-R546 PolarHBondContact O-NE 3.06Å; I523-R546 PolarHBondContact O-NH2 3.33Å; L542-R546 WeakPolarHBondContact O-CB 3.4Å; L542-R546 PolarHBondContact O-N 2.78Å; L543-R546 PolarHBondContact O-N 3.27Å; L544-R546 VanDerWaalsContact C-N 3.34Å; L544-R546 PolarHBondContact O-N 2.98Å; R546-L548 VanDerWaalsContact C-N 3.31Å; R546-L548 PolarHBondContact O-N 2.67Å; R546-A549 WeakPolarHBondContact O-CB 3.13Å; R546-A549 PolarHBondContact O-N 3.03Å; R546-A549 VanDerWaalsContact O-N 3.09Å; R546-F550 HydrophobicContact CG-CD2 4.4Å; R546-F550 HydrophobicContact CG-CE2 4.11Å; R546-F550 WeakPolarHBondContact O-CD2 3.43Å; R546-F550 PolarHBondContact O-N 2.66Å; R546-Y557 PolarHBondContact NH1-OH 2.92Å; R546-E558 PolarHBondContact NH1-O 3.36Å; R546-E558 PolarHBondContact NH2-O 3.19Å
547	K	96.9	Very high	94.4	Very high	68 Å²	68	40.9 Å²	40.9	30%	0.296	22%	0.223	S	C	.	.	H	α-helix	trans	-55	-48.6	174.4	-169.3	-172.8	-167.9	168.9	0	111.3	L543 L544 A549 F550 T551 Y557 E584 L585	L543-K547 PolarHBondContact O-N 3.42Å; L544-K547 WeakPolarHBondContact O-CB 3.47Å; L544-K547 PolarHBondContact O-N 3.09Å; K547-A549 VanDerWaalsContact C-N 3.29Å; K547-A549 PolarHBondContact O-N 2.87Å; K547-F550 PolarHBondContact O-N 3.42Å; K547-T551 PolarHBondContact O-N 2.9Å; K547-T551 PolarHBondContact O-OG1 2.67Å; K547-Y557 VanDerWaalsContact CA-CE2 3.43Å; K547-Y557 HydrophobicContact CB-CD2 4.17Å; K547-Y557 HydrophobicContact CB-CE2 3.86Å; K547-Y557 HydrophobicContact CG-CD2 3.99Å; K547-Y557 HydrophobicContact CG-CE2 4.12Å; K547-Y557 HydrophobicContact CG-CG 4.41Å; K547-E584 IonicContact NZ-OE1 2.69Å; K547-E584 PolarHBondContact NZ-OE1 3.48Å; K547-L585 HydrophobicContact CB-CD2 4.27Å; K547-L585 HydrophobicContact CD-CD2 3.62Å; K547-L585 HydrophobicContact CG-CD2 4.05Å
548	L	93.8	Very high	94.4	Very high	72 Å²	72	43.9 Å²	43.9	38%	0.377	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-37	176.5	-67.1	174.4	0	0	0	112.6	L544 Q545 R546 F550 T551 R552	L544-L548 WeakPolarHBondContact O-CG 3.32Å; L544-L548 PolarHBondContact O-N 2.98Å; Q545-L548 PolarHBondContact O-N 2.91Å; R546-L548 VanDerWaalsContact C-N 3.31Å; R546-L548 PolarHBondContact O-N 2.67Å; L548-F550 VanDerWaalsContact C-N 3.25Å; L548-F550 PolarHBondContact O-N 3.32Å; L548-T551 PolarHBondContact O-N 3.29Å; L548-R552 VanDerWaalsContact O-CB 3.24Å; L548-R552 WeakPolarHBondContact O-CB 3.41Å; L548-R552 VanDerWaalsContact O-CG 3.24Å; L548-R552 WeakPolarHBondContact O-CG 3.4Å; L548-R552 PolarHBondContact O-N 3.15Å
549	A	95.9	Very high	94.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-23.6	178.5	0	0	0	0	0	114.4	L517 L520 R521 Q545 R546 K547	L517-A549 HydrophobicContact CB-CB 4.23Å; L517-A549 HydrophobicContact CD2-CB 3.65Å; L520-A549 HydrophobicContact CB-CB 3.86Å; L520-A549 HydrophobicContact CD1-CB 4.06Å; R521-A549 WeakPolarHBondContact CD-O 3.3Å; R521-A549 HydrophobicContact CG-CB 4.21Å; R521-A549 PolarHBondContact NH1-O 2.68Å; R521-A549 VanDerWaalsContact NH1-O 3.1Å; Q545-A549 WeakPolarHBondContact O-CB 3.25Å; Q545-A549 PolarHBondContact O-N 3.4Å; R546-A549 WeakPolarHBondContact O-CB 3.13Å; R546-A549 PolarHBondContact O-N 3.03Å; R546-A549 VanDerWaalsContact O-N 3.09Å; K547-A549 VanDerWaalsContact C-N 3.29Å; K547-A549 PolarHBondContact O-N 2.87Å
550	F	96.9	Very high	94.5	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.057	25%	0.251	C	S	.	.	H	α-helix	trans	-82.5	-53.9	168.7	-78.7	-95.9	0	0	0	111	R521 R546 K547 L548 R552 N553 G554 F555 P556 Y557 E558	R521-F550 HydrophobicContact CB-CE2 4.11Å; R521-F550 HydrophobicContact CB-CZ 4.08Å; R521-F550 HydrophobicContact CG-CD1 4.48Å; R521-F550 HydrophobicContact CG-CD2 3.92Å; R521-F550 HydrophobicContact CG-CE1 4.38Å; R521-F550 HydrophobicContact CG-CE2 3.78Å; R521-F550 HydrophobicContact CG-CG 4.26Å; R521-F550 HydrophobicContact CG-CZ 4.03Å; R546-F550 HydrophobicContact CG-CD2 4.4Å; R546-F550 HydrophobicContact CG-CE2 4.11Å; R546-F550 WeakPolarHBondContact O-CD2 3.43Å; R546-F550 PolarHBondContact O-N 2.66Å; K547-F550 PolarHBondContact O-N 3.42Å; L548-F550 VanDerWaalsContact C-N 3.25Å; L548-F550 PolarHBondContact O-N 3.32Å; F550-R552 PolarHBondContact O-N 2.95Å; F550-N553 PolarHBondContact O-N 3.26Å; F550-G554 PolarHBondContact O-N 2.89Å; F550-F555 HydrophobicContact CB-CB 4.36Å; F550-F555 HydrophobicContact CD1-CB 3.9Å; F550-F555 PolarHBondContact O-N 3.33Å; F550-P556 WeakPolarHBondContact CD1-O 3.4Å; F550-Y557 HydrophobicContact CB-CD2 4.05Å; F550-Y557 AromaticContact CD2-CD2 3.82Å; F550-Y557 HydrophobicContact CD2-CD2 3.82Å; F550-Y557 HydrophobicContact CD2-CE2 4.11Å; F550-Y557 HydrophobicContact CG-CD2 4.01Å; F550-E558 HydrophobicContact CE1-CB 4.09Å; F550-E558 HydrophobicContact CZ-CB 4.17Å
551	T	93	Very high	94.7	Very high	73 Å²	73	46.4 Å²	46.4	45%	0.448	25%	0.252	S	S	.	.	H	α-helix	trans	-69.3	-35.7	-169.8	58.4	0	0	0	0	113.4	K547 L548 N553 G554	K547-T551 PolarHBondContact O-N 2.9Å; K547-T551 PolarHBondContact O-OG1 2.67Å; L548-T551 PolarHBondContact O-N 3.29Å; T551-N553 PolarHBondContact O-N 2.72Å; T551-G554 PolarHBondContact O-N 3.12Å; T551-G554 VanDerWaalsContact O-N 3.08Å
552	R	84.9	Confident	94.7	Very high	109 Å²	109	45.6 Å²	45.6	41%	0.411	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.4	177.8	-74.1	176.1	75.1	158.4	8.5	113	E355 L548 F550	E355-R552 IonicContact OE1-CZ 3.66Å; E355-R552 IonicContact OE1-NH1 2.69Å; E355-R552 PolarHBondContact OE1-NH1 3.32Å; E355-R552 IonicContact OE1-NH2 3.9Å; E355-R552 PolarHBondContact OE1-NH2 2.76Å; E355-R552 IonicContact OE2-NH1 3.65Å; E355-R552 PolarHBondContact OE2-NH1 3.41Å; L548-R552 VanDerWaalsContact O-CB 3.24Å; L548-R552 WeakPolarHBondContact O-CB 3.41Å; L548-R552 VanDerWaalsContact O-CG 3.24Å; L548-R552 WeakPolarHBondContact O-CG 3.4Å; L548-R552 PolarHBondContact O-N 3.15Å; F550-R552 PolarHBondContact O-N 2.95Å
553	N	82.6	Confident	94.7	Very high	87 Å²	87	45.7 Å²	45.7	47%	0.465	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	11.4	179.2	-73.3	-16.6	0	0	0	112.7	R521 F550 T551 F555	R521-N553 PolarHBondContact NH1-ND2 3.37Å; R521-N553 VanDerWaalsContact NH1-ND2 3.2Å; F550-N553 PolarHBondContact O-N 3.26Å; T551-N553 PolarHBondContact O-N 2.72Å; N553-F555 HydrophobicContact CB-CD2 3.5Å; N553-F555 VanDerWaalsContact CB-CD2 3.5Å; N553-F555 HydrophobicContact CB-CE2 3.43Å; N553-F555 VanDerWaalsContact CB-CE2 3.43Å; N553-F555 HydrophobicContact CB-CZ 4.49Å; N553-F555 PolarHBondContact O-N 3.16Å
554	G	89.3	Confident	94.6	Very high	68 Å²	68	45.6 Å²	45.6	70%	0.701	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	14.8	178.9	0	0	0	0	0	114.8	F550 T551	F550-G554 PolarHBondContact O-N 2.89Å; T551-G554 PolarHBondContact O-N 3.12Å; T551-G554 VanDerWaalsContact O-N 3.08Å
555	F	90.8	Very high	94.4	Very high	101 Å²	101	44 Å²	44	44%	0.443	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-80.8	141.6	175.6	-62.6	-65.3	0	0	0	110.9	F550 N553 Y557	F550-F555 HydrophobicContact CB-CB 4.36Å; F550-F555 HydrophobicContact CD1-CB 3.9Å; F550-F555 PolarHBondContact O-N 3.33Å; N553-F555 HydrophobicContact CB-CD2 3.5Å; N553-F555 VanDerWaalsContact CB-CD2 3.5Å; N553-F555 HydrophobicContact CB-CE2 3.43Å; N553-F555 VanDerWaalsContact CB-CE2 3.43Å; N553-F555 HydrophobicContact CB-CZ 4.49Å; N553-F555 PolarHBondContact O-N 3.16Å; F555-Y557 PolarHBondContact O-N 2.78Å
556	P	94.5	Very high	94	Very high	115 Å²	115	46.5 Å²	46.5	75%	0.747	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-61.9	134.8	169.4	27.3	-33.4	0	0	0	109.6	F550 E558	F550-P556 WeakPolarHBondContact CD1-O 3.4Å; P556-E558 PolarHBondContact O-N 3.3Å
557	Y	96	Very high	93.5	Very high	53 Å²	53	48 Å²	48	21%	0.208	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-70.8	129.1	179.8	-178.2	-101.2	0	0	0	111.1	R546 K547 F550 F555 P559 L585	R546-Y557 PolarHBondContact NH1-OH 2.92Å; K547-Y557 VanDerWaalsContact CA-CE2 3.43Å; K547-Y557 HydrophobicContact CB-CD2 4.17Å; K547-Y557 HydrophobicContact CB-CE2 3.86Å; K547-Y557 HydrophobicContact CG-CD2 3.99Å; K547-Y557 HydrophobicContact CG-CE2 4.12Å; K547-Y557 HydrophobicContact CG-CG 4.41Å; F550-Y557 HydrophobicContact CB-CD2 4.05Å; F550-Y557 AromaticContact CD2-CD2 3.82Å; F550-Y557 HydrophobicContact CD2-CD2 3.82Å; F550-Y557 HydrophobicContact CD2-CE2 4.11Å; F550-Y557 HydrophobicContact CG-CD2 4.01Å; F555-Y557 PolarHBondContact O-N 2.78Å; Y557-P559 HydrophobicContact CD1-CG 4.43Å; Y557-P559 HydrophobicContact CE1-CB 4.43Å; Y557-P559 HydrophobicContact CE1-CG 4.27Å; Y557-L585 HydrophobicContact CD1-CD2 4.44Å; Y557-L585 HydrophobicContact CE1-CB 4.31Å; Y557-L585 HydrophobicContact CE1-CD2 3.79Å; Y557-L585 WeakPolarHBondContact OH-CB 3.31Å; Y557-L585 PolarHBondContact OH-O 2.88Å
558	E	94.8	Very high	93.2	Very high	72 Å²	72	44.8 Å²	44.8	34%	0.336	25%	0.247	S	C	.	.			trans	-106.5	115	175.5	-176.8	-168.4	160.4	0	0	109.6	K524 R546 F550 P556 V560	K524-E558 IonicContact NZ-OE1 3.24Å; K524-E558 IonicContact NZ-OE2 2.67Å; K524-E558 PolarHBondContact NZ-OE2 3.2Å; R546-E558 PolarHBondContact NH1-O 3.36Å; R546-E558 PolarHBondContact NH2-O 3.19Å; F550-E558 HydrophobicContact CE1-CB 4.09Å; F550-E558 HydrophobicContact CZ-CB 4.17Å; P556-E558 PolarHBondContact O-N 3.3Å; E558-V560 PolarHBondContact O-N 3.43Å
559	P	97.5	Very high	92.9	Very high	48 Å²	48	42.5 Å²	42.5	31%	0.312	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-58.1	134.4	177.5	-26.5	35.9	0	0	0	112.8	Y557 L585 R587	Y557-P559 HydrophobicContact CD1-CG 4.43Å; Y557-P559 HydrophobicContact CE1-CB 4.43Å; Y557-P559 HydrophobicContact CE1-CG 4.27Å; P559-L585 WeakPolarHBondContact CA-O 3.12Å; P559-R587 HydrophobicContact CB-CG 4.15Å
560	V	98.4	Very high	92.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	146.1	178.9	70.5	0	0	0	0	110.9	I523 K524 I526 L543 E558 L562 L585 Y586 R587	I523-V560 HydrophobicContact CG2-CG2 4.24Å; K524-V560 VanDerWaalsContact C-CG2 3.46Å; K524-V560 VanDerWaalsContact O-CG2 3.26Å; K524-V560 WeakPolarHBondContact O-CG2 3.27Å; I526-V560 HydrophobicContact CD1-CG1 3.95Å; I526-V560 HydrophobicContact CD1-CG2 3.97Å; I526-V560 HydrophobicContact CG1-CG2 3.9Å; L543-V560 HydrophobicContact CD2-CG1 3.57Å; E558-V560 PolarHBondContact O-N 3.43Å; V560-L562 PolarHBondContact O-N 2.96Å; V560-L585 PolarHBondContact N-O 3.03Å; V560-L585 VanDerWaalsContact N-O 3.08Å; V560-Y586 CarbonylContact O-C 3.55Å; V560-Y586 WeakPolarHBondContact O-CA 3.4Å; V560-Y586 VanDerWaalsContact O-CB 3.28Å; V560-Y586 WeakPolarHBondContact O-CB 3.49Å; V560-R587 PolarHBondContact O-N 3.4Å
561	F	98.6	Very high	91.9	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	122.3	168.9	-63.7	-77.3	0	0	0	109.6	K524 F525 I526 R587 I589 N604 D607 A608 A611	K524-F561 WeakPolarHBondContact O-CD2 3.4Å; K524-F561 PolarHBondContact O-N 3.3Å; F525-F561 CarbonylContact C-O 3.57Å; F525-F561 WeakPolarHBondContact CA-O 3.46Å; F525-F561 HydrophobicContact CD2-CB 3.62Å; F525-F561 HydrophobicContact CE2-CB 4.33Å; F525-F561 HydrophobicContact CG-CB 4.46Å; I526-F561 PolarHBondContact N-O 3.25Å; F561-R587 HydrophobicContact CD1-CB 3.99Å; F561-R587 HydrophobicContact CE1-CB 4.31Å; F561-I589 HydrophobicContact CB-CD1 4.18Å; F561-I589 HydrophobicContact CD1-CD1 4.36Å; F561-N604 HydrophobicContact CD1-CB 4.49Å; F561-N604 WeakPolarHBondContact CD1-O 3.13Å; F561-N604 WeakPolarHBondContact CE1-O 3.4Å; F561-D607 HydrophobicContact CE1-CB 3.74Å; F561-D607 HydrophobicContact CZ-CB 3.68Å; F561-A608 HydrophobicContact CB-CB 4.02Å; F561-A608 HydrophobicContact CD1-CB 3.85Å; F561-A608 HydrophobicContact CD2-CB 3.86Å; F561-A608 HydrophobicContact CE1-CB 4.25Å; F561-A608 HydrophobicContact CE2-CB 4.27Å; F561-A608 HydrophobicContact CG-CB 3.64Å; F561-A608 HydrophobicContact CZ-CB 4.46Å; F561-A611 HydrophobicContact CE2-CB 3.8Å
562	L	98.4	Very high	91.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	102.3	-179.3	178	62.2	0	0	0	110	I526 I528 L539 V560 C564 L568 Y586 R587 H588 I589	I526-L562 HydrophobicContact CB-CD1 3.87Å; I526-L562 HydrophobicContact CG2-CD1 3.76Å; I526-L562 WeakPolarHBondContact O-CA 3.36Å; I528-L562 HydrophobicContact CG1-CD1 3.95Å; L539-L562 HydrophobicContact CD1-CD1 4.32Å; L539-L562 HydrophobicContact CD2-CD1 4.22Å; L539-L562 HydrophobicContact CD2-CD2 4.11Å; V560-L562 PolarHBondContact O-N 2.96Å; L562-C564 HydrophobicContact CD1-CB 4.42Å; L562-C564 HydrophobicContact CG-CB 4.22Å; L562-L568 HydrophobicContact CD2-CD2 4.21Å; L562-Y586 HydrophobicContact CB-CD2 3.91Å; L562-Y586 HydrophobicContact CB-CG 4Å; L562-Y586 HydrophobicContact CD2-CD1 4.02Å; L562-Y586 HydrophobicContact CD2-CD2 3.72Å; L562-Y586 HydrophobicContact CD2-CE1 4.17Å; L562-Y586 HydrophobicContact CD2-CE2 3.9Å; L562-Y586 HydrophobicContact CD2-CG 3.79Å; L562-Y586 HydrophobicContact CG-CD2 4.42Å; L562-R587 PolarHBondContact N-O 2.83Å; L562-H588 WeakPolarHBondContact O-CA 3.44Å; L562-I589 PolarHBondContact O-N 3.47Å
563	M	97.6	Very high	91.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	118	170.8	-176.6	178.5	-76.4	0	0	110.1	F525 I526 F527 I528 I589 T591 L605 C619 L631	F525-M563 HydrophobicContact CE1-CB 4.2Å; F525-M563 HydrophobicContact CE2-CB 3.94Å; F525-M563 HydrophobicContact CE2-CE 4.28Å; F525-M563 HydrophobicContact CZ-CB 3.43Å; F525-M563 VanDerWaalsContact CZ-CB 3.43Å; F525-M563 HydrophobicContact CZ-CE 3.82Å; F525-M563 HydrophobicContact CZ-CG 4.26Å; F525-M563 HydrophobicContact CZ-SD 3.91Å; I526-M563 PolarHBondContact O-N 2.89Å; F527-M563 WeakPolarHBondContact CA-O 3.46Å; F527-M563 HydrophobicContact CD2-CB 4.1Å; F527-M563 HydrophobicContact CD2-CG 3.84Å; F527-M563 HydrophobicContact CD2-SD 3.74Å; F527-M563 HydrophobicContact CE2-CG 4.2Å; F527-M563 HydrophobicContact CE2-SD 3.92Å; I528-M563 PolarHBondContact N-O 2.66Å; M563-I589 VanDerWaalsContact CA-O 3.24Å; M563-I589 WeakPolarHBondContact CA-O 3.3Å; M563-I589 HydrophobicContact CB-CB 4.2Å; M563-I589 HydrophobicContact CE-CB 4.5Å; M563-I589 HydrophobicContact CE-CG2 3.69Å; M563-I589 HydrophobicContact CG-CB 4.43Å; M563-I589 HydrophobicContact CG-CG2 4.29Å; M563-T591 HydrophobicContact CG-CG2 3.62Å; M563-T591 HydrophobicContact SD-CG2 4.24Å; M563-L605 HydrophobicContact CE-CD1 3.67Å; M563-C619 HydrophobicContact SD-CB 3.71Å; M563-L631 HydrophobicContact SD-CD1 4.2Å
564	C	95.7	Very high	91.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	164	-171.4	61.1	0	0	0	0	113.7	I528 L562 L568 I589 Y590 T591	I528-C564 HydrophobicContact CB-CB 4.07Å; I528-C564 HydrophobicContact CG1-CB 4.36Å; L562-C564 HydrophobicContact CD1-CB 4.42Å; L562-C564 HydrophobicContact CG-CB 4.22Å; C564-L568 HydrophobicContact CB-CB 4.29Å; C564-L568 HydrophobicContact CB-CD2 3.44Å; C564-L568 VanDerWaalsContact CB-CD2 3.44Å; C564-L568 HydrophobicContact CB-CG 4.5Å; C564-I589 PolarHBondContact N-O 3.22Å; C564-I589 VanDerWaalsContact N-O 3.1Å; C564-Y590 WeakPolarHBondContact O-CA 3.44Å; C564-T591 PolarHBondContact O-N 3.08Å; C564-T591 PolarHBondContact O-OG1 3.21Å
565	P	92.6	Very high	91.8	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.032	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	148.4	170.6	-19.2	32	0	0	0	112.7	I528 M531 S567 L568 T591	I528-P565 WeakPolarHBondContact O-CD 3.15Å; M531-P565 HydrophobicContact CG-CB 3.88Å; M531-P565 HydrophobicContact CG-CG 3.97Å; M531-P565 HydrophobicContact SD-CB 3.81Å; M531-P565 HydrophobicContact SD-CG 3.91Å; P565-S567 PolarHBondContact O-N 3.43Å; P565-S567 VanDerWaalsContact O-N 3.07Å; P565-L568 WeakPolarHBondContact O-CB 3.49Å; P565-L568 PolarHBondContact O-N 2.7Å; P565-T591 WeakPolarHBondContact CA-OG1 3.46Å
566	Q	88.3	Confident	91.6	Very high	82 Å²	82	37.3 Å²	37.3	38%	0.383	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.9	-177.5	-66.5	-177.7	1.9	0	0	115	P569 Y590 H592	Q566-P569 WeakPolarHBondContact O-CD 3.35Å; Q566-Y590 HydrophobicContact CG-CD1 4.24Å; Q566-Y590 HydrophobicContact CG-CG 3.99Å; Q566-H592 PolarHBondContact NE2-CE1 2.95Å; Q566-H592 PolarHBondContact NE2-ND1 2.91Å; Q566-H592 VanDerWaalsContact NE2-ND1 3.13Å
567	S	86.6	Confident	91.2	Very high	32 Å²	32	36.5 Å²	36.5	22%	0.224	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-19.7	177.5	44.1	0	0	0	0	113.6	M531 P565 S570 I571	M531-S567 WeakPolarHBondContact CG-OG 3.37Å; M531-S567 PolarHBondContact SD-OG 2.66Å; P565-S567 PolarHBondContact O-N 3.43Å; P565-S567 VanDerWaalsContact O-N 3.07Å; S567-S570 WeakPolarHBondContact O-CB 3.44Å; S567-S570 PolarHBondContact O-N 3.37Å; S567-I571 PolarHBondContact O-N 3.19Å
568	L	90.8	Very high	90.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.4	-49.5	-175.4	179.1	67.9	0	0	0	113.1	I528 M531 F536 L539 L562 C564 P565 S570 I571 M572	I528-L568 HydrophobicContact CB-CD2 4.5Å; I528-L568 HydrophobicContact CG1-CD2 4.1Å; M531-L568 HydrophobicContact CE-CB 4.08Å; M531-L568 HydrophobicContact CE-CD1 3.99Å; M531-L568 HydrophobicContact SD-CB 3.69Å; M531-L568 HydrophobicContact SD-CD1 4.36Å; F536-L568 HydrophobicContact CB-CD1 4.25Å; F536-L568 HydrophobicContact CD2-CD1 3.38Å; F536-L568 HydrophobicContact CE2-CD1 3.73Å; F536-L568 HydrophobicContact CG-CD1 3.81Å; F536-L568 HydrophobicContact CZ-CD1 4.42Å; L539-L568 HydrophobicContact CD2-CD2 3.78Å; L562-L568 HydrophobicContact CD2-CD2 4.21Å; C564-L568 HydrophobicContact CB-CB 4.29Å; C564-L568 HydrophobicContact CB-CD2 3.44Å; C564-L568 VanDerWaalsContact CB-CD2 3.44Å; C564-L568 HydrophobicContact CB-CG 4.5Å; P565-L568 WeakPolarHBondContact O-CB 3.49Å; P565-L568 PolarHBondContact O-N 2.7Å; L568-S570 PolarHBondContact O-N 2.97Å; L568-I571 PolarHBondContact O-N 3.34Å; L568-M572 HydrophobicContact CD1-CG 4.17Å; L568-M572 HydrophobicContact CD1-SD 4.34Å; L568-M572 HydrophobicContact CD2-SD 4.23Å; L568-M572 HydrophobicContact CG-CG 4.21Å; L568-M572 HydrophobicContact CG-SD 3.9Å; L568-M572 WeakPolarHBondContact O-CG 3.39Å; L568-M572 PolarHBondContact O-N 3.47Å
569	P	88	Confident	90.5	Very high	25 Å²	25	32.9 Å²	32.9	16%	0.162	18%	0.184	C	C	.	.	H	α-helix	trans	-56.5	-36.9	177.5	-25.1	33.4	0	0	0	113.4	Q566 I571 M572 V573 Y590	Q566-P569 WeakPolarHBondContact O-CD 3.35Å; P569-I571 VanDerWaalsContact C-N 3.26Å; P569-I571 PolarHBondContact O-N 3.3Å; P569-M572 PolarHBondContact O-N 3.03Å; P569-V573 VanDerWaalsContact O-CG2 3.3Å; P569-V573 WeakPolarHBondContact O-CG2 3.28Å; P569-V573 PolarHBondContact O-N 3.22Å; P569-Y590 HydrophobicContact CG-CE1 3.65Å; P569-Y590 WeakPolarHBondContact CG-OH 3.43Å
570	S	86	Confident	90.1	Very high	54 Å²	54	32.3 Å²	32.3	38%	0.378	19%	0.188	S	C	.	.	H	α-helix	trans	-63.2	-34	179.2	-62.3	0	0	0	0	112.1	S567 L568	S567-S570 WeakPolarHBondContact O-CB 3.44Å; S567-S570 PolarHBondContact O-N 3.37Å; L568-S570 PolarHBondContact O-N 2.97Å
571	I	86.3	Confident	89.6	Confident	14 Å²	14	36.8 Å²	36.8	7%	0.072	21%	0.211	C	C	.	.	H	α-helix	trans	-77.9	-42.7	175.1	-59.6	-173.2	0	0	0	110.8	V139 M531 F536 S567 L568 P569 V573 L574 F575	V139-I571 HydrophobicContact CB-CD1 4.3Å; V139-I571 HydrophobicContact CG1-CD1 3.12Å; V139-I571 HydrophobicContact CG2-CD1 4.26Å; M531-I571 HydrophobicContact CE-CD1 3.44Å; M531-I571 VanDerWaalsContact CE-CD1 3.44Å; M531-I571 HydrophobicContact CE-CG1 4.28Å; F536-I571 HydrophobicContact CE2-CG2 4.07Å; F536-I571 HydrophobicContact CZ-CD1 4.24Å; F536-I571 HydrophobicContact CZ-CG2 4.17Å; S567-I571 PolarHBondContact O-N 3.19Å; L568-I571 PolarHBondContact O-N 3.34Å; P569-I571 VanDerWaalsContact C-N 3.26Å; P569-I571 PolarHBondContact O-N 3.3Å; I571-V573 PolarHBondContact O-N 3.17Å; I571-L574 VanDerWaalsContact O-CB 3.24Å; I571-L574 WeakPolarHBondContact O-CB 3.28Å; I571-L574 PolarHBondContact O-N 3.39Å; I571-F575 HydrophobicContact CG2-CZ 4.15Å
572	M	87.5	Confident	89.3	Confident	11 Å²	11	36.8 Å²	36.8	5%	0.054	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-28.9	177.2	-67.6	-179.7	74.6	0	0	112.6	L539 L543 L568 P569 L574 F575 K576 L582 Y586	L539-M572 HydrophobicContact CD2-CE 4.2Å; L539-M572 HydrophobicContact CD2-SD 4.02Å; L543-M572 HydrophobicContact CD1-CE 3.81Å; L568-M572 HydrophobicContact CD1-CG 4.17Å; L568-M572 HydrophobicContact CD1-SD 4.34Å; L568-M572 HydrophobicContact CD2-SD 4.23Å; L568-M572 HydrophobicContact CG-CG 4.21Å; L568-M572 HydrophobicContact CG-SD 3.9Å; L568-M572 WeakPolarHBondContact O-CG 3.39Å; L568-M572 PolarHBondContact O-N 3.47Å; P569-M572 PolarHBondContact O-N 3.03Å; M572-L574 PolarHBondContact O-N 2.92Å; M572-F575 WeakPolarHBondContact O-CB 3.39Å; M572-F575 PolarHBondContact O-N 2.88Å; M572-K576 PolarHBondContact O-N 3.34Å; M572-L582 HydrophobicContact CE-CB 3.87Å; M572-L582 HydrophobicContact CE-CD1 3.49Å; M572-L582 VanDerWaalsContact CE-CD1 3.49Å; M572-L582 HydrophobicContact CE-CG 4.33Å; M572-Y586 HydrophobicContact CE-CE1 3.81Å; M572-Y586 HydrophobicContact SD-CE1 4.32Å
573	V	86.8	Confident	88.9	Confident	93 Å²	93	38.5 Å²	38.5	56%	0.564	23%	0.23	S	C	*	.	H	α-helix	trans	-59.7	-30.9	172.6	165.3	0	0	0	0	112.1	P569 I571 F575 K576	P569-V573 VanDerWaalsContact O-CG2 3.3Å; P569-V573 WeakPolarHBondContact O-CG2 3.28Å; P569-V573 PolarHBondContact O-N 3.22Å; I571-V573 PolarHBondContact O-N 3.17Å; V573-F575 PolarHBondContact O-N 3.31Å; V573-K576 WeakPolarHBondContact O-CB 3.33Å; V573-K576 PolarHBondContact O-N 3.42Å
574	L	85.3	Confident	88.7	Confident	47 Å²	47	43.4 Å²	43.4	25%	0.246	25%	0.253	C	S	.	.	H	α-helix	trans	-68.6	-23.4	176.1	-56.3	175.6	0	0	0	112.6	I571 M572 P577	I571-L574 VanDerWaalsContact O-CB 3.24Å; I571-L574 WeakPolarHBondContact O-CB 3.28Å; I571-L574 PolarHBondContact O-N 3.39Å; M572-L574 PolarHBondContact O-N 2.92Å; L574-P577 WeakPolarHBondContact O-CD 3.31Å
575	F	87.2	Confident	88.8	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-81.9	-20.8	175.9	-53.4	-25.7	0	0	0	112.1	W100 M132 A540 I571 M572 V573 P577 Y578 V579	W100-F575 HydrophobicContact CE3-CB 4.39Å; W100-F575 HydrophobicContact CH2-CB 4.47Å; W100-F575 AromaticContact CH2-CD1 3.97Å; W100-F575 HydrophobicContact CH2-CD1 3.97Å; W100-F575 AromaticContact CH2-CD2 3.85Å; W100-F575 HydrophobicContact CH2-CD2 3.85Å; W100-F575 HydrophobicContact CH2-CE1 4.15Å; W100-F575 HydrophobicContact CH2-CE2 4.01Å; W100-F575 AromaticContact CH2-CG 3.84Å; W100-F575 HydrophobicContact CH2-CG 3.84Å; W100-F575 HydrophobicContact CH2-CZ 4.17Å; W100-F575 HydrophobicContact CZ3-CB 3.89Å; W100-F575 AromaticContact CZ3-CD1 3.71Å; W100-F575 HydrophobicContact CZ3-CD1 3.71Å; W100-F575 HydrophobicContact CZ3-CD2 4.12Å; W100-F575 HydrophobicContact CZ3-CE1 4.28Å; W100-F575 AromaticContact CZ3-CG 3.64Å; W100-F575 HydrophobicContact CZ3-CG 3.64Å; M132-F575 HydrophobicContact CG-CD1 3.67Å; M132-F575 HydrophobicContact CG-CE1 3.8Å; M132-F575 HydrophobicContact SD-CD1 3.89Å; M132-F575 HydrophobicContact SD-CE1 4.29Å; A540-F575 HydrophobicContact CB-CD2 4.41Å; I571-F575 HydrophobicContact CG2-CZ 4.15Å; M572-F575 WeakPolarHBondContact O-CB 3.39Å; M572-F575 PolarHBondContact O-N 2.88Å; V573-F575 PolarHBondContact O-N 3.31Å; F575-P577 VanDerWaalsContact C-N 3.31Å; F575-P577 WeakPolarHBondContact O-CD 3.38Å; F575-P577 VanDerWaalsContact O-N 3.07Å; F575-Y578 PolarHBondContact O-N 2.93Å; F575-V579 HydrophobicContact CB-CG1 4.16Å; F575-V579 HydrophobicContact CB-CG2 3.93Å; F575-V579 WeakPolarHBondContact O-CG2 3.46Å; F575-V579 PolarHBondContact O-N 2.8Å; F575-V579 VanDerWaalsContact O-N 3.12Å
576	K	87.6	Confident	89	Confident	116 Å²	116	44.5 Å²	44.5	50%	0.504	26%	0.257	S	S	.	.	H	α-helix	trans	-45.4	-41.3	-174.1	-174.5	179.6	179.5	179.7	0	114.9	M572 V573 Y578 G580	M572-K576 PolarHBondContact O-N 3.34Å; V573-K576 WeakPolarHBondContact O-CB 3.33Å; V573-K576 PolarHBondContact O-N 3.42Å; K576-Y578 PolarHBondContact O-N 3.35Å; K576-Y578 VanDerWaalsContact O-N 3.12Å; K576-G580 WeakPolarHBondContact O-CA 3.42Å; K576-G580 PolarHBondContact O-N 3.1Å
577	P	85.9	Confident	89.4	Confident	98 Å²	98	44.3 Å²	44.3	64%	0.636	25%	0.252	S	S	*	.	H	α-helix	trans	-58.7	-23.1	177	-25.4	36.5	0	0	0	114.6	L574 F575	L574-P577 WeakPolarHBondContact O-CD 3.31Å; F575-P577 VanDerWaalsContact C-N 3.31Å; F575-P577 WeakPolarHBondContact O-CD 3.38Å; F575-P577 VanDerWaalsContact O-N 3.07Å
578	Y	87.9	Confident	89.8	Confident	30 Å²	30	45.5 Å²	45.5	12%	0.118	25%	0.254	C	S	.	.	H	α-helix	trans	-113.3	-22.7	-171.8	-48.5	-67.5	0	0	0	113.9	G98 W100 I103 I126 I129 M132 F575 K576	G98-Y578 WeakPolarHBondContact O-CD1 3.39Å; W100-Y578 PolarHBondContact N-O 3.41Å; W100-Y578 VanDerWaalsContact N-O 3.12Å; I103-Y578 HydrophobicContact CD1-CD1 3.64Å; I103-Y578 HydrophobicContact CD1-CD2 3.48Å; I103-Y578 VanDerWaalsContact CD1-CD2 3.48Å; I103-Y578 HydrophobicContact CD1-CE1 4.08Å; I103-Y578 HydrophobicContact CD1-CE2 3.93Å; I103-Y578 HydrophobicContact CD1-CG 3.31Å; I126-Y578 HydrophobicContact CG2-CE1 3.76Å; I129-Y578 VanDerWaalsContact CA-OH 3.31Å; I129-Y578 WeakPolarHBondContact CA-OH 3.48Å; I129-Y578 PolarHBondContact N-OH 3.46Å; M132-Y578 HydrophobicContact CB-CE2 4.22Å; M132-Y578 HydrophobicContact SD-CD2 3.82Å; M132-Y578 HydrophobicContact SD-CE2 3.85Å; F575-Y578 PolarHBondContact O-N 2.93Å; K576-Y578 PolarHBondContact O-N 3.35Å; K576-Y578 VanDerWaalsContact O-N 3.12Å
579	V	88.5	Confident	90.1	Very high	19 Å²	19	45.5 Å²	45.5	12%	0.115	25%	0.254	C	S	.	.	H	α-helix	trans	-111.4	-13.9	-178.4	-59.2	0	0	0	0	113.6	W100 A540 L544 F575 L582	W100-V579 HydrophobicContact CB-CG1 3.55Å; W100-V579 HydrophobicContact CD2-CG1 3.34Å; W100-V579 HydrophobicContact CE3-CG1 3.43Å; W100-V579 VanDerWaalsContact CE3-CG1 3.43Å; W100-V579 HydrophobicContact CG-CG1 3.4Å; W100-V579 VanDerWaalsContact CG-CG1 3.4Å; W100-V579 HydrophobicContact CZ3-CG1 4.27Å; A540-V579 HydrophobicContact CB-CG1 4.29Å; L544-V579 HydrophobicContact CD1-CB 4.22Å; L544-V579 HydrophobicContact CD1-CG1 4.2Å; F575-V579 HydrophobicContact CB-CG1 4.16Å; F575-V579 HydrophobicContact CB-CG2 3.93Å; F575-V579 WeakPolarHBondContact O-CG2 3.46Å; F575-V579 PolarHBondContact O-N 2.8Å; F575-V579 VanDerWaalsContact O-N 3.12Å; V579-L582 HydrophobicContact CB-CD1 4.24Å; V579-L582 HydrophobicContact CB-CD2 4.17Å; V579-L582 HydrophobicContact CB-CG 4.16Å; V579-L582 HydrophobicContact CG2-CD1 3.65Å; V579-L582 HydrophobicContact CG2-CD2 4.14Å; V579-L582 HydrophobicContact CG2-CG 3.58Å
580	G	87.1	Confident	90.4	Very high	37 Å²	37	46.9 Å²	46.9	38%	0.381	26%	0.257	S	S	.	.			trans	77.3	-158.6	-168.2	0	0	0	0	0	113.1	K576 L582	K576-G580 WeakPolarHBondContact O-CA 3.42Å; K576-G580 PolarHBondContact O-N 3.1Å; G580-L582 PolarHBondContact O-N 3.32Å
581	N	89.2	Confident	90.6	Very high	93 Å²	93	44.6 Å²	44.6	50%	0.497	24%	0.24	S	C	.	.			trans	-85.7	93.2	-178	-173.1	9.4	0	0	0	111.6	G583 E584	N581-G583 PolarHBondContact O-N 3.17Å; N581-G583 PolarHBondContact OD1-N 2.92Å; N581-G583 VanDerWaalsContact OD1-N 3.12Å; N581-E584 WeakPolarHBondContact O-CG 3.24Å
582	L	92	Very high	90.3	Very high	9 Å²	9	45.7 Å²	45.7	5%	0.047	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-67.7	-19.2	175.7	-64.2	177.3	0	0	0	113.7	A540 L544 M572 V579 G580 E584 L585 Y586	A540-L582 HydrophobicContact CB-CD1 3.83Å; L544-L582 HydrophobicContact CD2-CD2 3.9Å; L544-L582 HydrophobicContact CG-CD2 4.03Å; M572-L582 HydrophobicContact CE-CB 3.87Å; M572-L582 HydrophobicContact CE-CD1 3.49Å; M572-L582 VanDerWaalsContact CE-CD1 3.49Å; M572-L582 HydrophobicContact CE-CG 4.33Å; V579-L582 HydrophobicContact CB-CD1 4.24Å; V579-L582 HydrophobicContact CB-CD2 4.17Å; V579-L582 HydrophobicContact CB-CG 4.16Å; V579-L582 HydrophobicContact CG2-CD1 3.65Å; V579-L582 HydrophobicContact CG2-CD2 4.14Å; V579-L582 HydrophobicContact CG2-CG 3.58Å; G580-L582 PolarHBondContact O-N 3.32Å; L582-E584 PolarHBondContact O-N 3.19Å; L582-E584 VanDerWaalsContact O-N 3.16Å; L582-L585 HydrophobicContact CD2-CD1 3.77Å; L582-L585 VanDerWaalsContact O-CB 3.31Å; L582-L585 WeakPolarHBondContact O-CB 3.49Å; L582-L585 PolarHBondContact O-N 2.93Å; L582-Y586 HydrophobicContact CB-CE1 4.37Å; L582-Y586 VanDerWaalsContact O-CD1 3.25Å; L582-Y586 WeakPolarHBondContact O-CD1 3.37Å; L582-Y586 WeakPolarHBondContact O-CE1 3.39Å
583	G	90.9	Very high	89.5	Confident	37 Å²	37	50.8 Å²	50.8	38%	0.381	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-63.9	-19.4	-176.4	0	0	0	0	0	114.2	N581 L585	N581-G583 PolarHBondContact O-N 3.17Å; N581-G583 PolarHBondContact OD1-N 2.92Å; N581-G583 VanDerWaalsContact OD1-N 3.12Å; G583-L585 VanDerWaalsContact C-N 3.27Å
584	E	93.2	Very high	88.7	Confident	104 Å²	104	56.7 Å²	56.7	49%	0.486	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-77.8	-13.7	174	77.7	-171.2	-166.1	0	0	113	K547 N581 L582	K547-E584 IonicContact NZ-OE1 2.69Å; K547-E584 PolarHBondContact NZ-OE1 3.48Å; N581-E584 WeakPolarHBondContact O-CG 3.24Å; L582-E584 PolarHBondContact O-N 3.19Å; L582-E584 VanDerWaalsContact O-N 3.16Å
585	L	96.4	Very high	88	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.016	29%	0.289	C	S	.	.	S	Bend	trans	-89.1	-11.8	-173.2	-56.2	-174.5	0	0	0	113.3	L543 L544 K547 Y557 P559 V560 L582 G583	L543-L585 HydrophobicContact CB-CD1 3.96Å; L543-L585 HydrophobicContact CD2-CB 4.4Å; L544-L585 HydrophobicContact CD2-CD1 4.42Å; K547-L585 HydrophobicContact CB-CD2 4.27Å; K547-L585 HydrophobicContact CD-CD2 3.62Å; K547-L585 HydrophobicContact CG-CD2 4.05Å; Y557-L585 HydrophobicContact CD1-CD2 4.44Å; Y557-L585 HydrophobicContact CE1-CB 4.31Å; Y557-L585 HydrophobicContact CE1-CD2 3.79Å; Y557-L585 WeakPolarHBondContact OH-CB 3.31Å; Y557-L585 PolarHBondContact OH-O 2.88Å; P559-L585 WeakPolarHBondContact CA-O 3.12Å; V560-L585 PolarHBondContact N-O 3.03Å; V560-L585 VanDerWaalsContact N-O 3.08Å; L582-L585 HydrophobicContact CD2-CD1 3.77Å; L582-L585 VanDerWaalsContact O-CB 3.31Å; L582-L585 WeakPolarHBondContact O-CB 3.49Å; L582-L585 PolarHBondContact O-N 2.93Å; G583-L585 VanDerWaalsContact C-N 3.27Å
586	Y	97.3	Very high	87.5	Confident	25 Å²	25	66.5 Å²	66.5	10%	0.098	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154.6	-176.1	61.9	-96.6	0	0	0	113.7	L543 V560 L562 M572 L582 H588	L543-Y586 HydrophobicContact CD1-CD1 3.91Å; L543-Y586 HydrophobicContact CD1-CE1 4.31Å; V560-Y586 CarbonylContact O-C 3.55Å; V560-Y586 WeakPolarHBondContact O-CA 3.4Å; V560-Y586 VanDerWaalsContact O-CB 3.28Å; V560-Y586 WeakPolarHBondContact O-CB 3.49Å; L562-Y586 HydrophobicContact CB-CD2 3.91Å; L562-Y586 HydrophobicContact CB-CG 4Å; L562-Y586 HydrophobicContact CD2-CD1 4.02Å; L562-Y586 HydrophobicContact CD2-CD2 3.72Å; L562-Y586 HydrophobicContact CD2-CE1 4.17Å; L562-Y586 HydrophobicContact CD2-CE2 3.9Å; L562-Y586 HydrophobicContact CD2-CG 3.79Å; L562-Y586 HydrophobicContact CG-CD2 4.42Å; M572-Y586 HydrophobicContact CE-CE1 3.81Å; M572-Y586 HydrophobicContact SD-CE1 4.32Å; L582-Y586 HydrophobicContact CB-CE1 4.37Å; L582-Y586 VanDerWaalsContact O-CD1 3.25Å; L582-Y586 WeakPolarHBondContact O-CD1 3.37Å; L582-Y586 WeakPolarHBondContact O-CE1 3.39Å; Y586-H588 HydrophobicContact CD2-CB 4.29Å; Y586-H588 HydrophobicContact CE2-CB 4.19Å
587	R	97.3	Very high	87.2	Confident	78 Å²	78	62.9 Å²	62.9	29%	0.294	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.1	168.1	-63.1	176.3	66.2	179.3	2.5	108.1	P559 V560 F561 L562 N604 D607	P559-R587 HydrophobicContact CB-CG 4.15Å; V560-R587 PolarHBondContact O-N 3.4Å; F561-R587 HydrophobicContact CD1-CB 3.99Å; F561-R587 HydrophobicContact CE1-CB 4.31Å; L562-R587 PolarHBondContact N-O 2.83Å; R587-N604 VanDerWaalsContact CZ-OD1 3.29Å; R587-N604 PolarHBondContact NE-OD1 3.21Å; R587-N604 PolarHBondContact NH2-OD1 3.48Å; R587-D607 IonicContact CZ-OD2 3.83Å; R587-D607 IonicContact NH1-OD2 3Å; R587-D607 PolarHBondContact NH1-OD2 3.4Å; R587-D607 IonicContact NH2-OD2 2.78Å; R587-D607 PolarHBondContact NH2-OD2 2.78Å
588	H	95.1	Very high	87.3	Confident	56 Å²	56	60 Å²	60	26%	0.259	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	142.2	-172.6	62.2	-94	0	0	0	112.6	L562 Y586 Y590 N604	L562-H588 WeakPolarHBondContact O-CA 3.44Å; Y586-H588 HydrophobicContact CD2-CB 4.29Å; Y586-H588 HydrophobicContact CE2-CB 4.19Å; H588-Y590 HydrophobicContact CB-CE1 4.05Å; H588-Y590 HydrophobicContact CB-CE2 4.44Å; H588-Y590 AromaticContact CD2-CD2 3.58Å; H588-Y590 AromaticContact CD2-CE2 3.11Å; H588-Y590 WeakPolarHBondContact CD2-CE2 3.48Å; H588-Y590 AromaticContact CD2-CZ 3.47Å; H588-Y590 VanDerWaalsContact CD2-CZ 3.47Å; H588-Y590 AromaticContact CG-CE2 3.82Å; H588-Y590 AromaticContact CG-CZ 3.68Å; H588-Y590 AromaticContact NE2-CE2 3.55Å; H588-N604 PolarHBondContact O-ND2 3.46Å
589	I	96.3	Very high	87.4	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	98.7	170	-59.4	163.7	0	0	0	106.3	F525 F561 L562 M563 C564 M597 N604 L605 A608	F525-I589 HydrophobicContact CE2-CD1 3.91Å; F561-I589 HydrophobicContact CB-CD1 4.18Å; F561-I589 HydrophobicContact CD1-CD1 4.36Å; L562-I589 PolarHBondContact O-N 3.47Å; M563-I589 VanDerWaalsContact CA-O 3.24Å; M563-I589 WeakPolarHBondContact CA-O 3.3Å; M563-I589 HydrophobicContact CB-CB 4.2Å; M563-I589 HydrophobicContact CE-CB 4.5Å; M563-I589 HydrophobicContact CE-CG2 3.69Å; M563-I589 HydrophobicContact CG-CB 4.43Å; M563-I589 HydrophobicContact CG-CG2 4.29Å; C564-I589 PolarHBondContact N-O 3.22Å; C564-I589 VanDerWaalsContact N-O 3.1Å; I589-M597 HydrophobicContact CG2-CE 3.26Å; I589-N604 HydrophobicContact CD1-CB 4.29Å; I589-N604 HydrophobicContact CG1-CB 3.63Å; I589-L605 HydrophobicContact CD1-CB 4.46Å; I589-L605 HydrophobicContact CG2-CB 4.22Å; I589-L605 HydrophobicContact CG2-CD1 4.4Å; I589-A608 HydrophobicContact CD1-CB 4.01Å
590	Y	94.1	Very high	87.6	Confident	55 Å²	55	64.6 Å²	64.6	22%	0.216	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	135	-176	-65	-52.7	0	0	0	111.3	C564 Q566 P569 H588 H592 M597 S601	C564-Y590 WeakPolarHBondContact O-CA 3.44Å; Q566-Y590 HydrophobicContact CG-CD1 4.24Å; Q566-Y590 HydrophobicContact CG-CG 3.99Å; P569-Y590 HydrophobicContact CG-CE1 3.65Å; P569-Y590 WeakPolarHBondContact CG-OH 3.43Å; H588-Y590 HydrophobicContact CB-CE1 4.05Å; H588-Y590 HydrophobicContact CB-CE2 4.44Å; H588-Y590 AromaticContact CD2-CD2 3.58Å; H588-Y590 AromaticContact CD2-CE2 3.11Å; H588-Y590 WeakPolarHBondContact CD2-CE2 3.48Å; H588-Y590 AromaticContact CD2-CZ 3.47Å; H588-Y590 VanDerWaalsContact CD2-CZ 3.47Å; H588-Y590 AromaticContact CG-CE2 3.82Å; H588-Y590 AromaticContact CG-CZ 3.68Å; H588-Y590 AromaticContact NE2-CE2 3.55Å; Y590-H592 PolarHBondContact O-CD2 3.33Å; Y590-H592 PolarHBondContact O-NE2 2.88Å; Y590-M597 WeakPolarHBondContact O-CE 3.32Å; Y590-S601 PolarHBondContact N-OG 3.08Å
591	T	90.4	Very high	87.9	Confident	6 Å²	6	63.1 Å²	63.1	4%	0.037	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	143.5	171.8	59.7	0	0	0	0	110.3	F527 M563 C564 P565 C619 H629	F527-T591 HydrophobicContact CE2-CG2 4.45Å; M563-T591 HydrophobicContact CG-CG2 3.62Å; M563-T591 HydrophobicContact SD-CG2 4.24Å; C564-T591 PolarHBondContact O-N 3.08Å; C564-T591 PolarHBondContact O-OG1 3.21Å; P565-T591 WeakPolarHBondContact CA-OG1 3.46Å; T591-C619 HydrophobicContact CG2-CB 4.29Å; T591-H629 VanDerWaalsContact CB-CE1 3.47Å; T591-H629 WeakPolarHBondContact CB-CE1 3.29Å; T591-H629 PolarHBondContact OG1-CE1 3.14Å; T591-H629 PolarHBondContact OG1-ND1 2.89Å
592	H	80.2	Confident	88	Confident	36 Å²	36	63.6 Å²	63.6	17%	0.167	33%	0.329	C	S	.	.			trans	-134.5	132.2	-176.8	-62.5	-100.1	0	0	0	110.7	Q566 Y590 K595	Q566-H592 PolarHBondContact NE2-CE1 2.95Å; Q566-H592 PolarHBondContact NE2-ND1 2.91Å; Q566-H592 VanDerWaalsContact NE2-ND1 3.13Å; Y590-H592 PolarHBondContact O-CD2 3.33Å; Y590-H592 PolarHBondContact O-NE2 2.88Å; H592-K595 WeakPolarHBondContact CB-O 3.38Å
593	R	71.6	Confident	88.3	Confident	118 Å²	118	66.9 Å²	66.9	45%	0.445	35%	0.35	S	S	.	.	S	Bend	trans	-80.6	-34.1	173.1	-74.1	-162.4	171.8	177.6	-0.2	114.7	P621 V622 H624 A628	R593-P621 HydrophobicContact CG-CB 4.18Å; R593-V622 PolarHBondContact NH2-O 3.3Å; R593-V622 VanDerWaalsContact NH2-O 3.11Å; R593-H624 PolarHBondContact NH2-O 3.22Å; R593-A628 VanDerWaalsContact NH2-N 3.17Å; R593-A628 PolarHBondContact NH2-O 3.24Å
594	R	68	Low	88.6	Confident	217 Å²	217	65.7 Å²	65.7	82%	0.819	33%	0.334	S	S	*	.	S	Bend	trans	-137.3	-17.7	-170.4	-68.3	-175.2	179.3	167.4	-0.1	114.8
595	K	71.8	Confident	88.7	Confident	122 Å²	122	62.2 Å²	62.2	53%	0.53	32%	0.319	S	S	.	.	S	Bend	trans	-97.7	146.6	-177.9	-68.7	-176.1	-178.2	175.8	0	109.1	H592	H592-K595 WeakPolarHBondContact CB-O 3.38Å
596	V	76	Confident	88.7	Confident	137 Å²	137	66.7 Å²	66.7	83%	0.83	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-62.3	142.1	168.1	-176	0	0	0	0	108.6	G598	V596-G598 PolarHBondContact O-N 3.31Å
597	M	82.7	Confident	88.8	Confident	41 Å²	41	68.1 Å²	68.1	20%	0.202	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-57.9	137	175.4	-66.8	179.8	97.6	0	0	110.4	I589 Y590 L605	I589-M597 HydrophobicContact CG2-CE 3.26Å; Y590-M597 WeakPolarHBondContact O-CE 3.32Å; M597-L605 HydrophobicContact CE-CD2 4.15Å; M597-L605 HydrophobicContact SD-CD2 3.79Å
598	G	86.4	Confident	88.8	Confident	38 Å²	38	64.4 Å²	64.4	39%	0.392	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-64.1	154.5	174.7	0	0	0	0	0	111.7	V596 S600 S601 L602	V596-G598 PolarHBondContact O-N 3.31Å; G598-S600 VanDerWaalsContact C-N 3.3Å; G598-S600 PolarHBondContact O-N 3.08Å; G598-S601 PolarHBondContact O-N 3.37Å; G598-L602 PolarHBondContact O-N 2.82Å
599	A	90.3	Very high	88.9	Confident	80 Å²	80	63.4 Å²	63.4	66%	0.661	33%	0.332	S	S	*	.	H	α-helix	trans	-51.9	-44.9	-175.4	0	0	0	0	0	113.2	S601 L602 T603	A599-S601 PolarHBondContact O-N 2.74Å; A599-L602 PolarHBondContact O-N 3.43Å; A599-T603 PolarHBondContact O-N 2.92Å; A599-T603 PolarHBondContact O-OG1 3.08Å
600	S	92.1	Very high	88.9	Confident	65 Å²	65	68 Å²	68	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-63.6	-38.6	177.3	-178.6	0	0	0	0	113.2	G598 L602 N604	G598-S600 VanDerWaalsContact C-N 3.3Å; G598-S600 PolarHBondContact O-N 3.08Å; S600-L602 VanDerWaalsContact C-N 3.34Å; S600-N604 WeakPolarHBondContact O-CB 3.36Å; S600-N604 PolarHBondContact O-N 3.39Å; S600-N604 PolarHBondContact O-ND2 3.14Å
601	S	93.5	Very high	89	Confident	5 Å²	5	67.5 Å²	67.5	4%	0.035	36%	0.363	C	S	.	.	H	α-helix	trans	-70.1	-34.1	176.4	-65.9	0	0	0	0	111.4	Y590 G598 A599 L605	Y590-S601 PolarHBondContact N-OG 3.08Å; G598-S601 PolarHBondContact O-N 3.37Å; A599-S601 PolarHBondContact O-N 2.74Å; S601-L605 WeakPolarHBondContact O-CB 3.36Å; S601-L605 PolarHBondContact O-N 2.86Å
602	L	93.2	Very high	89.4	Confident	103 Å²	103	67.5 Å²	67.5	54%	0.539	36%	0.363	S	S	.	.	H	α-helix	trans	-66.6	-44.7	175.4	-170.3	67.5	0	0	0	111.6	G598 A599 S600 L605 Q606	G598-L602 PolarHBondContact O-N 2.82Å; A599-L602 PolarHBondContact O-N 3.43Å; S600-L602 VanDerWaalsContact C-N 3.34Å; L602-L605 PolarHBondContact O-N 3.39Å; L602-Q606 PolarHBondContact O-N 3.37Å
603	T	96.5	Very high	90.1	Very high	78 Å²	78	74.2 Å²	74.2	48%	0.479	39%	0.387	S	S	.	.	H	α-helix	trans	-61.3	-48.4	173.5	-55.9	0	0	0	0	111.3	A599 L605 Q606 D607	A599-T603 PolarHBondContact O-N 2.92Å; A599-T603 PolarHBondContact O-OG1 3.08Å; T603-L605 VanDerWaalsContact C-N 3.26Å; T603-L605 PolarHBondContact O-N 2.89Å; T603-Q606 PolarHBondContact O-N 3.09Å; T603-D607 PolarHBondContact O-N 2.72Å
604	N	97.2	Very high	91.3	Very high	12 Å²	12	69.1 Å²	69.1	6%	0.064	37%	0.369	C	S	.	.	H	α-helix	trans	-62.7	-33.1	177.6	-70	-20.6	0	0	0	112.4	F561 R587 H588 I589 S600 A608	F561-N604 HydrophobicContact CD1-CB 4.49Å; F561-N604 WeakPolarHBondContact CD1-O 3.13Å; F561-N604 WeakPolarHBondContact CE1-O 3.4Å; R587-N604 VanDerWaalsContact CZ-OD1 3.29Å; R587-N604 PolarHBondContact NE-OD1 3.21Å; R587-N604 PolarHBondContact NH2-OD1 3.48Å; H588-N604 PolarHBondContact O-ND2 3.46Å; I589-N604 HydrophobicContact CD1-CB 4.29Å; I589-N604 HydrophobicContact CG1-CB 3.63Å; S600-N604 WeakPolarHBondContact O-CB 3.36Å; S600-N604 PolarHBondContact O-N 3.39Å; S600-N604 PolarHBondContact O-ND2 3.14Å; N604-A608 VanDerWaalsContact O-CB 3.27Å; N604-A608 WeakPolarHBondContact O-CB 3.34Å; N604-A608 PolarHBondContact O-N 2.84Å
605	L	96.5	Very high	92.7	Very high	31 Å²	31	64.2 Å²	64.2	16%	0.162	35%	0.353	C	S	.	.	H	α-helix	trans	-67.7	-42.7	175.7	178.4	64.6	0	0	0	111.7	M563 I589 M597 S601 L602 T603 A608 L609 L617	M563-L605 HydrophobicContact CE-CD1 3.67Å; I589-L605 HydrophobicContact CD1-CB 4.46Å; I589-L605 HydrophobicContact CG2-CB 4.22Å; I589-L605 HydrophobicContact CG2-CD1 4.4Å; M597-L605 HydrophobicContact CE-CD2 4.15Å; M597-L605 HydrophobicContact SD-CD2 3.79Å; S601-L605 WeakPolarHBondContact O-CB 3.36Å; S601-L605 PolarHBondContact O-N 2.86Å; L602-L605 PolarHBondContact O-N 3.39Å; T603-L605 VanDerWaalsContact C-N 3.26Å; T603-L605 PolarHBondContact O-N 2.89Å; L605-A608 PolarHBondContact O-N 3.43Å; L605-L609 PolarHBondContact O-N 3.41Å; L605-L617 HydrophobicContact CD1-CD2 3.77Å; L605-L617 HydrophobicContact CD1-CG 4.02Å
606	Q	96.7	Very high	94	Very high	97 Å²	97	61.9 Å²	61.9	45%	0.453	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-47.6	175.6	-174.3	58.3	50.4	0	0	110.9	L602 T603 A608 L609 D610	L602-Q606 PolarHBondContact O-N 3.37Å; T603-Q606 PolarHBondContact O-N 3.09Å; Q606-A608 PolarHBondContact O-N 3.34Å; Q606-L609 WeakPolarHBondContact O-CB 3.21Å; Q606-L609 PolarHBondContact O-N 3.02Å; Q606-L609 VanDerWaalsContact O-N 3.09Å; Q606-D610 PolarHBondContact NE2-OD1 2.97Å; Q606-D610 VanDerWaalsContact NE2-OD1 3.16Å; Q606-D610 PolarHBondContact NE2-OD2 3.05Å; Q606-D610 PolarHBondContact O-N 3.23Å
607	D	97.9	Very high	95	Very high	55 Å²	55	56.1 Å²	56.1	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-59.9	-36	176.3	-70.4	11.3	0	0	0	112	F561 R587 T603 A611	F561-D607 HydrophobicContact CE1-CB 3.74Å; F561-D607 HydrophobicContact CZ-CB 3.68Å; R587-D607 IonicContact CZ-OD2 3.83Å; R587-D607 IonicContact NH1-OD2 3Å; R587-D607 PolarHBondContact NH1-OD2 3.4Å; R587-D607 IonicContact NH2-OD2 2.78Å; R587-D607 PolarHBondContact NH2-OD2 2.78Å; T603-D607 PolarHBondContact O-N 2.72Å; D607-A611 WeakPolarHBondContact O-CB 3.29Å; D607-A611 PolarHBondContact O-N 2.92Å
608	A	97.7	Very high	95.6	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.9	-41.6	174.9	0	0	0	0	0	112.1	F525 F561 I589 N604 L605 Q606 D610 A611 L612 L617	F525-A608 HydrophobicContact CD2-CB 4.02Å; F525-A608 HydrophobicContact CE2-CB 4.23Å; F561-A608 HydrophobicContact CB-CB 4.02Å; F561-A608 HydrophobicContact CD1-CB 3.85Å; F561-A608 HydrophobicContact CD2-CB 3.86Å; F561-A608 HydrophobicContact CE1-CB 4.25Å; F561-A608 HydrophobicContact CE2-CB 4.27Å; F561-A608 HydrophobicContact CG-CB 3.64Å; F561-A608 HydrophobicContact CZ-CB 4.46Å; I589-A608 HydrophobicContact CD1-CB 4.01Å; N604-A608 VanDerWaalsContact O-CB 3.27Å; N604-A608 WeakPolarHBondContact O-CB 3.34Å; N604-A608 PolarHBondContact O-N 2.84Å; L605-A608 PolarHBondContact O-N 3.43Å; Q606-A608 PolarHBondContact O-N 3.34Å; A608-D610 VanDerWaalsContact C-N 3.3Å; A608-D610 PolarHBondContact O-N 3.26Å; A608-A611 PolarHBondContact O-N 3.43Å; A608-L612 VanDerWaalsContact O-CB 3.28Å; A608-L612 WeakPolarHBondContact O-CB 3.43Å; A608-L612 WeakPolarHBondContact O-CD1 3.4Å; A608-L612 WeakPolarHBondContact O-CG 3.4Å; A608-L612 PolarHBondContact O-N 2.92Å; A608-L617 HydrophobicContact CB-CD2 4.1Å
609	L	97.6	Very high	96	Very high	35 Å²	35	57.4 Å²	57.4	18%	0.183	30%	0.303	C	S	.	.	H	α-helix	trans	-58	-45.7	176	-168.8	78.5	0	0	0	110.6	L605 Q606 R613 L614 L617	L605-L609 PolarHBondContact O-N 3.41Å; Q606-L609 WeakPolarHBondContact O-CB 3.21Å; Q606-L609 PolarHBondContact O-N 3.02Å; Q606-L609 VanDerWaalsContact O-N 3.09Å; L609-R613 PolarHBondContact O-N 3.18Å; L609-L614 HydrophobicContact CD1-CB 3.91Å; L609-L614 WeakPolarHBondContact CD1-O 3.42Å; L609-L614 VanDerWaalsContact CG-O 3.26Å; L609-L614 WeakPolarHBondContact CG-O 3.2Å; L609-L614 PolarHBondContact O-N 3.13Å; L609-L617 HydrophobicContact CD1-CB 3.54Å
610	D	96.6	Very high	96.3	Very high	98 Å²	98	53.8 Å²	53.8	52%	0.524	27%	0.273	S	S	.	.	H	α-helix	trans	-69.3	-45.6	179.8	-63.1	-26.3	0	0	0	111.6	Q606 A608 L612 R613	Q606-D610 PolarHBondContact NE2-OD1 2.97Å; Q606-D610 VanDerWaalsContact NE2-OD1 3.16Å; Q606-D610 PolarHBondContact NE2-OD2 3.05Å; Q606-D610 PolarHBondContact O-N 3.23Å; A608-D610 VanDerWaalsContact C-N 3.3Å; A608-D610 PolarHBondContact O-N 3.26Å; D610-L612 VanDerWaalsContact C-N 3.31Å; D610-L612 PolarHBondContact O-N 3.24Å; D610-R613 PolarHBondContact O-N 2.89Å; D610-R613 VanDerWaalsContact O-N 3.14Å
611	A	96.5	Very high	96.4	Very high	43 Å²	43	52.9 Å²	52.9	36%	0.355	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-35.7	179.2	0	0	0	0	0	112.8	F561 D607 A608	F561-A611 HydrophobicContact CE2-CB 3.8Å; D607-A611 WeakPolarHBondContact O-CB 3.29Å; D607-A611 PolarHBondContact O-N 2.92Å; A608-A611 PolarHBondContact O-N 3.43Å
612	L	97.4	Very high	96.6	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-85	-9.5	177	-63.1	169.9	0	0	0	113.3	L489 K524 F525 A608 D610 L614 L617	L489-L612 HydrophobicContact CD1-CB 3.98Å; L489-L612 HydrophobicContact CD1-CD2 4.01Å; K524-L612 HydrophobicContact CB-CD2 3.9Å; F525-L612 HydrophobicContact CB-CD1 3.7Å; F525-L612 HydrophobicContact CB-CD2 3.89Å; F525-L612 HydrophobicContact CB-CG 4.25Å; F525-L612 HydrophobicContact CD2-CD1 4.07Å; F525-L612 HydrophobicContact CG-CD1 3.9Å; A608-L612 VanDerWaalsContact O-CB 3.28Å; A608-L612 WeakPolarHBondContact O-CB 3.43Å; A608-L612 WeakPolarHBondContact O-CD1 3.4Å; A608-L612 WeakPolarHBondContact O-CG 3.4Å; A608-L612 PolarHBondContact O-N 2.92Å; D610-L612 VanDerWaalsContact C-N 3.31Å; D610-L612 PolarHBondContact O-N 3.24Å; L612-L614 VanDerWaalsContact C-N 3.28Å; L612-L614 HydrophobicContact CB-CD1 3.84Å; L612-L614 HydrophobicContact CB-CG 3.76Å; L612-L614 HydrophobicContact CD1-CD1 3.75Å; L612-L614 HydrophobicContact CG-CD1 4.46Å; L612-L614 PolarHBondContact O-N 3.44Å; L612-L617 HydrophobicContact CD1-CD2 4.15Å
613	R	95.9	Very high	96.7	Very high	177 Å²	177	51.6 Å²	51.6	67%	0.668	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	41.1	-173.9	-53.4	179.9	-175.3	171.7	3.2	113.1	L609 D610	L609-R613 PolarHBondContact O-N 3.18Å; D610-R613 PolarHBondContact O-N 2.89Å; D610-R613 VanDerWaalsContact O-N 3.14Å
614	L	97.7	Very high	96.6	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.063	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.1	179.2	-67	175.7	0	0	0	110.8	L489 L609 L612 L617 I633 T635	L489-L614 HydrophobicContact CD1-CD1 4.43Å; L489-L614 HydrophobicContact CD1-CD2 3.98Å; L489-L614 HydrophobicContact CD1-CG 4.25Å; L489-L614 HydrophobicContact CD2-CD2 4.16Å; L609-L614 HydrophobicContact CD1-CB 3.91Å; L609-L614 WeakPolarHBondContact CD1-O 3.42Å; L609-L614 VanDerWaalsContact CG-O 3.26Å; L609-L614 WeakPolarHBondContact CG-O 3.2Å; L609-L614 PolarHBondContact O-N 3.13Å; L612-L614 VanDerWaalsContact C-N 3.28Å; L612-L614 HydrophobicContact CB-CD1 3.84Å; L612-L614 HydrophobicContact CB-CG 3.76Å; L612-L614 HydrophobicContact CD1-CD1 3.75Å; L612-L614 HydrophobicContact CG-CD1 4.46Å; L612-L614 PolarHBondContact O-N 3.44Å; L614-L617 HydrophobicContact CD1-CB 4.32Å; L614-L617 HydrophobicContact CD1-CD1 4.23Å; L614-I633 HydrophobicContact CD1-CB 4.13Å; L614-I633 HydrophobicContact CD1-CG2 3.85Å; L614-I633 HydrophobicContact CD2-CB 4.45Å; L614-T635 HydrophobicContact CD2-CG2 4.32Å
615	K	97.2	Very high	96	Very high	114 Å²	114	49.6 Å²	49.6	50%	0.496	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-29.9	167.5	-78.6	178.6	172.7	165.1	0	112	T634 D636 E638	K615-T634 HydrophobicContact CB-CG2 4.43Å; K615-T634 PolarHBondContact N-O 3.02Å; K615-D636 WeakPolarHBondContact CE-O 3.43Å; K615-D636 PolarHBondContact NZ-O 2.88Å; K615-E638 VanDerWaalsContact CD-OE1 3.24Å; K615-E638 WeakPolarHBondContact CD-OE1 2.99Å; K615-E638 WeakPolarHBondContact CE-OE1 3.35Å; K615-E638 IonicContact NZ-OE1 3.89Å; K615-E638 PolarHBondContact NZ-OE1 3Å
616	R	97.9	Very high	95.4	Very high	73 Å²	73	51.6 Å²	51.6	28%	0.275	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.9	180	-173.5	166.5	58.9	158.2	-1.8	110.3	Q618 V632 I633 T634 T640 A656	R616-Q618 HydrophobicContact CG-CB 4.33Å; R616-V632 VanDerWaalsContact CZ-CG1 3.44Å; R616-I633 CarbonylContact O-C 3.57Å; R616-I633 VanDerWaalsContact O-CA 3.23Å; R616-I633 WeakPolarHBondContact O-CA 3.38Å; R616-T634 PolarHBondContact N-O 2.76Å; R616-T634 PolarHBondContact NE-OG1 3.06Å; R616-T634 PolarHBondContact NH2-OG1 2.96Å; R616-T634 VanDerWaalsContact NH2-OG1 3.11Å; R616-T634 PolarHBondContact O-N 3.04Å; R616-T640 PolarHBondContact NH2-OG1 3.13Å; R616-A656 PolarHBondContact NH1-O 2.85Å
617	L	97.4	Very high	94.8	Very high	15 Å²	15	48.1 Å²	48.1	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	98.4	170.7	177.1	62.8	0	0	0	107.9	F525 L605 A608 L609 L612 L614 L631 I633	F525-L617 HydrophobicContact CD2-CD2 4.34Å; F525-L617 HydrophobicContact CE1-CD1 4.17Å; F525-L617 HydrophobicContact CE2-CD2 3.81Å; F525-L617 HydrophobicContact CZ-CD1 3.98Å; F525-L617 HydrophobicContact CZ-CD2 4.08Å; F525-L617 HydrophobicContact CZ-CG 4.44Å; L605-L617 HydrophobicContact CD1-CD2 3.77Å; L605-L617 HydrophobicContact CD1-CG 4.02Å; A608-L617 HydrophobicContact CB-CD2 4.1Å; L609-L617 HydrophobicContact CD1-CB 3.54Å; L612-L617 HydrophobicContact CD1-CD2 4.15Å; L614-L617 HydrophobicContact CD1-CB 4.32Å; L614-L617 HydrophobicContact CD1-CD1 4.23Å; L617-L631 HydrophobicContact CD1-CD1 3.84Å; L617-I633 HydrophobicContact CD1-CG2 3.67Å
618	Q	95.3	Very high	94.6	Very high	80 Å²	80	45.6 Å²	45.6	37%	0.374	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.1	-170.7	179.6	-178.5	-0.4	0	0	110.6	R616 V620 V632	R616-Q618 HydrophobicContact CG-CB 4.33Å; Q618-V620 HydrophobicContact CG-CG2 4.16Å; Q618-V632 HydrophobicContact CB-CB 4.37Å; Q618-V632 PolarHBondContact N-O 2.95Å; Q618-V632 PolarHBondContact O-N 3.33Å
619	C	95.1	Very high	94.6	Very high	26 Å²	26	45.7 Å²	45.7	18%	0.176	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	139.9	165.7	63.3	0	0	0	0	110.3	F527 M563 T591 H629 G630	F527-C619 HydrophobicContact CE2-CB 4.49Å; M563-C619 HydrophobicContact SD-CB 3.71Å; T591-C619 HydrophobicContact CG2-CB 4.29Å; C619-H629 HydrophobicContact CB-CB 4.43Å; C619-G630 CarbonylContact C-O 3.51Å; C619-G630 WeakPolarHBondContact CA-O 3.19Å
620	V	95.8	Very high	94.6	Very high	5 Å²	5	44 Å²	44	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.7	-175.9	-174.7	0	0	0	0	108.4	Q618 V622 H629 G630 V632 E652 L653 A656	Q618-V620 HydrophobicContact CG-CG2 4.16Å; V620-V622 WeakPolarHBondContact O-CG1 3.47Å; V620-V622 PolarHBondContact O-N 3.09Å; V620-H629 CarbonylContact O-C 3.54Å; V620-H629 WeakPolarHBondContact O-CA 3.4Å; V620-H629 WeakPolarHBondContact O-CB 3.26Å; V620-G630 PolarHBondContact N-O 3.47Å; V620-G630 PolarHBondContact O-N 3.33Å; V620-V632 HydrophobicContact CG2-CG2 3.93Å; V620-E652 HydrophobicContact CG1-CB 4.09Å; V620-L653 HydrophobicContact CB-CD1 4.25Å; V620-A656 HydrophobicContact CG1-CB 4.26Å; V620-A656 HydrophobicContact CG2-CB 3.53Å
621	P	95.6	Very high	94.7	Very high	45 Å²	45	39.6 Å²	39.6	29%	0.292	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	133.4	173.4	-26.3	36.1	0	0	0	111.5	R593	R593-P621 HydrophobicContact CG-CB 4.18Å
622	V	96.6	Very high	94.8	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.03	18%	0.184	C	C	.	.			trans	-124.2	167.5	179.8	-59.4	0	0	0	0	112.7	R593 V620 H624 A628 D646 T647 L653	R593-V622 PolarHBondContact NH2-O 3.3Å; R593-V622 VanDerWaalsContact NH2-O 3.11Å; V620-V622 WeakPolarHBondContact O-CG1 3.47Å; V620-V622 PolarHBondContact O-N 3.09Å; V622-H624 PolarHBondContact O-N 3.5Å; V622-H624 VanDerWaalsContact O-N 3.08Å; V622-A628 HydrophobicContact CG2-CB 3.74Å; V622-A628 PolarHBondContact N-O 3.39Å; V622-A628 VanDerWaalsContact N-O 3.1Å; V622-D646 WeakPolarHBondContact CG2-O 3.28Å; V622-T647 HydrophobicContact CB-CG2 4.4Å; V622-T647 WeakPolarHBondContact CB-OG1 3.42Å; V622-L653 HydrophobicContact CG1-CB 4.24Å; V622-L653 HydrophobicContact CG1-CD1 4.35Å; V622-L653 HydrophobicContact CG1-CD2 4.27Å
623	I	95.8	Very high	94.9	Very high	77 Å²	77	37.5 Å²	37.5	40%	0.395	18%	0.184	S	C	.	.	S	Bend	trans	-88.2	79.5	-171	-53.4	-179.2	0	0	0	109.9	T647 R648 P649 C650	I623-T647 PolarHBondContact N-OG1 2.92Å; I623-R648 HydrophobicContact CB-CB 3.97Å; I623-R648 HydrophobicContact CG2-CB 3.88Å; I623-R648 HydrophobicContact CG2-CG 4.17Å; I623-R648 PolarHBondContact O-N 2.9Å; I623-P649 WeakPolarHBondContact CD1-O 3.3Å; I623-C650 HydrophobicContact CD1-CB 4.43Å; I623-C650 HydrophobicContact CG1-CB 4.19Å
624	H	93.4	Very high	95	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.019	15%	0.154	C	C	.	.	S	Bend	trans	-154.4	159.3	175.1	-168.6	78.3	0	0	0	109.9	H530 H532 R593 V622 A628 D646 K681 H682	H530-H624 AromaticContact CD2-CD2 3.6Å; H530-H624 AromaticContact CD2-NE2 3.77Å; H530-H624 AromaticContact NE2-CD2 3.59Å; H530-H624 AromaticContact NE2-NE2 3.4Å; H530-H624 PolarHBondContact NE2-NE2 3.24Å; H532-H624 AromaticContact CE1-CE1 3.81Å; H532-H624 AromaticContact CE1-NE2 2.99Å; H532-H624 PolarHBondContact CE1-NE2 2.97Å; H532-H624 AromaticContact ND1-NE2 3.25Å; H532-H624 PolarHBondContact ND1-NE2 2.98Å; R593-H624 PolarHBondContact NH2-O 3.22Å; V622-H624 PolarHBondContact O-N 3.5Å; V622-H624 VanDerWaalsContact O-N 3.08Å; H624-A628 HydrophobicContact CB-CB 3.65Å; H624-D646 WeakPolarHBondContact CB-O 3.34Å; H624-K681 PolarHBondContact ND1-O 3.31Å; H624-H682 AromaticContact CE1-CE1 3.48Å; H624-H682 PolarHBondContact CE1-CE1 3.43Å; H624-H682 VanDerWaalsContact CE1-CE1 3.48Å; H624-H682 AromaticContact CE1-NE2 3.72Å
625	P	86.3	Confident	94.9	Very high	44 Å²	44	29.2 Å²	29.2	29%	0.286	15%	0.153	S	C	.	.	S	Bend	trans	-63.6	179.4	175.1	26.3	-38.7	0	0	0	114.2	G627 A628	P625-G627 VanDerWaalsContact C-N 3.28Å; P625-G627 PolarHBondContact O-N 2.97Å; P625-G627 VanDerWaalsContact O-N 3.07Å; P625-A628 PolarHBondContact O-N 2.82Å
626	M	83.3	Confident	94.6	Very high	73 Å²	73	28.2 Å²	28.2	36%	0.36	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	34.9	170.8	-45.2	-164.2	76.7	0	0	117	V139 M531 H532	V139-M626 HydrophobicContact CG1-CE 3.91Å; M531-M626 HydrophobicContact CB-CB 3.9Å; M531-M626 HydrophobicContact CB-CE 3.88Å; M531-M626 HydrophobicContact CB-SD 4.17Å; H532-M626 PolarHBondContact CD2-SD 2.83Å
627	G	84	Confident	94.2	Very high	24 Å²	24	30.2 Å²	30.2	25%	0.247	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	37.3	173	0	0	0	0	0	113.6	P625 H629	P625-G627 VanDerWaalsContact C-N 3.28Å; P625-G627 PolarHBondContact O-N 2.97Å; P625-G627 VanDerWaalsContact O-N 3.07Å; G627-H629 PolarHBondContact O-CE1 2.84Å; G627-H629 PolarHBondContact O-ND1 3.08Å
628	A	94.2	Very high	94	Very high	1 Å²	1	35 Å²	35	1%	0.008	19%	0.188	C	C	.	.			trans	-65.4	141.5	178.3	0	0	0	0	0	114.9	S529 H530 R593 V622 H624 P625	S529-A628 WeakPolarHBondContact O-CA 3.29Å; H530-A628 HydrophobicContact CB-CB 3.69Å; R593-A628 VanDerWaalsContact NH2-N 3.17Å; R593-A628 PolarHBondContact NH2-O 3.24Å; V622-A628 HydrophobicContact CG2-CB 3.74Å; V622-A628 PolarHBondContact N-O 3.39Å; V622-A628 VanDerWaalsContact N-O 3.1Å; H624-A628 HydrophobicContact CB-CB 3.65Å; P625-A628 PolarHBondContact O-N 2.82Å
629	H	97.2	Very high	94	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.4	175.1	-59.8	74.4	0	0	0	110.7	F527 S529 T591 C619 V620 G627	F527-H629 HydrophobicContact CE2-CB 4.45Å; F527-H629 HydrophobicContact CZ-CB 4.07Å; F527-H629 WeakPolarHBondContact CZ-O 3.3Å; S529-H629 PolarHBondContact O-N 3.27Å; T591-H629 VanDerWaalsContact CB-CE1 3.47Å; T591-H629 WeakPolarHBondContact CB-CE1 3.29Å; T591-H629 PolarHBondContact OG1-CE1 3.14Å; T591-H629 PolarHBondContact OG1-ND1 2.89Å; C619-H629 HydrophobicContact CB-CB 4.43Å; V620-H629 CarbonylContact O-C 3.54Å; V620-H629 WeakPolarHBondContact O-CA 3.4Å; V620-H629 WeakPolarHBondContact O-CB 3.26Å; G627-H629 PolarHBondContact O-CE1 2.84Å; G627-H629 PolarHBondContact O-ND1 3.08Å
630	G	98	Very high	94.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	170.8	160.3	0	0	0	0	0	111.1	C619 V620 Y643 S644	C619-G630 CarbonylContact C-O 3.51Å; C619-G630 WeakPolarHBondContact CA-O 3.19Å; V620-G630 PolarHBondContact N-O 3.47Å; V620-G630 PolarHBondContact O-N 3.33Å; G630-Y643 CarbonylContact C-O 3.57Å; G630-Y643 WeakPolarHBondContact CA-O 3.4Å; G630-S644 WeakPolarHBondContact CA-O 3.1Å
631	L	98.4	Very high	94.3	Very high	5 Å²	5	34 Å²	34	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.5	-179.2	-173.7	70.9	0	0	0	110	L495 F525 F527 M563 L617 I633 V642 Y643	L495-L631 HydrophobicContact CD1-CD2 4.49Å; F525-L631 HydrophobicContact CE1-CD2 4.4Å; F527-L631 HydrophobicContact CB-CD2 4.09Å; F527-L631 HydrophobicContact CD1-CB 3.86Å; F527-L631 HydrophobicContact CD1-CD2 4.13Å; F527-L631 HydrophobicContact CD1-CG 4.47Å; F527-L631 HydrophobicContact CD2-CD1 4.26Å; F527-L631 HydrophobicContact CE1-CB 3.72Å; F527-L631 HydrophobicContact CE2-CD1 4.46Å; F527-L631 HydrophobicContact CG-CB 4.32Å; F527-L631 HydrophobicContact CG-CD1 4.4Å; F527-L631 HydrophobicContact CG-CD2 4.08Å; F527-L631 HydrophobicContact CZ-CB 4.06Å; M563-L631 HydrophobicContact SD-CD1 4.2Å; L617-L631 HydrophobicContact CD1-CD1 3.84Å; L631-I633 HydrophobicContact CD2-CG2 4.22Å; L631-I633 HydrophobicContact CG-CG2 4.19Å; L631-V642 CarbonylContact O-C 3.44Å; L631-V642 WeakPolarHBondContact O-CA 3.36Å; L631-Y643 PolarHBondContact N-O 2.98Å; L631-Y643 PolarHBondContact O-N 2.74Å
632	V	98.6	Very high	94.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.6	172.1	-176.8	0	0	0	0	108.1	R616 Q618 V620 T640 V642 A656	R616-V632 VanDerWaalsContact CZ-CG1 3.44Å; Q618-V632 HydrophobicContact CB-CB 4.37Å; Q618-V632 PolarHBondContact N-O 2.95Å; Q618-V632 PolarHBondContact O-N 3.33Å; V620-V632 HydrophobicContact CG2-CG2 3.93Å; V632-T640 HydrophobicContact CG1-CG2 4.19Å; V632-V642 HydrophobicContact CG1-CG2 4.22Å; V632-V642 HydrophobicContact CG2-CG1 4.19Å; V632-V642 HydrophobicContact CG2-CG2 4.17Å; V632-A656 HydrophobicContact CG2-CB 4.18Å
633	I	98.4	Very high	94.5	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148.1	173.1	59	154.8	0	0	0	111.1	V487 L489 L495 L614 R616 L617 L631 T640 I641	V487-I633 HydrophobicContact CG1-CD1 4.43Å; L489-I633 HydrophobicContact CD2-CD1 4.13Å; L495-I633 HydrophobicContact CD2-CD1 4.14Å; L495-I633 HydrophobicContact CD2-CG2 4.22Å; L614-I633 HydrophobicContact CD1-CB 4.13Å; L614-I633 HydrophobicContact CD1-CG2 3.85Å; L614-I633 HydrophobicContact CD2-CB 4.45Å; R616-I633 CarbonylContact O-C 3.57Å; R616-I633 VanDerWaalsContact O-CA 3.23Å; R616-I633 WeakPolarHBondContact O-CA 3.38Å; L617-I633 HydrophobicContact CD1-CG2 3.67Å; L631-I633 HydrophobicContact CD2-CG2 4.22Å; L631-I633 HydrophobicContact CG-CG2 4.19Å; I633-T640 VanDerWaalsContact O-CA 3.29Å; I633-T640 WeakPolarHBondContact O-CA 3.34Å; I633-I641 HydrophobicContact CD1-CB 4.11Å; I633-I641 HydrophobicContact CD1-CD1 4.2Å; I633-I641 HydrophobicContact CG1-CB 3.83Å; I633-I641 PolarHBondContact N-O 3.01Å; I633-I641 PolarHBondContact O-N 2.84Å
634	T	98.2	Very high	94.6	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.043	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.1	169.1	-57	0	0	0	0	108.9	K615 R616 R639 T640	K615-T634 HydrophobicContact CB-CG2 4.43Å; K615-T634 PolarHBondContact N-O 3.02Å; R616-T634 PolarHBondContact N-O 2.76Å; R616-T634 PolarHBondContact NE-OG1 3.06Å; R616-T634 PolarHBondContact NH2-OG1 2.96Å; R616-T634 VanDerWaalsContact NH2-OG1 3.11Å; R616-T634 PolarHBondContact O-N 3.04Å; T634-R639 VanDerWaalsContact CA-O 3.32Å; T634-R639 WeakPolarHBondContact CA-O 3.23Å; T634-T640 PolarHBondContact OG1-OG1 3.41Å
635	T	95.5	Very high	94.8	Very high	8 Å²	8	28.3 Å²	28.3	5%	0.049	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	168.2	178.6	68.3	0	0	0	0	111.6	P464 L489 L614 Q637 E638 R639	P464-T635 HydrophobicContact CG-CG2 4.23Å; L489-T635 HydrophobicContact CD2-CG2 4.35Å; L614-T635 HydrophobicContact CD2-CG2 4.32Å; T635-Q637 PolarHBondContact O-N 2.7Å; T635-Q637 PolarHBondContact OG1-N 2.82Å; T635-E638 PolarHBondContact O-N 3.28Å; T635-R639 HydrophobicContact CG2-CB 4.38Å; T635-R639 PolarHBondContact N-O 3.44Å; T635-R639 WeakPolarHBondContact OG1-CB 3.17Å; T635-R639 PolarHBondContact OG1-N 3.43Å; T635-R639 VanDerWaalsContact OG1-N 3.16Å
636	D	91.3	Very high	95.3	Very high	93 Å²	93	26.3 Å²	26.3	50%	0.497	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33	170.3	58.7	-11.8	0	0	0	113.1	K615 E638	K615-D636 WeakPolarHBondContact CE-O 3.43Å; K615-D636 PolarHBondContact NZ-O 2.88Å; D636-E638 PolarHBondContact O-N 2.89Å
637	Q	90.1	Very high	96	Very high	116 Å²	116	22.8 Å²	22.8	54%	0.542	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	13.8	172.6	-60.4	177.1	9.1	0	0	114.3	T635 R639	T635-Q637 PolarHBondContact O-N 2.7Å; T635-Q637 PolarHBondContact OG1-N 2.82Å; Q637-R639 PolarHBondContact O-N 3.21Å
638	E	93.8	Very high	96.6	Very high	115 Å²	115	23.3 Å²	23.3	54%	0.537	11%	0.111	S	C	.	.			trans	62.2	19.9	178.7	-60.4	-68.6	168.9	0	0	114.8	K615 T635 D636	K615-E638 VanDerWaalsContact CD-OE1 3.24Å; K615-E638 WeakPolarHBondContact CD-OE1 2.99Å; K615-E638 WeakPolarHBondContact CE-OE1 3.35Å; K615-E638 IonicContact NZ-OE1 3.89Å; K615-E638 PolarHBondContact NZ-OE1 3Å; T635-E638 PolarHBondContact O-N 3.28Å; D636-E638 PolarHBondContact O-N 2.89Å
639	R	94.6	Very high	96.8	Very high	63 Å²	63	25.5 Å²	25.5	24%	0.238	13%	0.125	C	C	.	.			trans	-83.2	122.9	173.9	-60.6	-179.6	-176	-168	-3.3	109.6	D461 L463 T634 T635 Q637 D661	D461-R639 PolarHBondContact O-NH1 3.48Å; D461-R639 VanDerWaalsContact O-NH1 3.12Å; D461-R639 IonicContact OD1-CZ 3.88Å; D461-R639 IonicContact OD1-NH2 3.28Å; D461-R639 PolarHBondContact OD1-NH2 3.4Å; L463-R639 PolarHBondContact O-NH1 2.98Å; T634-R639 VanDerWaalsContact CA-O 3.32Å; T634-R639 WeakPolarHBondContact CA-O 3.23Å; T635-R639 HydrophobicContact CG2-CB 4.38Å; T635-R639 PolarHBondContact N-O 3.44Å; T635-R639 WeakPolarHBondContact OG1-CB 3.17Å; T635-R639 PolarHBondContact OG1-N 3.43Å; T635-R639 VanDerWaalsContact OG1-N 3.16Å; Q637-R639 PolarHBondContact O-N 3.21Å; R639-D661 WeakPolarHBondContact CA-OD2 3.47Å
640	T	98.2	Very high	96.8	Very high	15 Å²	15	25.4 Å²	25.4	9%	0.092	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.9	179.6	-67.9	0	0	0	0	111.9	R616 V632 I633 T634 V642 A660 D661 L662	R616-T640 PolarHBondContact NH2-OG1 3.13Å; V632-T640 HydrophobicContact CG1-CG2 4.19Å; I633-T640 VanDerWaalsContact O-CA 3.29Å; I633-T640 WeakPolarHBondContact O-CA 3.34Å; T634-T640 PolarHBondContact OG1-OG1 3.41Å; T640-V642 HydrophobicContact CG2-CG2 4.3Å; T640-A660 HydrophobicContact CG2-CB 3.83Å; T640-D661 PolarHBondContact N-OD2 3.11Å; T640-D661 PolarHBondContact O-N 3.33Å; T640-L662 PolarHBondContact O-N 2.99Å; T640-L662 VanDerWaalsContact O-N 3.16Å
641	I	98.4	Very high	96.8	Very high	13 Å²	13	31 Å²	31	7%	0.067	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.5	173.9	-56.2	170.9	0	0	0	108.9	P464 V487 I633 L662 I664	P464-I641 HydrophobicContact CB-CD1 4.13Å; P464-I641 HydrophobicContact CG-CD1 3.69Å; V487-I641 HydrophobicContact CG1-CD1 4.2Å; I633-I641 HydrophobicContact CD1-CB 4.11Å; I633-I641 HydrophobicContact CD1-CD1 4.2Å; I633-I641 HydrophobicContact CG1-CB 3.83Å; I633-I641 PolarHBondContact N-O 3.01Å; I633-I641 PolarHBondContact O-N 2.84Å; I641-L662 CarbonylContact C-O 3.5Å; I641-L662 WeakPolarHBondContact CA-O 3.44Å; I641-L662 HydrophobicContact CG1-CB 4.45Å; I641-I664 HydrophobicContact CG2-CD1 4.01Å
642	V	98.8	Very high	96.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.6	176.2	-177.3	0	0	0	0	109	L631 V632 T640 L653 A660 L662 L663 I664 M695	L631-V642 CarbonylContact O-C 3.44Å; L631-V642 WeakPolarHBondContact O-CA 3.36Å; V632-V642 HydrophobicContact CG1-CG2 4.22Å; V632-V642 HydrophobicContact CG2-CG1 4.19Å; V632-V642 HydrophobicContact CG2-CG2 4.17Å; T640-V642 HydrophobicContact CG2-CG2 4.3Å; V642-L653 HydrophobicContact CG1-CD1 3.81Å; V642-L653 HydrophobicContact CG1-CG 4.29Å; V642-A660 HydrophobicContact CG2-CB 3.66Å; V642-L662 PolarHBondContact N-O 3.27Å; V642-L663 HydrophobicContact CB-CD1 3.82Å; V642-L663 HydrophobicContact CG1-CD1 3.68Å; V642-I664 PolarHBondContact O-N 2.55Å; V642-M695 HydrophobicContact CB-SD 4.31Å; V642-M695 HydrophobicContact CG1-CE 4.06Å; V642-M695 HydrophobicContact CG1-SD 4.42Å; V642-M695 HydrophobicContact CG2-SD 4.01Å
643	Y	98.7	Very high	96.8	Very high	9 Å²	9	36.2 Å²	36.2	4%	0.035	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.6	170.8	177.8	-107.1	0	0	0	109	S483 L485 C497 D498 F527 G630 L631 G645 I664	S483-Y643 PolarHBondContact OG-OH 3.37Å; L485-Y643 HydrophobicContact CD2-CD2 3.89Å; L485-Y643 HydrophobicContact CD2-CE2 4.18Å; C497-Y643 HydrophobicContact CB-CD1 3.82Å; C497-Y643 HydrophobicContact CB-CD2 4.34Å; C497-Y643 HydrophobicContact CB-CE1 3.83Å; C497-Y643 HydrophobicContact CB-CE2 4.36Å; C497-Y643 HydrophobicContact CB-CG 4.08Å; D498-Y643 PolarHBondContact OD2-OH 2.85Å; F527-Y643 HydrophobicContact CD1-CD1 4.06Å; F527-Y643 HydrophobicContact CD1-CE1 4.39Å; F527-Y643 AromaticContact CE1-CD1 3.97Å; F527-Y643 HydrophobicContact CE1-CD1 3.97Å; F527-Y643 HydrophobicContact CE1-CE1 4.34Å; G630-Y643 CarbonylContact C-O 3.57Å; G630-Y643 WeakPolarHBondContact CA-O 3.4Å; L631-Y643 PolarHBondContact N-O 2.98Å; L631-Y643 PolarHBondContact O-N 2.74Å; Y643-G645 PolarHBondContact O-N 3.13Å; Y643-I664 HydrophobicContact CD2-CB 4.12Å; Y643-I664 HydrophobicContact CD2-CG2 3.83Å; Y643-I664 HydrophobicContact CE2-CG2 4.22Å
644	S	98.5	Very high	96.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	18%	0.176	C	C	.	.			trans	-71.2	-31.6	-171.6	66.9	0	0	0	0	114	G630 I664 H665 E666	G630-S644 WeakPolarHBondContact CA-O 3.1Å; S644-I664 PolarHBondContact N-O 2.78Å; S644-H665 WeakPolarHBondContact OG-CA 3.38Å; S644-E666 PolarHBondContact OG-N 2.89Å
645	G	96.9	Very high	96.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.01	20%	0.197	C	C	.	.			trans	56.6	-164.3	-153.8	0	0	0	0	0	111.1	Y643 E666	Y643-G645 PolarHBondContact O-N 3.13Å; G645-E666 WeakPolarHBondContact O-CG 3.19Å
646	D	96.5	Very high	96.9	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.2	C	C	.	.	S	Bend	trans	-78.6	129.4	176.6	-69.3	13.2	0	0	0	110.9	H530 H535 V622 H624 H682 H704	H530-D646 IonicContact CE1-OD1 3.87Å; H530-D646 IonicContact CE1-OD2 3.86Å; H530-D646 PolarHBondContact CE1-OD2 3.03Å; H530-D646 VanDerWaalsContact CE1-OD2 3.24Å; H530-D646 IonicContact NE2-OD2 2.71Å; H535-D646 IonicContact CE1-OD1 2.82Å; H535-D646 PolarHBondContact CE1-OD1 3.39Å; H535-D646 VanDerWaalsContact CE1-OD1 3.28Å; H535-D646 IonicContact CE1-OD2 3.45Å; H535-D646 IonicContact NE2-OD1 2.66Å; H535-D646 IonicContact NE2-OD2 2.85Å; H535-D646 PolarHBondContact NE2-OD2 3.47Å; V622-D646 WeakPolarHBondContact CG2-O 3.28Å; H624-D646 WeakPolarHBondContact CB-O 3.34Å; D646-H682 IonicContact OD2-CE1 3.02Å; D646-H682 PolarHBondContact OD2-CE1 2.89Å; D646-H682 IonicContact OD2-ND1 2.65Å; D646-H704 IonicContact OD1-CD2 3.69Å; D646-H704 IonicContact OD1-CE1 3.75Å; D646-H704 PolarHBondContact OD1-CE1 2.95Å; D646-H704 IonicContact OD1-CG 2.79Å; D646-H704 IonicContact OD1-ND1 3.03Å; D646-H704 IonicContact OD1-NE2 3.54Å; D646-H704 PolarHBondContact OD1-NE2 3.25Å; D646-H704 IonicContact OD2-CE1 3.58Å; D646-H704 PolarHBondContact OD2-CE1 3.49Å; D646-H704 IonicContact OD2-NE2 3.9Å; D646-H704 PolarHBondContact OD2-NE2 2.78Å
647	T	97.5	Very high	97.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.			trans	-167.2	150.2	-177.2	-169.5	0	0	0	0	113.9	V622 I623 L653 E666 C683	V622-T647 HydrophobicContact CB-CG2 4.4Å; V622-T647 WeakPolarHBondContact CB-OG1 3.42Å; I623-T647 PolarHBondContact N-OG1 2.92Å; T647-L653 HydrophobicContact CG2-CD2 4.49Å; T647-E666 PolarHBondContact N-OE1 2.93Å; T647-E666 VanDerWaalsContact O-OE1 3.11Å; T647-C683 PolarHBondContact O-N 2.8Å; T647-C683 PolarHBondContact O-SG 3.1Å
648	R	97.8	Very high	97.6	Very high	34 Å²	34	35.3 Å²	35.3	13%	0.128	18%	0.177	C	C	.	.	S	Bend	trans	-67.3	167.3	151.9	-66.3	-62.8	-62.5	157.5	3.3	111.1	I623 C650 C678 K681 H682 E687	I623-R648 HydrophobicContact CB-CB 3.97Å; I623-R648 HydrophobicContact CG2-CB 3.88Å; I623-R648 HydrophobicContact CG2-CG 4.17Å; I623-R648 PolarHBondContact O-N 2.9Å; R648-C650 PolarHBondContact O-N 3.36Å; R648-C650 VanDerWaalsContact O-N 3.1Å; R648-C678 PolarHBondContact NH2-SG 3.49Å; R648-K681 HydrophobicContact CG-CB 4.07Å; R648-K681 HydrophobicContact CG-CG 4.49Å; R648-H682 WeakPolarHBondContact CD-O 3.14Å; R648-H682 PolarHBondContact NH1-O 3.31Å; R648-E687 IonicContact CZ-OE1 3.42Å; R648-E687 IonicContact CZ-OE2 3.37Å; R648-E687 IonicContact NH1-OE1 2.64Å; R648-E687 PolarHBondContact NH1-OE1 3.32Å; R648-E687 IonicContact NH1-OE2 2.82Å; R648-E687 PolarHBondContact NH1-OE2 3.36Å; R648-E687 IonicContact NH2-OE1 2.65Å; R648-E687 PolarHBondContact NH2-OE1 3.22Å; R648-E687 IonicContact NH2-OE2 3.43Å; R648-E687 PolarHBondContact NH2-OE2 3.42Å
649	P	98	Very high	97.8	Very high	47 Å²	47	32.1 Å²	32.1	31%	0.305	18%	0.175	S	C	.	.			trans	-50.4	123.2	169.6	-28.8	38.8	0	0	0	110.9	I623 C683 E687 V691	I623-P649 WeakPolarHBondContact CD1-O 3.3Å; P649-C683 WeakPolarHBondContact CD-SG 3.49Å; P649-E687 HydrophobicContact CG-CB 3.9Å; P649-E687 HydrophobicContact CG-CG 4.29Å; P649-V691 HydrophobicContact CB-CG2 3.84Å; P649-V691 HydrophobicContact CG-CG2 4.3Å
650	C	97.7	Very high	97.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	16%	0.164	C	C	.	.			trans	-126.4	115.2	-168.3	-179.3	0	0	0	0	110.2	I623 R648 E652 L653 I654	I623-C650 HydrophobicContact CD1-CB 4.43Å; I623-C650 HydrophobicContact CG1-CB 4.19Å; R648-C650 PolarHBondContact O-N 3.36Å; R648-C650 VanDerWaalsContact O-N 3.1Å; C650-E652 VanDerWaalsContact C-N 3.32Å; C650-E652 PolarHBondContact O-N 2.94Å; C650-E652 PolarHBondContact SG-OE2 2.71Å; C650-L653 HydrophobicContact CB-CB 3.97Å; C650-L653 PolarHBondContact O-N 3.21Å; C650-I654 WeakPolarHBondContact O-CG1 3.46Å; C650-I654 PolarHBondContact O-N 3.23Å; C650-I654 VanDerWaalsContact O-N 3.09Å
651	Q	97.9	Very high	97.9	Very high	117 Å²	117	31 Å²	31	55%	0.547	17%	0.173	S	C	.	.	H	α-helix	trans	-68.8	-32.9	-176	-172	58.6	47.4	0	0	112.1	L653 I654 S655	Q651-L653 VanDerWaalsContact C-N 3.33Å; Q651-I654 PolarHBondContact O-N 3.08Å; Q651-S655 PolarHBondContact NE2-OG 3.06Å; Q651-S655 WeakPolarHBondContact O-CB 3.4Å; Q651-S655 PolarHBondContact O-N 3.35Å; Q651-S655 PolarHBondContact O-OG 2.65Å
652	E	96.9	Very high	97.8	Very high	114 Å²	114	31.9 Å²	31.9	53%	0.533	18%	0.178	S	C	.	.	H	α-helix	trans	-63.8	-40.2	176.4	-66.4	80.5	173.6	0	0	110.9	V620 C650 S655 A656	V620-E652 HydrophobicContact CG1-CB 4.09Å; C650-E652 VanDerWaalsContact C-N 3.32Å; C650-E652 PolarHBondContact O-N 2.94Å; C650-E652 PolarHBondContact SG-OE2 2.71Å; E652-S655 PolarHBondContact O-N 3.48Å; E652-A656 WeakPolarHBondContact O-CB 3.44Å; E652-A656 PolarHBondContact O-N 3.11Å
653	L	98.3	Very high	97.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.7	-46.3	174.6	-174.1	67	0	0	0	111.4	V620 V622 V642 T647 C650 Q651 S655 A656 G657 M695	V620-L653 HydrophobicContact CB-CD1 4.25Å; V622-L653 HydrophobicContact CG1-CB 4.24Å; V622-L653 HydrophobicContact CG1-CD1 4.35Å; V622-L653 HydrophobicContact CG1-CD2 4.27Å; V642-L653 HydrophobicContact CG1-CD1 3.81Å; V642-L653 HydrophobicContact CG1-CG 4.29Å; T647-L653 HydrophobicContact CG2-CD2 4.49Å; C650-L653 HydrophobicContact CB-CB 3.97Å; C650-L653 PolarHBondContact O-N 3.21Å; Q651-L653 VanDerWaalsContact C-N 3.33Å; L653-S655 VanDerWaalsContact C-N 3.3Å; L653-S655 PolarHBondContact O-N 2.65Å; L653-A656 PolarHBondContact O-N 2.71Å; L653-G657 PolarHBondContact O-N 3.45Å; L653-M695 HydrophobicContact CG-CE 4.23Å; L653-M695 WeakPolarHBondContact O-CE 3.22Å
654	I	98.6	Very high	97.8	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.051	18%	0.176	C	C	.	.	H	α-helix	trans	-54.5	-48.9	175.1	-70.1	167.1	0	0	0	110.3	C650 Q651 G657 Q658 V691 M695	C650-I654 WeakPolarHBondContact O-CG1 3.46Å; C650-I654 PolarHBondContact O-N 3.23Å; C650-I654 VanDerWaalsContact O-N 3.09Å; Q651-I654 PolarHBondContact O-N 3.08Å; I654-G657 CarbonylContact O-C 3.53Å; I654-G657 PolarHBondContact O-N 2.66Å; I654-Q658 PolarHBondContact O-N 2.87Å; I654-Q658 VanDerWaalsContact O-N 3.08Å; I654-V691 HydrophobicContact CD1-CG1 4.28Å; I654-V691 HydrophobicContact CD1-CG2 4.48Å; I654-V691 HydrophobicContact CG1-CG1 3.84Å; I654-M695 HydrophobicContact CG2-CB 4.42Å
655	S	98.4	Very high	97.8	Very high	69 Å²	69	31.4 Å²	31.4	48%	0.483	18%	0.176	S	C	.	.	H	α-helix	trans	-67.8	-39.3	-176.5	-51	0	0	0	0	112.2	Q651 E652 L653	Q651-S655 PolarHBondContact NE2-OG 3.06Å; Q651-S655 WeakPolarHBondContact O-CB 3.4Å; Q651-S655 PolarHBondContact O-N 3.35Å; Q651-S655 PolarHBondContact O-OG 2.65Å; E652-S655 PolarHBondContact O-N 3.48Å; L653-S655 VanDerWaalsContact C-N 3.3Å; L653-S655 PolarHBondContact O-N 2.65Å
656	A	97.8	Very high	97.8	Very high	15 Å²	15	31.4 Å²	31.4	12%	0.124	18%	0.176	C	C	.	.	H	α-helix	trans	-70.6	-33.2	177.6	0	0	0	0	0	112.9	R616 V620 V632 E652 L653	R616-A656 PolarHBondContact NH1-O 2.85Å; V620-A656 HydrophobicContact CG1-CB 4.26Å; V620-A656 HydrophobicContact CG2-CB 3.53Å; V632-A656 HydrophobicContact CG2-CB 4.18Å; E652-A656 WeakPolarHBondContact O-CB 3.44Å; E652-A656 PolarHBondContact O-N 3.11Å; L653-A656 PolarHBondContact O-N 2.71Å
657	G	97.9	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	8.4	-179.4	0	0	0	0	0	115.2	L653 I654 G659 A660 M695	L653-G657 PolarHBondContact O-N 3.45Å; I654-G657 CarbonylContact O-C 3.53Å; I654-G657 PolarHBondContact O-N 2.66Å; G657-G659 PolarHBondContact O-N 2.97Å; G657-A660 VanDerWaalsContact O-CB 3.22Å; G657-A660 WeakPolarHBondContact O-CB 3.47Å; G657-A660 PolarHBondContact O-N 3.03Å; G657-M695 WeakPolarHBondContact O-CG 3.29Å
658	Q	98.2	Very high	97.4	Very high	117 Å²	117	31.5 Å²	31.5	55%	0.547	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	125.7	-172.8	-170.6	69.4	45.9	0	0	112.1	I654 M695	I654-Q658 PolarHBondContact O-N 2.87Å; I654-Q658 VanDerWaalsContact O-N 3.08Å; Q658-M695 WeakPolarHBondContact CA-O 3.32Å; Q658-M695 PolarHBondContact NE2-O 3.44Å
659	G	97.4	Very high	97	Very high	48 Å²	48	30.1 Å²	30.1	50%	0.495	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	21.3	-179.4	0	0	0	0	0	114.7	G657 M695	G657-G659 PolarHBondContact O-N 2.97Å; G659-M695 PolarHBondContact N-O 3.39Å
660	A	97.9	Very high	96.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.008	17%	0.165	C	C	.	.			trans	-56	142	178	0	0	0	0	0	112.8	T640 V642 G657 L662 M695 A697 R698	T640-A660 HydrophobicContact CG2-CB 3.83Å; V642-A660 HydrophobicContact CG2-CB 3.66Å; G657-A660 VanDerWaalsContact O-CB 3.22Å; G657-A660 WeakPolarHBondContact O-CB 3.47Å; G657-A660 PolarHBondContact O-N 3.03Å; A660-L662 VanDerWaalsContact C-N 3.31Å; A660-M695 HydrophobicContact CB-SD 4.07Å; A660-A697 CarbonylContact O-C 3.54Å; A660-A697 WeakPolarHBondContact O-CA 3.47Å; A660-R698 PolarHBondContact O-N 2.86Å
661	D	96.9	Very high	96.1	Very high	54 Å²	54	32.2 Å²	32.2	29%	0.289	18%	0.179	S	C	.	.	S	Bend	trans	-67.7	-37.2	171.2	-64	-82.8	0	0	0	111.3	R639 T640 R698 F699	R639-D661 WeakPolarHBondContact CA-OD2 3.47Å; T640-D661 PolarHBondContact N-OD2 3.11Å; T640-D661 PolarHBondContact O-N 3.33Å; D661-R698 WeakPolarHBondContact O-CB 3.42Å; D661-F699 PolarHBondContact O-N 3.44Å; D661-F699 VanDerWaalsContact O-N 3.14Å
662	L	97.2	Very high	95.6	Very high	31 Å²	31	32.3 Å²	32.3	16%	0.162	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	123.8	179.4	-177.7	64	0	0	0	111.6	L466 T640 I641 V642 A660 I664 F699 L701	L466-L662 HydrophobicContact CD1-CD2 3.45Å; L466-L662 VanDerWaalsContact CD1-CD2 3.45Å; L466-L662 HydrophobicContact CG-CD2 4.49Å; T640-L662 PolarHBondContact O-N 2.99Å; T640-L662 VanDerWaalsContact O-N 3.16Å; I641-L662 CarbonylContact C-O 3.5Å; I641-L662 WeakPolarHBondContact CA-O 3.44Å; I641-L662 HydrophobicContact CG1-CB 4.45Å; V642-L662 PolarHBondContact N-O 3.27Å; A660-L662 VanDerWaalsContact C-N 3.31Å; L662-I664 HydrophobicContact CD2-CD1 4.3Å; L662-I664 HydrophobicContact CD2-CG1 4.14Å; L662-I664 HydrophobicContact CG-CG1 4.12Å; L662-F699 HydrophobicContact CD1-CB 3.78Å; L662-L701 HydrophobicContact CD1-CB 4.11Å
663	L	98.6	Very high	95.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.4	165.7	171.3	63	0	0	0	109.6	V642 H665 V691 M695 A697 F699 T700 L701	V642-L663 HydrophobicContact CB-CD1 3.82Å; V642-L663 HydrophobicContact CG1-CD1 3.68Å; L663-H665 HydrophobicContact CD1-CB 4.35Å; L663-H665 HydrophobicContact CD2-CB 4.21Å; L663-H665 HydrophobicContact CG-CB 4.05Å; L663-V691 HydrophobicContact CD2-CG1 4.09Å; L663-M695 HydrophobicContact CB-SD 4.11Å; L663-M695 HydrophobicContact CD1-CE 3.89Å; L663-M695 HydrophobicContact CD1-SD 3.97Å; L663-M695 HydrophobicContact CD2-CE 4.27Å; L663-M695 HydrophobicContact CD2-SD 4.11Å; L663-M695 HydrophobicContact CG-SD 4.28Å; L663-A697 HydrophobicContact CB-CB 3.76Å; L663-F699 PolarHBondContact N-O 3.08Å; L663-T700 HydrophobicContact CD2-CG2 4.23Å; L663-T700 HydrophobicContact CG-CG2 4.49Å; L663-T700 CarbonylContact O-C 3.45Å; L663-T700 WeakPolarHBondContact O-CA 3.24Å; L663-L701 PolarHBondContact O-N 3.01Å
664	I	98.4	Very high	94.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	108.7	169.5	-54.5	170.2	0	0	0	107.1	L466 F468 L485 I641 V642 Y643 S644 L662 L701 T703	L466-I664 HydrophobicContact CD1-CD1 3.68Å; L466-I664 HydrophobicContact CD1-CG1 4.41Å; L466-I664 HydrophobicContact CD2-CD1 4.25Å; F468-I664 HydrophobicContact CE1-CG2 4.4Å; F468-I664 HydrophobicContact CZ-CG2 4.41Å; L485-I664 HydrophobicContact CD2-CD1 3.48Å; L485-I664 VanDerWaalsContact CD2-CD1 3.48Å; L485-I664 HydrophobicContact CD2-CG2 4.3Å; I641-I664 HydrophobicContact CG2-CD1 4.01Å; V642-I664 PolarHBondContact O-N 2.55Å; Y643-I664 HydrophobicContact CD2-CB 4.12Å; Y643-I664 HydrophobicContact CD2-CG2 3.83Å; Y643-I664 HydrophobicContact CE2-CG2 4.22Å; S644-I664 PolarHBondContact N-O 2.78Å; L662-I664 HydrophobicContact CD2-CD1 4.3Å; L662-I664 HydrophobicContact CD2-CG1 4.14Å; L662-I664 HydrophobicContact CG-CG1 4.12Å; I664-L701 CarbonylContact C-O 3.43Å; I664-L701 VanDerWaalsContact CA-O 3.29Å; I664-L701 WeakPolarHBondContact CA-O 3.4Å; I664-L701 HydrophobicContact CG2-CD2 4.32Å; I664-T703 HydrophobicContact CG2-CG2 3.86Å
665	H	98.2	Very high	94.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.6	-170.4	-156.1	-67.1	0	0	0	112.7	S644 L663 C683 A688 L701 L702 T703	S644-H665 WeakPolarHBondContact OG-CA 3.38Å; L663-H665 HydrophobicContact CD1-CB 4.35Å; L663-H665 HydrophobicContact CD2-CB 4.21Å; L663-H665 HydrophobicContact CG-CB 4.05Å; H665-C683 VanDerWaalsContact CE1-SG 3.53Å; H665-A688 HydrophobicContact CB-CB 4.32Å; H665-L701 PolarHBondContact N-O 3.26Å; H665-L702 CarbonylContact O-C 3.51Å; H665-L702 WeakPolarHBondContact O-CA 3.42Å; H665-T703 PolarHBondContact O-N 2.81Å
666	E	96.8	Very high	94	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	139.3	170.5	76.4	114.6	126.7	0	0	111.8	S644 G645 T647 T668 H682 C683 A688 T703 H704	S644-E666 PolarHBondContact OG-N 2.89Å; G645-E666 WeakPolarHBondContact O-CG 3.19Å; T647-E666 PolarHBondContact N-OE1 2.93Å; T647-E666 VanDerWaalsContact O-OE1 3.11Å; E666-T668 WeakPolarHBondContact OE2-CB 3.46Å; E666-T668 PolarHBondContact OE2-N 2.79Å; E666-T668 PolarHBondContact OE2-OG1 3.49Å; E666-H682 VanDerWaalsContact OE1-CA 3.26Å; E666-H682 WeakPolarHBondContact OE1-CA 3.22Å; E666-H682 WeakPolarHBondContact OE1-CB 3.48Å; E666-H682 IonicContact OE1-CG 2.64Å; E666-H682 IonicContact OE1-ND1 3.27Å; E666-H682 PolarHBondContact OE1-ND1 3.04Å; E666-H682 IonicContact OE2-ND1 3.43Å; E666-C683 PolarHBondContact OE1-N 2.84Å; E666-C683 PolarHBondContact OE2-N 2.52Å; E666-A688 WeakPolarHBondContact O-CB 3.4Å; E666-T703 CarbonylContact C-O 3.57Å; E666-T703 WeakPolarHBondContact CA-O 3.47Å; E666-H704 HydrophobicContact CB-CB 3.85Å
667	A	94.6	Very high	93.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.			trans	-139.2	55.7	-179.9	0	0	0	0	0	110.1	M669 I685 A688 L702 T703 F705	A667-M669 VanDerWaalsContact C-N 3.31Å; A667-M669 PolarHBondContact O-N 3.04Å; A667-I685 HydrophobicContact CB-CG1 4.26Å; A667-A688 HydrophobicContact CB-CB 4.24Å; A667-L702 HydrophobicContact CB-CB 3.95Å; A667-L702 HydrophobicContact CB-CD1 4.27Å; A667-L702 HydrophobicContact CB-CD2 4.25Å; A667-L702 HydrophobicContact CB-CG 4.38Å; A667-T703 PolarHBondContact N-O 3.11Å; A667-F705 HydrophobicContact CB-CD1 4.35Å; A667-F705 HydrophobicContact CB-CE1 3.96Å
668	T	91.8	Very high	93.3	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	22%	0.22	C	C	.	.			trans	-59.4	-37.5	-168.4	-53.3	0	0	0	0	113.6	E666 H682 C683 H704 S706 Y709	E666-T668 WeakPolarHBondContact OE2-CB 3.46Å; E666-T668 PolarHBondContact OE2-N 2.79Å; E666-T668 PolarHBondContact OE2-OG1 3.49Å; T668-H682 HydrophobicContact CG2-CB 4.31Å; T668-H682 PolarHBondContact OG1-ND1 3.01Å; T668-C683 PolarHBondContact N-O 2.88Å; T668-H704 WeakPolarHBondContact CA-O 3.46Å; T668-H704 PolarHBondContact N-O 2.9Å; T668-H704 PolarHBondContact OG1-ND1 2.79Å; T668-H704 PolarHBondContact OG1-O 2.61Å; T668-S706 WeakPolarHBondContact O-CB 3.41Å; T668-S706 PolarHBondContact O-N 3Å; T668-S706 VanDerWaalsContact O-N 3.11Å; T668-Y709 WeakPolarHBondContact O-CE2 3.18Å
669	M	89.2	Confident	92.9	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.02	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-122.1	149.4	-171.1	-60.7	-66.9	-177.5	0	0	113.4	A667 L673 E676 A677 K680 C683 T684 I685	A667-M669 VanDerWaalsContact C-N 3.31Å; A667-M669 PolarHBondContact O-N 3.04Å; M669-L673 HydrophobicContact CB-CB 4.17Å; M669-L673 HydrophobicContact SD-CD1 4.19Å; M669-E676 HydrophobicContact CE-CG 4.04Å; M669-A677 HydrophobicContact CB-CB 3.91Å; M669-A677 HydrophobicContact CG-CB 3.87Å; M669-K680 HydrophobicContact CE-CD 4.06Å; M669-C683 PolarHBondContact N-O 2.89Å; M669-T684 CarbonylContact O-C 3.56Å; M669-T684 WeakPolarHBondContact O-CA 3.34Å; M669-T684 WeakPolarHBondContact O-CB 3.47Å; M669-I685 PolarHBondContact O-N 2.93Å
670	E	88	Confident	92.4	Very high	36 Å²	36	42.8 Å²	42.8	17%	0.168	22%	0.219	C	C	.	.			trans	-70.1	157.2	165.1	-80.5	173.7	-167	0	0	111.1	N672 L673 I685 Y709	E670-N672 WeakPolarHBondContact CB-OD1 3.04Å; E670-N672 PolarHBondContact O-N 3.44Å; E670-N672 VanDerWaalsContact O-N 3.13Å; E670-N672 PolarHBondContact OE2-ND2 2.84Å; E670-N672 VanDerWaalsContact OE2-ND2 3.15Å; E670-N672 PolarHBondContact OE2-OD1 2.83Å; E670-L673 WeakPolarHBondContact O-CB 3.42Å; E670-L673 PolarHBondContact O-N 2.82Å; E670-I685 HydrophobicContact CG-CD1 4.12Å; E670-Y709 WeakPolarHBondContact CB-OH 3.07Å; E670-Y709 VanDerWaalsContact CD-CE1 3.44Å; E670-Y709 HydrophobicContact CG-CE1 3.71Å; E670-Y709 WeakPolarHBondContact CG-OH 3.16Å; E670-Y709 PolarHBondContact N-OH 3.22Å; E670-Y709 WeakPolarHBondContact OE1-CE1 3.33Å
671	D	88.6	Confident	92.2	Very high	56 Å²	56	47.3 Å²	47.3	30%	0.299	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-59.4	-28.4	-177.8	-68.7	-12.2	0	0	0	113.9	L673 N674 T684 S686 K718	D671-L673 PolarHBondContact O-N 2.98Å; D671-N674 PolarHBondContact O-N 3.12Å; D671-T684 WeakPolarHBondContact OD1-CB 3.44Å; D671-T684 PolarHBondContact OD1-OG1 3.2Å; D671-S686 WeakPolarHBondContact OD1-CB 3.36Å; D671-S686 PolarHBondContact OD1-N 2.78Å; D671-S686 PolarHBondContact OD1-OG 2.9Å; D671-S686 WeakPolarHBondContact OD2-CB 3.1Å; D671-S686 PolarHBondContact OD2-OG 3.13Å; D671-K718 IonicContact OD2-NZ 2.76Å; D671-K718 PolarHBondContact OD2-NZ 2.68Å; D671-K718 VanDerWaalsContact OD2-NZ 3.16Å
672	N	87.4	Confident	92.1	Very high	120 Å²	120	45.3 Å²	45.3	64%	0.642	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-69.7	-10.2	176.1	62.4	2.1	0	0	0	113.5	E670	E670-N672 WeakPolarHBondContact CB-OD1 3.04Å; E670-N672 PolarHBondContact O-N 3.44Å; E670-N672 VanDerWaalsContact O-N 3.13Å; E670-N672 PolarHBondContact OE2-ND2 2.84Å; E670-N672 VanDerWaalsContact OE2-ND2 3.15Å; E670-N672 PolarHBondContact OE2-OD1 2.83Å
673	L	88.1	Confident	92.1	Very high	44 Å²	44	43.8 Å²	43.8	23%	0.23	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-112.7	21.3	-179.6	-68.3	169.2	0	0	0	112.2	M669 E670 D671 E675 E676 A677 R708	M669-L673 HydrophobicContact CB-CB 4.17Å; M669-L673 HydrophobicContact SD-CD1 4.19Å; E670-L673 WeakPolarHBondContact O-CB 3.42Å; E670-L673 PolarHBondContact O-N 2.82Å; D671-L673 PolarHBondContact O-N 2.98Å; L673-E675 PolarHBondContact O-N 2.55Å; L673-E675 VanDerWaalsContact O-N 3.15Å; L673-E676 HydrophobicContact CB-CB 4.46Å; L673-E676 WeakPolarHBondContact O-CA 3.31Å; L673-E676 WeakPolarHBondContact O-CB 3.34Å; L673-E676 PolarHBondContact O-N 2.7Å; L673-A677 PolarHBondContact O-N 2.83Å; L673-R708 VanDerWaalsContact CD1-NH1 3.28Å
674	N	90.6	Very high	91.9	Very high	68 Å²	68	44 Å²	44	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-52.7	-38	-179.3	-175.3	34	0	0	0	113.7	D671 E676 A677 C678 T684	D671-N674 PolarHBondContact O-N 3.12Å; N674-E676 PolarHBondContact O-N 3.16Å; N674-A677 PolarHBondContact O-N 3.48Å; N674-C678 WeakPolarHBondContact O-CB 3.45Å; N674-C678 PolarHBondContact O-N 3.18Å; N674-C678 PolarHBondContact O-SG 2.95Å; N674-C678 PolarHBondContact OD1-SG 3.4Å; N674-T684 HydrophobicContact CB-CG2 4Å
675	E	91.5	Very high	91.6	Very high	163 Å²	163	44.2 Å²	44.2	76%	0.762	22%	0.222	S	C	*	.	H	α-helix	trans	-60.9	-43.5	175.3	-68.8	-179.1	-175.8	0	0	111.9	L673 C678 I679	L673-E675 PolarHBondContact O-N 2.55Å; L673-E675 VanDerWaalsContact O-N 3.15Å; E675-C678 PolarHBondContact O-N 3.33Å; E675-I679 WeakPolarHBondContact O-CD1 3.42Å; E675-I679 VanDerWaalsContact O-CG1 3.25Å; E675-I679 WeakPolarHBondContact O-CG1 3.38Å; E675-I679 PolarHBondContact O-N 3.34Å
676	E	88.1	Confident	91.4	Very high	49 Å²	49	45.3 Å²	45.3	23%	0.229	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-41.9	176.8	-165.8	-176.2	163.5	0	0	110.7	M669 L673 N674 C678 I679 K680 R708	M669-E676 HydrophobicContact CE-CG 4.04Å; L673-E676 HydrophobicContact CB-CB 4.46Å; L673-E676 WeakPolarHBondContact O-CA 3.31Å; L673-E676 WeakPolarHBondContact O-CB 3.34Å; L673-E676 PolarHBondContact O-N 2.7Å; N674-E676 PolarHBondContact O-N 3.16Å; E676-C678 PolarHBondContact O-N 3.07Å; E676-I679 PolarHBondContact O-N 3.28Å; E676-K680 HydrophobicContact CG-CD 4.12Å; E676-K680 WeakPolarHBondContact O-CB 3.3Å; E676-K680 PolarHBondContact O-N 3.36Å; E676-K680 WeakPolarHBondContact OE1-CE 3.35Å; E676-K680 IonicContact OE1-NZ 3.94Å; E676-K680 PolarHBondContact OE1-NZ 3.45Å; E676-R708 IonicContact OE1-CZ 2.88Å; E676-R708 IonicContact OE1-NH1 3.69Å; E676-R708 IonicContact OE1-NH2 3.6Å; E676-R708 PolarHBondContact OE1-NH2 3.28Å; E676-R708 IonicContact OE2-CZ 2.68Å; E676-R708 IonicContact OE2-NH1 2.66Å; E676-R708 PolarHBondContact OE2-NH1 3.17Å; E676-R708 IonicContact OE2-NH2 3.08Å; E676-R708 PolarHBondContact OE2-NH2 3.12Å
677	A	90.1	Very high	91.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-44.4	176.1	0	0	0	0	0	111.6	M669 L673 N674 K681 H682 T684	M669-A677 HydrophobicContact CB-CB 3.91Å; M669-A677 HydrophobicContact CG-CB 3.87Å; L673-A677 PolarHBondContact O-N 2.83Å; N674-A677 PolarHBondContact O-N 3.48Å; A677-K681 WeakPolarHBondContact O-CA 3.48Å; A677-K681 PolarHBondContact O-N 3.18Å; A677-H682 CarbonylContact C-O 3.54Å; A677-H682 WeakPolarHBondContact CB-O 3.2Å; A677-H682 PolarHBondContact O-N 3.02Å; A677-T684 HydrophobicContact CB-CG2 3.89Å
678	C	92.2	Very high	91.4	Very high	56 Å²	56	47.3 Å²	47.3	38%	0.378	24%	0.239	S	C	.	.	H	α-helix	trans	-64.4	-44.4	176.2	-70	0	0	0	0	112.4	R648 N674 E675 E676 K681	R648-C678 PolarHBondContact NH2-SG 3.49Å; N674-C678 WeakPolarHBondContact O-CB 3.45Å; N674-C678 PolarHBondContact O-N 3.18Å; N674-C678 PolarHBondContact O-SG 2.95Å; N674-C678 PolarHBondContact OD1-SG 3.4Å; E675-C678 PolarHBondContact O-N 3.33Å; E676-C678 PolarHBondContact O-N 3.07Å; C678-K681 PolarHBondContact O-N 3.09Å
679	I	88.7	Confident	91.6	Very high	141 Å²	141	47.2 Å²	47.2	72%	0.723	24%	0.239	S	C	*	.	H	α-helix	trans	-63.6	-44.9	179.9	-71.3	165.9	0	0	0	111	E675 E676 K681	E675-I679 WeakPolarHBondContact O-CD1 3.42Å; E675-I679 VanDerWaalsContact O-CG1 3.25Å; E675-I679 WeakPolarHBondContact O-CG1 3.38Å; E675-I679 PolarHBondContact O-N 3.34Å; E676-I679 PolarHBondContact O-N 3.28Å; I679-K681 VanDerWaalsContact C-N 3.3Å
680	K	88.4	Confident	91.9	Very high	71 Å²	71	48 Å²	48	31%	0.309	25%	0.248	S	C	.	.	H	α-helix	trans	-84.5	-3.8	-179.6	-64.7	-175.5	171.8	175.2	0	113.9	M669 E676 H682	M669-K680 HydrophobicContact CE-CD 4.06Å; E676-K680 HydrophobicContact CG-CD 4.12Å; E676-K680 WeakPolarHBondContact O-CB 3.3Å; E676-K680 PolarHBondContact O-N 3.36Å; E676-K680 WeakPolarHBondContact OE1-CE 3.35Å; E676-K680 IonicContact OE1-NZ 3.94Å; E676-K680 PolarHBondContact OE1-NZ 3.45Å; K680-H682 PolarHBondContact O-CD2 3.06Å
681	K	93.7	Very high	92.4	Very high	97 Å²	97	46.4 Å²	46.4	42%	0.422	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	47.2	179.5	-62.1	175.6	170.8	-178	0	113.9	H624 R648 A677 C678 I679	H624-K681 PolarHBondContact ND1-O 3.31Å; R648-K681 HydrophobicContact CG-CB 4.07Å; R648-K681 HydrophobicContact CG-CG 4.49Å; A677-K681 WeakPolarHBondContact O-CA 3.48Å; A677-K681 PolarHBondContact O-N 3.18Å; C678-K681 PolarHBondContact O-N 3.09Å; I679-K681 VanDerWaalsContact C-N 3.3Å
682	H	94.5	Very high	92.8	Very high	11 Å²	11	43.8 Å²	43.8	5%	0.051	23%	0.227	C	C	.	.			trans	-119.6	165.2	171.4	-68.1	-75.1	0	0	0	111.8	H624 D646 R648 E666 T668 A677 K680 H704	H624-H682 AromaticContact CE1-CE1 3.48Å; H624-H682 PolarHBondContact CE1-CE1 3.43Å; H624-H682 VanDerWaalsContact CE1-CE1 3.48Å; H624-H682 AromaticContact CE1-NE2 3.72Å; D646-H682 IonicContact OD2-CE1 3.02Å; D646-H682 PolarHBondContact OD2-CE1 2.89Å; D646-H682 IonicContact OD2-ND1 2.65Å; R648-H682 WeakPolarHBondContact CD-O 3.14Å; R648-H682 PolarHBondContact NH1-O 3.31Å; E666-H682 VanDerWaalsContact OE1-CA 3.26Å; E666-H682 WeakPolarHBondContact OE1-CA 3.22Å; E666-H682 WeakPolarHBondContact OE1-CB 3.48Å; E666-H682 IonicContact OE1-CG 2.64Å; E666-H682 IonicContact OE1-ND1 3.27Å; E666-H682 PolarHBondContact OE1-ND1 3.04Å; E666-H682 IonicContact OE2-ND1 3.43Å; T668-H682 HydrophobicContact CG2-CB 4.31Å; T668-H682 PolarHBondContact OG1-ND1 3.01Å; A677-H682 CarbonylContact C-O 3.54Å; A677-H682 WeakPolarHBondContact CB-O 3.2Å; A677-H682 PolarHBondContact O-N 3.02Å; K680-H682 PolarHBondContact O-CD2 3.06Å; H682-H704 AromaticContact CE1-CE1 3.76Å
683	C	96	Very high	93.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.			trans	-83.3	150.3	174.8	-85.5	0	0	0	0	112.9	T647 P649 H665 E666 T668 M669 E687 A688	T647-C683 PolarHBondContact O-N 2.8Å; T647-C683 PolarHBondContact O-SG 3.1Å; P649-C683 WeakPolarHBondContact CD-SG 3.49Å; H665-C683 VanDerWaalsContact CE1-SG 3.53Å; E666-C683 PolarHBondContact OE1-N 2.84Å; E666-C683 PolarHBondContact OE2-N 2.52Å; T668-C683 PolarHBondContact N-O 2.88Å; M669-C683 PolarHBondContact N-O 2.89Å; C683-E687 HydrophobicContact CB-CB 4.35Å; C683-A688 HydrophobicContact CB-CB 4.3Å
684	T	94.4	Very high	93.7	Very high	5 Å²	5	45 Å²	45	3%	0.031	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-80.1	165.8	154.1	82.7	0	0	0	0	111.2	M669 D671 N674 A677 S686 E687 A688	M669-T684 CarbonylContact O-C 3.56Å; M669-T684 WeakPolarHBondContact O-CA 3.34Å; M669-T684 WeakPolarHBondContact O-CB 3.47Å; D671-T684 WeakPolarHBondContact OD1-CB 3.44Å; D671-T684 PolarHBondContact OD1-OG1 3.2Å; N674-T684 HydrophobicContact CB-CG2 4Å; A677-T684 HydrophobicContact CB-CG2 3.89Å; T684-S686 PolarHBondContact O-N 3.23Å; T684-E687 PolarHBondContact N-OE2 3.43Å; T684-E687 PolarHBondContact O-N 3.05Å; T684-E687 WeakPolarHBondContact OG1-CG 3.47Å; T684-E687 PolarHBondContact OG1-N 3.02Å; T684-A688 PolarHBondContact O-N 2.75Å
685	I	92.8	Very high	94.1	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-54.6	-50.6	174.6	-64	160.8	0	0	0	111.6	A667 M669 E670 E687 A688 I689 L702 P713 L714 V715	A667-I685 HydrophobicContact CB-CG1 4.26Å; M669-I685 PolarHBondContact O-N 2.93Å; E670-I685 HydrophobicContact CG-CD1 4.12Å; I685-E687 VanDerWaalsContact C-N 3.27Å; I685-E687 PolarHBondContact O-N 3.38Å; I685-A688 PolarHBondContact O-N 2.64Å; I685-I689 HydrophobicContact CG2-CD1 3.87Å; I685-I689 VanDerWaalsContact O-CG1 3.3Å; I685-I689 WeakPolarHBondContact O-CG1 3.49Å; I685-I689 PolarHBondContact O-N 3.17Å; I685-L702 HydrophobicContact CG2-CD1 3.99Å; I685-P713 HydrophobicContact CD1-CB 3.59Å; I685-P713 HydrophobicContact CD1-CG 4.06Å; I685-L714 WeakPolarHBondContact CD1-O 3.46Å; I685-V715 HydrophobicContact CG2-CG2 4.33Å
686	S	93.4	Very high	94.4	Very high	24 Å²	24	36.1 Å²	36.1	17%	0.168	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-33.6	179.6	-74.5	0	0	0	0	113.1	D671 T684 G690 K718 H719	D671-S686 WeakPolarHBondContact OD1-CB 3.36Å; D671-S686 PolarHBondContact OD1-N 2.78Å; D671-S686 PolarHBondContact OD1-OG 2.9Å; D671-S686 WeakPolarHBondContact OD2-CB 3.1Å; D671-S686 PolarHBondContact OD2-OG 3.13Å; T684-S686 PolarHBondContact O-N 3.23Å; S686-G690 PolarHBondContact O-N 3.36Å; S686-K718 WeakPolarHBondContact OG-CE 3.25Å; S686-K718 PolarHBondContact OG-NZ 2.94Å; S686-H719 PolarHBondContact OG-NE2 3.43Å
687	E	96.3	Very high	94.8	Very high	42 Å²	42	34.3 Å²	34.3	20%	0.196	20%	0.197	C	C	.	.	H	α-helix	trans	-68.6	-43.6	176.7	-70.5	179.3	137.1	0	0	111.6	R648 P649 C683 T684 I685 I689 G690 V691	R648-E687 IonicContact CZ-OE1 3.42Å; R648-E687 IonicContact CZ-OE2 3.37Å; R648-E687 IonicContact NH1-OE1 2.64Å; R648-E687 PolarHBondContact NH1-OE1 3.32Å; R648-E687 IonicContact NH1-OE2 2.82Å; R648-E687 PolarHBondContact NH1-OE2 3.36Å; R648-E687 IonicContact NH2-OE1 2.65Å; R648-E687 PolarHBondContact NH2-OE1 3.22Å; R648-E687 IonicContact NH2-OE2 3.43Å; R648-E687 PolarHBondContact NH2-OE2 3.42Å; P649-E687 HydrophobicContact CG-CB 3.9Å; P649-E687 HydrophobicContact CG-CG 4.29Å; C683-E687 HydrophobicContact CB-CB 4.35Å; T684-E687 PolarHBondContact N-OE2 3.43Å; T684-E687 PolarHBondContact O-N 3.05Å; T684-E687 WeakPolarHBondContact OG1-CG 3.47Å; T684-E687 PolarHBondContact OG1-N 3.02Å; I685-E687 VanDerWaalsContact C-N 3.27Å; I685-E687 PolarHBondContact O-N 3.38Å; E687-I689 VanDerWaalsContact C-N 3.33Å; E687-I689 PolarHBondContact O-N 3.14Å; E687-G690 PolarHBondContact O-N 3.26Å; E687-V691 WeakPolarHBondContact O-CG2 3.4Å; E687-V691 PolarHBondContact O-N 2.76Å
688	A	96.5	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-42.1	175.4	0	0	0	0	0	111.9	H665 E666 A667 C683 T684 I685 V691 G692 L702	H665-A688 HydrophobicContact CB-CB 4.32Å; E666-A688 WeakPolarHBondContact O-CB 3.4Å; A667-A688 HydrophobicContact CB-CB 4.24Å; C683-A688 HydrophobicContact CB-CB 4.3Å; T684-A688 PolarHBondContact O-N 2.75Å; I685-A688 PolarHBondContact O-N 2.64Å; A688-V691 PolarHBondContact O-N 3.28Å; A688-G692 PolarHBondContact O-N 3.31Å; A688-G692 VanDerWaalsContact O-N 3.16Å; A688-L702 HydrophobicContact CB-CD2 3.73Å
689	I	95.6	Very high	95.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-44.1	174.3	-64.4	169.3	0	0	0	110.9	I685 E687 V691 G692 Q693 L702 V715 H719 A722 V724	I685-I689 HydrophobicContact CG2-CD1 3.87Å; I685-I689 VanDerWaalsContact O-CG1 3.3Å; I685-I689 WeakPolarHBondContact O-CG1 3.49Å; I685-I689 PolarHBondContact O-N 3.17Å; E687-I689 VanDerWaalsContact C-N 3.33Å; E687-I689 PolarHBondContact O-N 3.14Å; I689-V691 VanDerWaalsContact C-N 3.3Å; I689-V691 PolarHBondContact O-N 3.28Å; I689-G692 PolarHBondContact O-N 2.82Å; I689-G692 VanDerWaalsContact O-N 3.14Å; I689-Q693 WeakPolarHBondContact O-CG 3.37Å; I689-Q693 PolarHBondContact O-N 2.96Å; I689-L702 HydrophobicContact CD1-CD1 4.43Å; I689-L702 HydrophobicContact CG1-CD1 4.22Å; I689-L702 HydrophobicContact CG1-CD2 4.46Å; I689-V715 HydrophobicContact CD1-CG1 4.35Å; I689-H719 HydrophobicContact CD1-CB 3.99Å; I689-A722 HydrophobicContact CG2-CB 4.21Å; I689-V724 HydrophobicContact CB-CG2 4.32Å; I689-V724 HydrophobicContact CD1-CG1 4.02Å; I689-V724 HydrophobicContact CD1-CG2 4.13Å; I689-V724 HydrophobicContact CG1-CB 4.49Å; I689-V724 HydrophobicContact CG1-CG1 3.9Å; I689-V724 HydrophobicContact CG1-CG2 3.78Å; I689-V724 HydrophobicContact CG2-CG2 3.74Å
690	G	95.8	Very high	95.6	Very high	21 Å²	21	36.1 Å²	36.1	22%	0.216	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-33.9	177.1	0	0	0	0	0	113.4	S686 E687 S694	S686-G690 PolarHBondContact O-N 3.36Å; E687-G690 PolarHBondContact O-N 3.26Å; G690-S694 WeakPolarHBondContact O-CB 3.45Å; G690-S694 PolarHBondContact O-N 2.85Å; G690-S694 PolarHBondContact O-OG 3.16Å
691	V	97.9	Very high	95.9	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-46.4	171.6	170.9	0	0	0	0	110.4	P649 I654 L663 E687 A688 I689 Q693 S694 M695	P649-V691 HydrophobicContact CB-CG2 3.84Å; P649-V691 HydrophobicContact CG-CG2 4.3Å; I654-V691 HydrophobicContact CD1-CG1 4.28Å; I654-V691 HydrophobicContact CD1-CG2 4.48Å; I654-V691 HydrophobicContact CG1-CG1 3.84Å; L663-V691 HydrophobicContact CD2-CG1 4.09Å; E687-V691 WeakPolarHBondContact O-CG2 3.4Å; E687-V691 PolarHBondContact O-N 2.76Å; A688-V691 PolarHBondContact O-N 3.28Å; I689-V691 VanDerWaalsContact C-N 3.3Å; I689-V691 PolarHBondContact O-N 3.28Å; V691-Q693 PolarHBondContact O-N 3.01Å; V691-S694 PolarHBondContact O-N 2.91Å; V691-M695 VanDerWaalsContact O-CB 3.29Å; V691-M695 WeakPolarHBondContact O-CB 3.23Å; V691-M695 PolarHBondContact O-N 3.22Å
692	G	97.6	Very high	96	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-59.5	-44	176.5	0	0	0	0	0	113.4	A688 I689 M695 G696 A697 T700	A688-G692 PolarHBondContact O-N 3.31Å; A688-G692 VanDerWaalsContact O-N 3.16Å; I689-G692 PolarHBondContact O-N 2.82Å; I689-G692 VanDerWaalsContact O-N 3.14Å; G692-M695 PolarHBondContact O-N 3.04Å; G692-G696 PolarHBondContact O-N 2.81Å; G692-A697 PolarHBondContact O-N 3.39Å; G692-T700 WeakPolarHBondContact CA-OG1 3.21Å
693	Q	96.7	Very high	96	Very high	117 Å²	117	29 Å²	29	55%	0.547	16%	0.16	S	C	.	.	H	α-helix	trans	-62.2	-45.3	174.9	-69.6	173.6	-16.3	0	0	112	I689 V691 M695 G696	I689-Q693 WeakPolarHBondContact O-CG 3.37Å; I689-Q693 PolarHBondContact O-N 2.96Å; V691-Q693 PolarHBondContact O-N 3.01Å; Q693-M695 VanDerWaalsContact C-N 3.31Å; Q693-M695 PolarHBondContact O-N 2.99Å; Q693-G696 PolarHBondContact O-N 2.64Å
694	S	97.9	Very high	96	Very high	73 Å²	73	29.1 Å²	29.1	51%	0.51	16%	0.16	S	C	.	.	H	α-helix	trans	-66.6	-34	179.8	-57.3	0	0	0	0	112.5	G690 V691 G696	G690-S694 WeakPolarHBondContact O-CB 3.45Å; G690-S694 PolarHBondContact O-N 2.85Å; G690-S694 PolarHBondContact O-OG 3.16Å; V691-S694 PolarHBondContact O-N 2.91Å; S694-G696 PolarHBondContact O-N 3.33Å
695	M	98.2	Very high	95.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.8	-16.4	173	-173.9	177.9	-71.1	0	0	112.3	V642 L653 I654 G657 Q658 G659 A660 L663 V691 G692 Q693 A697	V642-M695 HydrophobicContact CB-SD 4.31Å; V642-M695 HydrophobicContact CG1-CE 4.06Å; V642-M695 HydrophobicContact CG1-SD 4.42Å; V642-M695 HydrophobicContact CG2-SD 4.01Å; L653-M695 HydrophobicContact CG-CE 4.23Å; L653-M695 WeakPolarHBondContact O-CE 3.22Å; I654-M695 HydrophobicContact CG2-CB 4.42Å; G657-M695 WeakPolarHBondContact O-CG 3.29Å; Q658-M695 WeakPolarHBondContact CA-O 3.32Å; Q658-M695 PolarHBondContact NE2-O 3.44Å; G659-M695 PolarHBondContact N-O 3.39Å; A660-M695 HydrophobicContact CB-SD 4.07Å; L663-M695 HydrophobicContact CB-SD 4.11Å; L663-M695 HydrophobicContact CD1-CE 3.89Å; L663-M695 HydrophobicContact CD1-SD 3.97Å; L663-M695 HydrophobicContact CD2-CE 4.27Å; L663-M695 HydrophobicContact CD2-SD 4.11Å; L663-M695 HydrophobicContact CG-SD 4.28Å; V691-M695 VanDerWaalsContact O-CB 3.29Å; V691-M695 WeakPolarHBondContact O-CB 3.23Å; V691-M695 PolarHBondContact O-N 3.22Å; G692-M695 PolarHBondContact O-N 3.04Å; Q693-M695 VanDerWaalsContact C-N 3.31Å; Q693-M695 PolarHBondContact O-N 2.99Å; M695-A697 HydrophobicContact CB-CB 4.42Å; M695-A697 HydrophobicContact CG-CB 4.4Å; M695-A697 PolarHBondContact O-N 3.19Å; M695-A697 HydrophobicContact SD-CB 4.33Å
696	G	97.2	Very high	95.8	Very high	44 Å²	44	29.6 Å²	29.6	45%	0.454	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	31.8	-168.5	0	0	0	0	0	111.6	G692 Q693 S694 R698	G692-G696 PolarHBondContact O-N 2.81Å; Q693-G696 PolarHBondContact O-N 2.64Å; S694-G696 PolarHBondContact O-N 3.33Å; G696-R698 PolarHBondContact O-N 3.34Å
697	A	97.7	Very high	95.2	Very high	11 Å²	11	29.9 Å²	29.9	9%	0.091	17%	0.171	C	C	.	.			trans	-67.6	130.5	179	0	0	0	0	0	109.7	A660 L663 G692 M695 F699	A660-A697 CarbonylContact O-C 3.54Å; A660-A697 WeakPolarHBondContact O-CA 3.47Å; L663-A697 HydrophobicContact CB-CB 3.76Å; G692-A697 PolarHBondContact O-N 3.39Å; M695-A697 HydrophobicContact CB-CB 4.42Å; M695-A697 HydrophobicContact CG-CB 4.4Å; M695-A697 PolarHBondContact O-N 3.19Å; M695-A697 HydrophobicContact SD-CB 4.33Å; A697-F699 VanDerWaalsContact C-N 3.29Å; A697-F699 PolarHBondContact O-N 3.16Å
698	R	95.3	Very high	94.4	Very high	161 Å²	161	33.4 Å²	33.4	61%	0.608	18%	0.182	S	C	*	.	S	Bend	trans	-63	-39.5	179.1	179.2	-177.1	168.8	-171.8	-3.8	111.3	A660 D661 G696 P723	A660-R698 PolarHBondContact O-N 2.86Å; D661-R698 WeakPolarHBondContact O-CB 3.42Å; G696-R698 PolarHBondContact O-N 3.34Å; R698-P723 WeakPolarHBondContact O-CB 3.4Å; R698-P723 VanDerWaalsContact O-CG 3.24Å; R698-P723 WeakPolarHBondContact O-CG 3.36Å
699	F	95.1	Very high	93.4	Very high	69 Å²	69	34.3 Å²	34.3	30%	0.303	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.6	174.3	-60.3	-65.6	0	0	0	110.8	D661 L662 L663 A697 P723 Y725	D661-F699 PolarHBondContact O-N 3.44Å; D661-F699 VanDerWaalsContact O-N 3.14Å; L662-F699 HydrophobicContact CD1-CB 3.78Å; L663-F699 PolarHBondContact N-O 3.08Å; A697-F699 VanDerWaalsContact C-N 3.29Å; A697-F699 PolarHBondContact O-N 3.16Å; F699-P723 HydrophobicContact CD1-CB 4.02Å; F699-Y725 HydrophobicContact CD1-CD2 4.42Å; F699-Y725 AromaticContact CD1-CE2 3.57Å; F699-Y725 HydrophobicContact CD1-CE2 3.57Å; F699-Y725 HydrophobicContact CE1-CE2 4.15Å; F699-Y725 HydrophobicContact CG-CE2 4.37Å
700	T	96.1	Very high	91.6	Very high	5 Å²	5	38 Å²	38	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.9	172.4	-59.2	0	0	0	0	109.8	L663 G692 L702 P723 V724 Y725	L663-T700 HydrophobicContact CD2-CG2 4.23Å; L663-T700 HydrophobicContact CG-CG2 4.49Å; L663-T700 CarbonylContact O-C 3.45Å; L663-T700 WeakPolarHBondContact O-CA 3.24Å; G692-T700 WeakPolarHBondContact CA-OG1 3.21Å; T700-L702 HydrophobicContact CG2-CD2 3.88Å; T700-P723 PolarHBondContact N-O 2.66Å; T700-V724 CarbonylContact O-C 3.57Å; T700-V724 WeakPolarHBondContact O-CA 3.21Å; T700-Y725 PolarHBondContact O-N 3.02Å
701	L	95.5	Very high	90.1	Very high	24 Å²	24	41 Å²	41	13%	0.126	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.6	177.6	-169.2	160.7	0	0	0	109.5	F468 L662 L663 I664 H665 Y725	F468-L701 HydrophobicContact CE1-CD2 3.91Å; F468-L701 HydrophobicContact CE2-CD1 3.85Å; F468-L701 HydrophobicContact CE2-CD2 3.94Å; F468-L701 HydrophobicContact CZ-CD1 3.87Å; F468-L701 HydrophobicContact CZ-CD2 3.26Å; F468-L701 HydrophobicContact CZ-CG 4.23Å; L662-L701 HydrophobicContact CD1-CB 4.11Å; L663-L701 PolarHBondContact O-N 3.01Å; I664-L701 CarbonylContact C-O 3.43Å; I664-L701 VanDerWaalsContact CA-O 3.29Å; I664-L701 WeakPolarHBondContact CA-O 3.4Å; I664-L701 HydrophobicContact CG2-CD2 4.32Å; H665-L701 PolarHBondContact N-O 3.26Å; L701-Y725 CarbonylContact C-O 3.6Å; L701-Y725 VanDerWaalsContact CA-O 3.31Å; L701-Y725 WeakPolarHBondContact CA-O 3.49Å
702	L	95.6	Very high	88.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	137.1	-177.1	-54.5	-177.2	0	0	0	111.6	H665 A667 I685 A688 I689 T700 F705 V724 Y725 M726 G727	H665-L702 CarbonylContact O-C 3.51Å; H665-L702 WeakPolarHBondContact O-CA 3.42Å; A667-L702 HydrophobicContact CB-CB 3.95Å; A667-L702 HydrophobicContact CB-CD1 4.27Å; A667-L702 HydrophobicContact CB-CD2 4.25Å; A667-L702 HydrophobicContact CB-CG 4.38Å; I685-L702 HydrophobicContact CG2-CD1 3.99Å; A688-L702 HydrophobicContact CB-CD2 3.73Å; I689-L702 HydrophobicContact CD1-CD1 4.43Å; I689-L702 HydrophobicContact CG1-CD1 4.22Å; I689-L702 HydrophobicContact CG1-CD2 4.46Å; T700-L702 HydrophobicContact CG2-CD2 3.88Å; L702-F705 HydrophobicContact CB-CE1 4.04Å; L702-F705 HydrophobicContact CB-CZ 3.8Å; L702-F705 WeakPolarHBondContact O-CE2 3.44Å; L702-F705 WeakPolarHBondContact O-CZ 3.23Å; L702-V724 HydrophobicContact CD1-CG1 3.79Å; L702-V724 HydrophobicContact CG-CG1 3.96Å; L702-Y725 PolarHBondContact N-O 2.88Å; L702-M726 HydrophobicContact CB-CG 4.31Å; L702-M726 HydrophobicContact CD1-CG 4.4Å; L702-G727 PolarHBondContact O-N 2.86Å
703	T	95.2	Very high	87.2	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	-171.7	178	-171.1	0	0	0	0	111.2	I664 H665 E666 A667	I664-T703 HydrophobicContact CG2-CG2 3.86Å; H665-T703 PolarHBondContact O-N 2.81Å; E666-T703 CarbonylContact C-O 3.57Å; E666-T703 WeakPolarHBondContact CA-O 3.47Å; A667-T703 PolarHBondContact N-O 3.11Å
704	H	94.7	Very high	86	Confident	3 Å²	3	46.3 Å²	46.3	1%	0.014	25%	0.249	C	C	.	.			trans	58.1	52.5	175.3	-167.6	-96.6	0	0	0	112.3	T471 S473 D534 H535 D646 E666 T668 H682	T471-H704 CarbonylContact O-C 3.47Å; T471-H704 VanDerWaalsContact O-CA 3.23Å; T471-H704 WeakPolarHBondContact O-CA 3.49Å; T471-H704 PolarHBondContact O-N 3.44Å; S473-H704 WeakPolarHBondContact CA-NE2 3.24Å; S473-H704 WeakPolarHBondContact CB-CE1 3.49Å; S473-H704 WeakPolarHBondContact CB-NE2 3.47Å; D534-H704 IonicContact OD2-NE2 2.73Å; D534-H704 PolarHBondContact OD2-NE2 3.4Å; H535-H704 AromaticContact CE1-CD2 3.84Å; H535-H704 AromaticContact CE1-NE2 3.71Å; H535-H704 AromaticContact NE2-NE2 3.64Å; D646-H704 IonicContact OD1-CD2 3.69Å; D646-H704 IonicContact OD1-CE1 3.75Å; D646-H704 PolarHBondContact OD1-CE1 2.95Å; D646-H704 IonicContact OD1-CG 2.79Å; D646-H704 IonicContact OD1-ND1 3.03Å; D646-H704 IonicContact OD1-NE2 3.54Å; D646-H704 PolarHBondContact OD1-NE2 3.25Å; D646-H704 IonicContact OD2-CE1 3.58Å; D646-H704 PolarHBondContact OD2-CE1 3.49Å; D646-H704 IonicContact OD2-NE2 3.9Å; D646-H704 PolarHBondContact OD2-NE2 2.78Å; E666-H704 HydrophobicContact CB-CB 3.85Å; T668-H704 WeakPolarHBondContact CA-O 3.46Å; T668-H704 PolarHBondContact N-O 2.9Å; T668-H704 PolarHBondContact OG1-ND1 2.79Å; T668-H704 PolarHBondContact OG1-O 2.61Å; H682-H704 AromaticContact CE1-CE1 3.76Å
705	F	92.9	Very high	84.8	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	141.5	-176.4	-58.2	-71.1	0	0	0	111.9	T471 S473 A667 L702 G707 P713 M726 G727	T471-F705 PolarHBondContact O-N 2.91Å; S473-F705 PolarHBondContact N-O 3.28Å; S473-F705 PolarHBondContact OG-O 3.43Å; A667-F705 HydrophobicContact CB-CD1 4.35Å; A667-F705 HydrophobicContact CB-CE1 3.96Å; L702-F705 HydrophobicContact CB-CE1 4.04Å; L702-F705 HydrophobicContact CB-CZ 3.8Å; L702-F705 WeakPolarHBondContact O-CE2 3.44Å; L702-F705 WeakPolarHBondContact O-CZ 3.23Å; F705-G707 PolarHBondContact O-N 3.43Å; F705-P713 HydrophobicContact CD1-CG 3.6Å; F705-P713 HydrophobicContact CE1-CG 3.57Å; F705-P713 HydrophobicContact CG-CG 4.45Å; F705-P713 HydrophobicContact CZ-CG 4.42Å; F705-M726 HydrophobicContact CE1-SD 4.08Å; F705-M726 HydrophobicContact CZ-CB 4.15Å; F705-M726 HydrophobicContact CZ-CG 4.17Å; F705-M726 HydrophobicContact CZ-SD 3.96Å; F705-G727 WeakPolarHBondContact CE2-O 3.29Å
706	S	90	Very high	83.7	Confident	12 Å²	12	48.6 Å²	48.6	8%	0.084	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	131.8	173.3	-174.4	0	0	0	0	112.1	S473 T668 R708 Y709	S473-S706 VanDerWaalsContact OG-CA 3.29Å; S473-S706 WeakPolarHBondContact OG-CA 3.39Å; T668-S706 WeakPolarHBondContact O-CB 3.41Å; T668-S706 PolarHBondContact O-N 3Å; T668-S706 VanDerWaalsContact O-N 3.11Å; S706-R708 PolarHBondContact O-N 2.91Å; S706-R708 WeakPolarHBondContact OG-CG 3.41Å; S706-R708 PolarHBondContact OG-N 3.41Å; S706-R708 PolarHBondContact OG-NE 3.22Å; S706-Y709 WeakPolarHBondContact O-CD2 3.45Å; S706-Y709 PolarHBondContact O-N 3.16Å
707	G	81.9	Confident	82.6	Confident	31 Å²	31	50.3 Å²	50.3	32%	0.32	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-2.8	173.5	0	0	0	0	0	114.9	V477 F705	V477-G707 VanDerWaalsContact CG1-CA 3.5Å; F705-G707 PolarHBondContact O-N 3.43Å
708	R	79.4	Confident	81.7	Confident	115 Å²	115	55.1 Å²	55.1	43%	0.434	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-23.4	168.8	76.7	-174.2	64.1	-156.4	-0.1	112.5	L673 E676 S706	L673-R708 VanDerWaalsContact CD1-NH1 3.28Å; E676-R708 IonicContact OE1-CZ 2.88Å; E676-R708 IonicContact OE1-NH1 3.69Å; E676-R708 IonicContact OE1-NH2 3.6Å; E676-R708 PolarHBondContact OE1-NH2 3.28Å; E676-R708 IonicContact OE2-CZ 2.68Å; E676-R708 IonicContact OE2-NH1 2.66Å; E676-R708 PolarHBondContact OE2-NH1 3.17Å; E676-R708 IonicContact OE2-NH2 3.08Å; E676-R708 PolarHBondContact OE2-NH2 3.12Å; S706-R708 PolarHBondContact O-N 2.91Å; S706-R708 WeakPolarHBondContact OG-CG 3.41Å; S706-R708 PolarHBondContact OG-N 3.41Å; S706-R708 PolarHBondContact OG-NE 3.22Å
709	Y	75.9	Confident	80.9	Confident	19 Å²	19	48.5 Å²	48.5	8%	0.075	26%	0.258	C	S	.	.			trans	-89.3	104.1	175.8	-47.5	-55.9	0	0	0	107.6	R480 T668 E670 S706 K711 P713	R480-Y709 PolarHBondContact NH1-O 3.42Å; R480-Y709 VanDerWaalsContact NH1-O 3.15Å; R480-Y709 PolarHBondContact NH2-O 2.95Å; T668-Y709 WeakPolarHBondContact O-CE2 3.18Å; E670-Y709 WeakPolarHBondContact CB-OH 3.07Å; E670-Y709 VanDerWaalsContact CD-CE1 3.44Å; E670-Y709 HydrophobicContact CG-CE1 3.71Å; E670-Y709 WeakPolarHBondContact CG-OH 3.16Å; E670-Y709 PolarHBondContact N-OH 3.22Å; E670-Y709 WeakPolarHBondContact OE1-CE1 3.33Å; S706-Y709 WeakPolarHBondContact O-CD2 3.45Å; S706-Y709 PolarHBondContact O-N 3.16Å; Y709-K711 PolarHBondContact O-N 3.22Å; Y709-P713 HydrophobicContact CD2-CB 4.34Å; Y709-P713 HydrophobicContact CG-CB 4.45Å
710	S	58	Low	79.7	Confident	78 Å²	78	51.5 Å²	51.5	55%	0.545	28%	0.277	S	S	.	.	S	Bend	trans	-65.8	-34.7	174.8	57	0	0	0	0	111.1	R480 D731	R480-S710 PolarHBondContact NH1-O 3.21Å; R480-S710 VanDerWaalsContact NH1-O 3.1Å; S710-D731 WeakPolarHBondContact O-CB 3.34Å; S710-D731 VanDerWaalsContact O-OD2 3.09Å
711	K	63.2	Low	78.5	Confident	84 Å²	84	56.8 Å²	56.8	37%	0.365	31%	0.314	S	S	.	.	S	Bend	trans	-103	-149.4	-178.2	-54	-169	173.9	-147.4	0	111.6	R480 Y709 D732 Q733	R480-K711 PolarHBondContact NH1-O 2.95Å; Y709-K711 PolarHBondContact O-N 3.22Å; K711-D732 IonicContact NZ-OD1 2.77Å; K711-D732 PolarHBondContact NZ-OD1 3.21Å; K711-Q733 PolarHBondContact NZ-O 3.29Å
712	L	67.2	Low	77.4	Confident	91 Å²	91	56.4 Å²	56.4	48%	0.476	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-73	140.8	164.2	-74.4	143.2	0	0	0	111.3	M726 T728	L712-M726 HydrophobicContact CB-CE 4.09Å; L712-M726 HydrophobicContact CD2-CB 4.15Å; L712-M726 HydrophobicContact CD2-CE 3.35Å; L712-M726 HydrophobicContact CD2-SD 3.99Å; L712-M726 HydrophobicContact CG-CE 4.32Å; L712-T728 HydrophobicContact CD2-CG2 3.55Å; L712-T728 HydrophobicContact CG-CG2 4.31Å
713	P	68.4	Low	76.5	Confident	6 Å²	6	59.2 Å²	59.2	4%	0.039	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-69.4	154.2	170	33.7	-37.5	0	0	0	110.9	I685 F705 Y709 V715 M726	I685-P713 HydrophobicContact CD1-CB 3.59Å; I685-P713 HydrophobicContact CD1-CG 4.06Å; F705-P713 HydrophobicContact CD1-CG 3.6Å; F705-P713 HydrophobicContact CE1-CG 3.57Å; F705-P713 HydrophobicContact CG-CG 4.45Å; F705-P713 HydrophobicContact CZ-CG 4.42Å; Y709-P713 HydrophobicContact CD2-CB 4.34Å; Y709-P713 HydrophobicContact CG-CB 4.45Å; P713-V715 PolarHBondContact O-N 2.9Å; P713-M726 HydrophobicContact CG-CE 4.37Å; P713-M726 HydrophobicContact CG-SD 3.5Å; P713-M726 VanDerWaalsContact CG-SD 3.5Å
714	L	70.9	Confident	75.7	Confident	136 Å²	136	60.7 Å²	60.7	71%	0.712	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-74.2	119.9	177.7	-68.3	170.2	0	0	0	110.3	I685	I685-L714 WeakPolarHBondContact CD1-O 3.46Å
715	V	73.3	Confident	74.8	Confident	54 Å²	54	66.7 Å²	66.7	33%	0.327	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-90.4	129	166.5	-175.8	0	0	0	0	107.9	I685 I689 P713 H719 M726	I685-V715 HydrophobicContact CG2-CG2 4.33Å; I689-V715 HydrophobicContact CD1-CG1 4.35Å; P713-V715 PolarHBondContact O-N 2.9Å; V715-H719 HydrophobicContact CG1-CB 4Å; V715-M726 HydrophobicContact CG2-CE 3.79Å; V715-M726 HydrophobicContact CG2-SD 4.17Å
716	D	74.2	Confident	73.9	Confident	67 Å²	67	68.9 Å²	68.9	36%	0.358	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-70.5	135.2	177.2	-174.8	-17.8	0	0	0	110.2	K718 H719	D716-K718 HydrophobicContact CB-CD 4.25Å; D716-K718 HydrophobicContact CB-CG 3.98Å; D716-K718 PolarHBondContact O-N 3.17Å; D716-K718 PolarHBondContact OD1-N 3.36Å; D716-K718 WeakPolarHBondContact OD2-CD 3.15Å; D716-K718 WeakPolarHBondContact OD2-CE 3.25Å; D716-K718 IonicContact OD2-NZ 3.16Å; D716-K718 PolarHBondContact OD2-NZ 3.05Å; D716-H719 PolarHBondContact O-N 2.83Å
717	S	74.6	Confident	72.6	Confident	81 Å²	81	68.5 Å²	68.5	57%	0.566	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-48.1	-23.6	176	52.7	0	0	0	0	115.2	H719 D720	S717-H719 PolarHBondContact O-N 3.3Å; S717-H719 VanDerWaalsContact O-N 3.08Å; S717-D720 WeakPolarHBondContact CA-OD1 3.46Å; S717-D720 WeakPolarHBondContact O-CB 3.31Å; S717-D720 PolarHBondContact O-N 2.8Å; S717-D720 VanDerWaalsContact O-N 3.15Å
718	K	79.1	Confident	71.4	Confident	112 Å²	112	68.3 Å²	68.3	49%	0.487	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-59.2	-19	173.3	73.1	-171.2	177	-133.1	0	113.6	D671 S686 D716	D671-K718 IonicContact OD2-NZ 2.76Å; D671-K718 PolarHBondContact OD2-NZ 2.68Å; D671-K718 VanDerWaalsContact OD2-NZ 3.16Å; S686-K718 WeakPolarHBondContact OG-CE 3.25Å; S686-K718 PolarHBondContact OG-NZ 2.94Å; D716-K718 HydrophobicContact CB-CD 4.25Å; D716-K718 HydrophobicContact CB-CG 3.98Å; D716-K718 PolarHBondContact O-N 3.17Å; D716-K718 PolarHBondContact OD1-N 3.36Å; D716-K718 WeakPolarHBondContact OD2-CD 3.15Å; D716-K718 WeakPolarHBondContact OD2-CE 3.25Å; D716-K718 IonicContact OD2-NZ 3.16Å; D716-K718 PolarHBondContact OD2-NZ 3.05Å
719	H	76.9	Confident	70.2	Confident	22 Å²	22	63.9 Å²	63.9	10%	0.102	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-100.7	4.8	-179.4	-61.2	-60.1	0	0	0	114	S686 I689 V715 D716 S717 S721 A722	S686-H719 PolarHBondContact OG-NE2 3.43Å; I689-H719 HydrophobicContact CD1-CB 3.99Å; V715-H719 HydrophobicContact CG1-CB 4Å; D716-H719 PolarHBondContact O-N 2.83Å; S717-H719 PolarHBondContact O-N 3.3Å; S717-H719 VanDerWaalsContact O-N 3.08Å; H719-S721 PolarHBondContact O-N 3.02Å; H719-A722 WeakPolarHBondContact O-CB 3.39Å; H719-A722 PolarHBondContact O-N 3.42Å
720	D	70.7	Confident	68.7	Low	131 Å²	131	63.3 Å²	63.3	70%	0.701	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20	-176.6	-69.2	-12.1	0	0	0	113.7	S717	S717-D720 WeakPolarHBondContact CA-OD1 3.46Å; S717-D720 WeakPolarHBondContact O-CB 3.31Å; S717-D720 PolarHBondContact O-N 2.8Å; S717-D720 VanDerWaalsContact O-N 3.15Å
721	S	70.1	Confident	67.9	Low	117 Å²	117	60.4 Å²	60.4	82%	0.818	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-8.4	177.6	57.5	0	0	0	0	114.5	H719	H719-S721 PolarHBondContact O-N 3.02Å
722	A	72.8	Confident	66.4	Low	15 Å²	15	60.1 Å²	60.1	12%	0.124	33%	0.332	C	S	.	.	S	Bend	trans	-84.3	141.8	-179.4	0	0	0	0	0	110.2	I689 H719 V724	I689-A722 HydrophobicContact CG2-CB 4.21Å; H719-A722 WeakPolarHBondContact O-CB 3.39Å; H719-A722 PolarHBondContact O-N 3.42Å; A722-V724 HydrophobicContact CB-CG2 3.58Å; A722-V724 PolarHBondContact O-N 3.28Å
723	P	78	Confident	64.7	Low	60 Å²	60	60.6 Å²	60.6	39%	0.39	33%	0.332	S	S	.	.			trans	-75.2	65.4	177.7	32.6	-36	0	0	0	111.1	R698 F699 T700	R698-P723 WeakPolarHBondContact O-CB 3.4Å; R698-P723 VanDerWaalsContact O-CG 3.24Å; R698-P723 WeakPolarHBondContact O-CG 3.36Å; F699-P723 HydrophobicContact CD1-CB 4.02Å; T700-P723 PolarHBondContact N-O 2.66Å
724	V	76.6	Confident	62.8	Low	34 Å²	34	64.5 Å²	64.5	21%	0.206	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.4	-172.8	179.9	0	0	0	0	110	I689 T700 L702 A722	I689-V724 HydrophobicContact CB-CG2 4.32Å; I689-V724 HydrophobicContact CD1-CG1 4.02Å; I689-V724 HydrophobicContact CD1-CG2 4.13Å; I689-V724 HydrophobicContact CG1-CB 4.49Å; I689-V724 HydrophobicContact CG1-CG1 3.9Å; I689-V724 HydrophobicContact CG1-CG2 3.78Å; I689-V724 HydrophobicContact CG2-CG2 3.74Å; T700-V724 CarbonylContact O-C 3.57Å; T700-V724 WeakPolarHBondContact O-CA 3.21Å; L702-V724 HydrophobicContact CD1-CG1 3.79Å; L702-V724 HydrophobicContact CG-CG1 3.96Å; A722-V724 HydrophobicContact CB-CG2 3.58Å; A722-V724 PolarHBondContact O-N 3.28Å
725	Y	77.6	Confident	61.1	Low	129 Å²	129	62.8 Å²	62.8	51%	0.506	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.9	177.7	-60.1	-95.4	0	0	0	108.9	F699 T700 L701 L702	F699-Y725 HydrophobicContact CD1-CD2 4.42Å; F699-Y725 AromaticContact CD1-CE2 3.57Å; F699-Y725 HydrophobicContact CD1-CE2 3.57Å; F699-Y725 HydrophobicContact CE1-CE2 4.15Å; F699-Y725 HydrophobicContact CG-CE2 4.37Å; T700-Y725 PolarHBondContact O-N 3.02Å; L701-Y725 CarbonylContact C-O 3.6Å; L701-Y725 VanDerWaalsContact CA-O 3.31Å; L701-Y725 WeakPolarHBondContact CA-O 3.49Å; L702-Y725 PolarHBondContact N-O 2.88Å
726	M	72.4	Confident	59.2	Low	53 Å²	53	67.3 Å²	67.3	26%	0.261	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.2	172.2	-68.8	-156.5	-89.8	0	0	109.8	L702 F705 L712 P713 V715 T728	L702-M726 HydrophobicContact CB-CG 4.31Å; L702-M726 HydrophobicContact CD1-CG 4.4Å; F705-M726 HydrophobicContact CE1-SD 4.08Å; F705-M726 HydrophobicContact CZ-CB 4.15Å; F705-M726 HydrophobicContact CZ-CG 4.17Å; F705-M726 HydrophobicContact CZ-SD 3.96Å; L712-M726 HydrophobicContact CB-CE 4.09Å; L712-M726 HydrophobicContact CD2-CB 4.15Å; L712-M726 HydrophobicContact CD2-CE 3.35Å; L712-M726 HydrophobicContact CD2-SD 3.99Å; L712-M726 HydrophobicContact CG-CE 4.32Å; P713-M726 HydrophobicContact CG-CE 4.37Å; P713-M726 HydrophobicContact CG-SD 3.5Å; P713-M726 VanDerWaalsContact CG-SD 3.5Å; V715-M726 HydrophobicContact CG2-CE 3.79Å; V715-M726 HydrophobicContact CG2-SD 4.17Å; M726-T728 PolarHBondContact O-N 3.38Å
727	G	63.6	Low	57.4	Low	4 Å²	4	69 Å²	69	4%	0.041	39%	0.393	C	S	.	.			trans	-69.1	112	166.4	0	0	0	0	0	108.5	L702 F705	L702-G727 PolarHBondContact O-N 2.86Å; F705-G727 WeakPolarHBondContact CE2-O 3.29Å
728	T	56.1	Low	55.8	Low	26 Å²	26	66.9 Å²	66.9	16%	0.16	38%	0.376	C	S	.	.			trans	-104.2	129.8	172.5	54.9	0	0	0	0	108.5	F382 L712 M726	F382-T728 VanDerWaalsContact CE1-OG1 3.29Å; F382-T728 WeakPolarHBondContact CE1-OG1 3.35Å; F382-T728 VanDerWaalsContact CZ-OG1 3.32Å; F382-T728 WeakPolarHBondContact CZ-OG1 3.31Å; L712-T728 HydrophobicContact CD2-CG2 3.55Å; L712-T728 HydrophobicContact CG-CG2 4.31Å; M726-T728 PolarHBondContact O-N 3.38Å
729	D	55.6	Low	54.1	Low	22 Å²	22	64.8 Å²	64.8	12%	0.118	38%	0.376	C	S	.	.			trans	-89.7	160.6	133.9	-22.8	-52.3	0	0	0	105.6	G470 T471 R480 N481	G470-D729 VanDerWaalsContact CA-OD2 3.25Å; G470-D729 WeakPolarHBondContact CA-OD2 3.1Å; T471-D729 WeakPolarHBondContact CG2-OD1 3.48Å; T471-D729 PolarHBondContact N-OD2 3.14Å; T471-D729 PolarHBondContact OG1-N 3.23Å; T471-D729 PolarHBondContact OG1-OD1 3.38Å; T471-D729 PolarHBondContact OG1-OD2 3.37Å; R480-D729 WeakPolarHBondContact CA-OD2 3.24Å; R480-D729 HydrophobicContact CB-CB 4.13Å; R480-D729 VanDerWaalsContact CB-OD2 3.27Å; R480-D729 WeakPolarHBondContact CB-OD2 3.4Å; R480-D729 WeakPolarHBondContact CD-O 3.49Å; R480-D729 HydrophobicContact CG-CB 3.97Å; R480-D729 WeakPolarHBondContact CG-O 3.48Å; N481-D729 PolarHBondContact N-OD2 2.92Å
730	G	43.1	Very low	53.4	Low	8 Å²	8	73.2 Å²	73.2	8%	0.082	41%	0.412	C	S	.	.	S	Bend	trans	39.1	93.9	144.4	0	0	0	0	0	123.1	F370 T479 R480	F370-G730 VanDerWaalsContact CG-C 3.4Å; T479-G730 WeakPolarHBondContact CB-O 3.24Å; T479-G730 PolarHBondContact OG1-O 2.89Å; R480-G730 WeakPolarHBondContact CG-O 3.38Å
731	D	41.1	Very low	52.9	Low	16 Å²	16	74.3 Å²	74.3	9%	0.086	41%	0.411	C	S	.	.				169.5	133.1	119.6	-166.6	36.6	0	0	0	118.3	F370 T479 S710	F370-D731 WeakPolarHBondContact CE2-O 3.35Å; F370-D731 WeakPolarHBondContact CZ-O 3.4Å; T479-D731 HydrophobicContact CG2-CB 3.83Å; S710-D731 WeakPolarHBondContact O-CB 3.34Å; S710-D731 VanDerWaalsContact O-OD2 3.09Å
732	D	33	Very low	52.2	Low	79 Å²	79	74.3 Å²	74.3	42%	0.422	40%	0.398	S	S	.	.			trans	-149.1	102.6	144.5	-160.2	17.8	0	0	0	111.5	F370 Q373 K711	F370-D732 HydrophobicContact CE2-CB 4.34Å; F370-D732 VanDerWaalsContact CE2-N 3.28Å; Q373-D732 PolarHBondContact NE2-O 3.43Å; Q373-D732 PolarHBondContact OE1-O 2.84Å; K711-D732 IonicContact NZ-OD1 2.77Å; K711-D732 PolarHBondContact NZ-OD1 3.21Å
733	Q	30.9	Very low	51.8	Low	100 Å²	100	76.8 Å²	76.8	47%	0.467	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-83.8	124.6	166.3	-66.4	-168	-13.3	0	0	111.1	K711	K711-Q733 PolarHBondContact NZ-O 3.29Å
734	Q	28.3	Very low	51.5	Low	89 Å²	89	80.4 Å²	80.4	42%	0.416	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-58.7	131.6	152.2	-97.9	-174.1	-19.4	0	0	107.7	E438 D736	E438-Q734 PolarHBondContact OE1-NE2 3.12Å; Q734-D736 PolarHBondContact O-N 3.12Å; Q734-D736 VanDerWaalsContact O-N 3.09Å
735	P	34	Very low	51.3	Low	100 Å²	100	87.4 Å²	87.4	65%	0.649	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-67.1	116.8	178.4	26.6	-29.9	0	0	0	108.1	A737 V738	P735-A737 PolarHBondContact O-N 2.88Å; P735-V738 HydrophobicContact CB-CG2 4.24Å
736	D	33.6	Very low	50.8	Low	149 Å²	149	85.7 Å²	85.7	80%	0.797	44%	0.437	S	S	*	.			trans	-34	115.9	164.7	-78.9	-38.2	0	0	0	108.3	Q734 V738	Q734-D736 PolarHBondContact O-N 3.12Å; Q734-D736 VanDerWaalsContact O-N 3.09Å; D736-V738 VanDerWaalsContact C-N 3.29Å; D736-V738 VanDerWaalsContact O-CA 3.25Å; D736-V738 WeakPolarHBondContact O-CA 3.28Å; D736-V738 VanDerWaalsContact O-CG2 3.26Å; D736-V738 WeakPolarHBondContact O-CG2 3.4Å; D736-V738 PolarHBondContact O-N 2.9Å
737	A	36.8	Very low	51.1	Low	103 Å²	103	90.5 Å²	90.5	85%	0.851	45%	0.452	S	S	*	.			trans	-39.4	96	-170	0	0	0	0	0	109.9	P735 S739	P735-A737 PolarHBondContact O-N 2.88Å; A737-S739 PolarHBondContact O-N 3.36Å
738	V	41.9	Very low	51.7	Low	36 Å²	36	96.6 Å²	96.6	22%	0.218	48%	0.478	C	S	.	.			trans	-66.9	113.7	-165.2	-179.6	0	0	0	0	104.9	P735 D736 K740 Q742 L743	P735-V738 HydrophobicContact CB-CG2 4.24Å; D736-V738 VanDerWaalsContact C-N 3.29Å; D736-V738 VanDerWaalsContact O-CA 3.25Å; D736-V738 WeakPolarHBondContact O-CA 3.28Å; D736-V738 VanDerWaalsContact O-CG2 3.26Å; D736-V738 WeakPolarHBondContact O-CG2 3.4Å; D736-V738 PolarHBondContact O-N 2.9Å; V738-K740 PolarHBondContact O-N 3.08Å; V738-Q742 VanDerWaalsContact CG1-C 3.46Å; V738-Q742 HydrophobicContact CG1-CB 3.36Å; V738-Q742 HydrophobicContact CG1-CG 3.38Å; V738-L743 HydrophobicContact CB-CB 4.42Å; V738-L743 HydrophobicContact CG1-CB 4.16Å; V738-L743 VanDerWaalsContact CG1-N 3.26Å
739	S	43.5	Very low	52.6	Low	68 Å²	68	103.5 Å²	103.5	48%	0.476	50%	0.501	S	S	.	.			trans	-35.6	133.9	176.7	164.8	0	0	0	0	109.3	A737 K741 Q742 L743	A737-S739 PolarHBondContact O-N 3.36Å; S739-K741 CarbonylContact O-C 3.55Å; S739-K741 PolarHBondContact O-N 3.4Å; S739-K741 PolarHBondContact OG-N 3.23Å; S739-Q742 WeakPolarHBondContact O-CA 3.48Å; S739-Q742 PolarHBondContact O-N 3.29Å; S739-L743 PolarHBondContact O-N 3.01Å
740	K	61.9	Low	53.5	Low	199 Å²	199	107.1 Å²	107.1	87%	0.865	52%	0.517	S	S	*	.	H	α-helix	trans	-44.7	-29.2	179.1	-69.8	-178.7	179.8	176.6	0	112.3	V738 K744	V738-K740 PolarHBondContact O-N 3.08Å; K740-K744 WeakPolarHBondContact O-CB 3.3Å; K740-K744 PolarHBondContact O-N 2.83Å
741	K	59.7	Low	55.1	Low	154 Å²	154	111.7 Å²	111.7	67%	0.67	54%	0.536	S	S	*	.	H	α-helix	trans	-70.8	-41.5	174.5	-153.7	173.7	-171.1	174.1	0	114.1	S739 R745	S739-K741 CarbonylContact O-C 3.55Å; S739-K741 PolarHBondContact O-N 3.4Å; S739-K741 PolarHBondContact OG-N 3.23Å; K741-R745 WeakPolarHBondContact O-CG 3.36Å; K741-R745 PolarHBondContact O-N 3.41Å
742	Q	55.7	Low	56.7	Low	117 Å²	117	117.3 Å²	117.3	55%	0.547	56%	0.556	S	S	.	*	H	α-helix	trans	-76.5	-35.5	178.1	-171.7	177	-26.9	0	0	111.2	V738 S739 K744 R745 Q746	V738-Q742 VanDerWaalsContact CG1-C 3.46Å; V738-Q742 HydrophobicContact CG1-CB 3.36Å; V738-Q742 HydrophobicContact CG1-CG 3.38Å; S739-Q742 WeakPolarHBondContact O-CA 3.48Å; S739-Q742 PolarHBondContact O-N 3.29Å; Q742-K744 VanDerWaalsContact C-N 3.34Å; Q742-K744 PolarHBondContact O-N 3.45Å; Q742-R745 CarbonylContact O-C 3.6Å; Q742-R745 WeakPolarHBondContact O-CA 3.39Å; Q742-R745 WeakPolarHBondContact O-CB 3.24Å; Q742-R745 PolarHBondContact O-N 2.89Å; Q742-Q746 PolarHBondContact O-N 3.23Å
743	L	65	Low	58.7	Low	66 Å²	66	117 Å²	117	35%	0.346	56%	0.555	S	S	.	*	H	α-helix	trans	-66.2	-39.9	171	-166.4	72	0	0	0	110.5	V738 S739 R745 Q746 R747	V738-L743 HydrophobicContact CB-CB 4.42Å; V738-L743 HydrophobicContact CG1-CB 4.16Å; V738-L743 VanDerWaalsContact CG1-N 3.26Å; S739-L743 PolarHBondContact O-N 3.01Å; L743-R745 VanDerWaalsContact C-N 3.3Å; L743-R745 PolarHBondContact O-N 3.31Å; L743-Q746 PolarHBondContact O-N 2.86Å; L743-R747 WeakPolarHBondContact O-CB 3.26Å; L743-R747 WeakPolarHBondContact O-CG 3.17Å; L743-R747 PolarHBondContact O-N 3.01Å
744	K	70.3	Confident	60.8	Low	136 Å²	136	118.7 Å²	118.7	59%	0.591	57%	0.566	S	S	*	*	H	α-helix	trans	-62.5	-34.1	170.8	-173.9	174	-174	171.7	0	112.3	K740 Q742 K748	K740-K744 WeakPolarHBondContact O-CB 3.3Å; K740-K744 PolarHBondContact O-N 2.83Å; Q742-K744 VanDerWaalsContact C-N 3.34Å; Q742-K744 PolarHBondContact O-N 3.45Å; K744-K748 VanDerWaalsContact O-CB 3.22Å; K744-K748 WeakPolarHBondContact O-CB 3.39Å; K744-K748 WeakPolarHBondContact O-CG 3.35Å; K744-K748 PolarHBondContact O-N 2.98Å
745	R	73.2	Confident	62.9	Low	181 Å²	181	122 Å²	122	68%	0.683	58%	0.575	S	S	*	*	H	α-helix	trans	-69.5	-41.6	173.1	-79.1	174.9	171.1	-172.7	-1.7	111.5	K741 Q742 L743 K748 R749	K741-R745 WeakPolarHBondContact O-CG 3.36Å; K741-R745 PolarHBondContact O-N 3.41Å; Q742-R745 CarbonylContact O-C 3.6Å; Q742-R745 WeakPolarHBondContact O-CA 3.39Å; Q742-R745 WeakPolarHBondContact O-CB 3.24Å; Q742-R745 PolarHBondContact O-N 2.89Å; L743-R745 VanDerWaalsContact C-N 3.3Å; L743-R745 PolarHBondContact O-N 3.31Å; R745-K748 PolarHBondContact O-N 2.99Å; R745-R749 WeakPolarHBondContact O-CB 3.47Å; R745-R749 PolarHBondContact O-N 3.04Å
746	Q	67.1	Low	65	Low	93 Å²	93	121.7 Å²	121.7	44%	0.435	56%	0.561	S	S	.	*	H	α-helix	trans	-66.4	-51	179.1	-170.7	173.8	2.2	0	0	111.5	Q742 L743 K748 R749 E750	Q742-Q746 PolarHBondContact O-N 3.23Å; L743-Q746 PolarHBondContact O-N 2.86Å; Q746-K748 VanDerWaalsContact C-N 3.28Å; Q746-K748 PolarHBondContact O-N 3.4Å; Q746-R749 CarbonylContact O-C 3.57Å; Q746-R749 WeakPolarHBondContact O-CA 3.35Å; Q746-R749 WeakPolarHBondContact O-CB 3.48Å; Q746-R749 PolarHBondContact O-N 2.81Å; Q746-E750 PolarHBondContact O-N 2.92Å
747	R	77.9	Confident	66.9	Low	154 Å²	154	122.9 Å²	122.9	58%	0.581	56%	0.558	S	S	*	*	H	α-helix	trans	-57.1	-40.4	172.6	-72.2	-178.1	179	-179.5	0.2	112.1	L743 R749 Q751	L743-R747 WeakPolarHBondContact O-CB 3.26Å; L743-R747 WeakPolarHBondContact O-CG 3.17Å; L743-R747 PolarHBondContact O-N 3.01Å; R747-R749 VanDerWaalsContact C-N 3.32Å; R747-R749 PolarHBondContact O-N 3.36Å; R747-Q751 VanDerWaalsContact O-CB 3.28Å; R747-Q751 WeakPolarHBondContact O-CB 3.42Å; R747-Q751 VanDerWaalsContact O-CG 3.26Å; R747-Q751 WeakPolarHBondContact O-CG 3.04Å; R747-Q751 PolarHBondContact O-N 3.44Å
748	K	77.8	Confident	68.9	Low	132 Å²	132	124.6 Å²	124.6	57%	0.574	55%	0.549	S	S	*	.	H	α-helix	trans	-63.3	-36.8	172.7	-84.2	-176.6	175.8	-167.5	0	112.4	K744 R745 Q746 W752	K744-K748 VanDerWaalsContact O-CB 3.22Å; K744-K748 WeakPolarHBondContact O-CB 3.39Å; K744-K748 WeakPolarHBondContact O-CG 3.35Å; K744-K748 PolarHBondContact O-N 2.98Å; R745-K748 PolarHBondContact O-N 2.99Å; Q746-K748 VanDerWaalsContact C-N 3.28Å; Q746-K748 PolarHBondContact O-N 3.4Å; K748-W752 WeakPolarHBondContact O-CB 3.19Å; K748-W752 PolarHBondContact O-N 2.75Å
749	R	73.9	Confident	70.7	Confident	172 Å²	172	129.9 Å²	129.9	65%	0.649	57%	0.565	S	S	*	*	H	α-helix	trans	-70.9	-43.4	178.3	-172.1	173.9	-177.2	-103.6	4.4	111.2	R745 Q746 R747 W752 L753	R745-R749 WeakPolarHBondContact O-CB 3.47Å; R745-R749 PolarHBondContact O-N 3.04Å; Q746-R749 CarbonylContact O-C 3.57Å; Q746-R749 WeakPolarHBondContact O-CA 3.35Å; Q746-R749 WeakPolarHBondContact O-CB 3.48Å; Q746-R749 PolarHBondContact O-N 2.81Å; R747-R749 VanDerWaalsContact C-N 3.32Å; R747-R749 PolarHBondContact O-N 3.36Å; R749-W752 CarbonylContact O-C 3.54Å; R749-W752 WeakPolarHBondContact O-CB 3.39Å; R749-W752 PolarHBondContact O-N 2.81Å; R749-L753 HydrophobicContact CG-CD1 4.38Å; R749-L753 WeakPolarHBondContact O-CB 2.99Å; R749-L753 VanDerWaalsContact O-CG 3.3Å; R749-L753 WeakPolarHBondContact O-CG 3.32Å; R749-L753 PolarHBondContact O-N 3.25Å
750	E	75.8	Confident	72.3	Confident	97 Å²	97	133.4 Å²	133.4	45%	0.453	57%	0.568	S	S	.	*	H	α-helix	trans	-63	-50.7	174.7	-74.8	163.8	-169.8	0	0	111.5	Q746 W752 L753 L754	Q746-E750 PolarHBondContact O-N 2.92Å; E750-W752 PolarHBondContact O-N 2.82Å; E750-L753 PolarHBondContact O-N 3.24Å; E750-L754 PolarHBondContact O-N 2.89Å
751	Q	76.4	Confident	73.3	Confident	104 Å²	104	130.5 Å²	130.5	49%	0.486	56%	0.555	S	S	.	*	H	α-helix	trans	-58.6	-37.7	172.9	-73.7	178.8	0.3	0	0	111.5	R747 R755	R747-Q751 VanDerWaalsContact O-CB 3.28Å; R747-Q751 WeakPolarHBondContact O-CB 3.42Å; R747-Q751 VanDerWaalsContact O-CG 3.26Å; R747-Q751 WeakPolarHBondContact O-CG 3.04Å; R747-Q751 PolarHBondContact O-N 3.44Å; Q751-R755 WeakPolarHBondContact O-CB 3.47Å; Q751-R755 WeakPolarHBondContact O-CG 3.39Å; Q751-R755 PolarHBondContact O-N 2.95Å
752	W	74.9	Confident	74.4	Confident	134 Å²	134	130.4 Å²	130.4	51%	0.508	55%	0.551	S	S	.	*	H	α-helix	trans	-67.6	-37.8	174.7	-177.4	90.4	0	0	0	112.2	K748 R749 E750 R755 R756	K748-W752 WeakPolarHBondContact O-CB 3.19Å; K748-W752 PolarHBondContact O-N 2.75Å; R749-W752 CarbonylContact O-C 3.54Å; R749-W752 WeakPolarHBondContact O-CB 3.39Å; R749-W752 PolarHBondContact O-N 2.81Å; E750-W752 PolarHBondContact O-N 2.82Å; W752-R755 CarbonylContact O-C 3.59Å; W752-R756 WeakPolarHBondContact O-CA 3.44Å; W752-R756 WeakPolarHBondContact O-CB 3.44Å; W752-R756 PolarHBondContact O-N 2.95Å
753	L	73.5	Confident	75.5	Confident	74 Å²	74	129.9 Å²	129.9	39%	0.387	55%	0.548	S	S	.	.	H	α-helix	trans	-67.3	-43.7	176.8	-75	167.7	0	0	0	111.8	R749 E750 R756	R749-L753 HydrophobicContact CG-CD1 4.38Å; R749-L753 WeakPolarHBondContact O-CB 2.99Å; R749-L753 VanDerWaalsContact O-CG 3.3Å; R749-L753 WeakPolarHBondContact O-CG 3.32Å; R749-L753 PolarHBondContact O-N 3.25Å; E750-L753 PolarHBondContact O-N 3.24Å; L753-R756 WeakPolarHBondContact O-CB 3.29Å; L753-R756 PolarHBondContact O-N 3.47Å
754	L	75.5	Confident	76.2	Confident	134 Å²	134	133.2 Å²	133.2	70%	0.702	56%	0.562	S	S	*	*	H	α-helix	trans	-61.4	-55	171.8	-96.2	126.2	0	0	0	111	E750 R756 K757	E750-L754 PolarHBondContact O-N 2.89Å; L754-R756 PolarHBondContact O-N 3.47Å; L754-R756 VanDerWaalsContact O-N 3.16Å; L754-K757 PolarHBondContact O-N 3.09Å; L754-K757 VanDerWaalsContact O-N 3.15Å
755	R	72.1	Confident	76.9	Confident	159 Å²	159	131.8 Å²	131.8	60%	0.6	56%	0.558	S	S	*	*	H	α-helix	trans	-63.8	-21.5	177.7	-70.5	175.4	-178.8	-165.4	1	112.8	Q751 W752 R759	Q751-R755 WeakPolarHBondContact O-CB 3.47Å; Q751-R755 WeakPolarHBondContact O-CG 3.39Å; Q751-R755 PolarHBondContact O-N 2.95Å; W752-R755 CarbonylContact O-C 3.59Å; R755-R759 WeakPolarHBondContact O-CA 3.46Å; R755-R759 WeakPolarHBondContact O-CB 3.33Å; R755-R759 PolarHBondContact O-N 3.5Å
756	R	78.3	Confident	77.4	Confident	94 Å²	94	130.3 Å²	130.3	36%	0.355	55%	0.552	S	S	.	*	H	α-helix	trans	-68.2	-37.4	177.3	175.9	-179.2	-179.2	-179.3	-1	110.7	W752 L753 L754 R760	W752-R756 WeakPolarHBondContact O-CA 3.44Å; W752-R756 WeakPolarHBondContact O-CB 3.44Å; W752-R756 PolarHBondContact O-N 2.95Å; L753-R756 WeakPolarHBondContact O-CB 3.29Å; L753-R756 PolarHBondContact O-N 3.47Å; L754-R756 PolarHBondContact O-N 3.47Å; L754-R756 VanDerWaalsContact O-N 3.16Å; R756-R760 HydrophobicContact CG-CG 4.5Å; R756-R760 WeakPolarHBondContact O-CB 3.14Å; R756-R760 WeakPolarHBondContact O-CG 3.46Å; R756-R760 PolarHBondContact O-N 2.82Å
757	K	73.9	Confident	78.1	Confident	173 Å²	173	133 Å²	133	75%	0.752	56%	0.558	S	S	*	*	H	α-helix	trans	-64.1	-51.2	173.9	-74.1	-173.9	178	-179.7	0	110.4	L754 R760 K761	L754-K757 PolarHBondContact O-N 3.09Å; L754-K757 VanDerWaalsContact O-N 3.15Å; K757-R760 PolarHBondContact O-N 2.89Å; K757-K761 PolarHBondContact O-N 2.94Å
758	E	78.1	Confident	78.3	Confident	139 Å²	139	133.6 Å²	133.6	65%	0.65	57%	0.565	S	S	*	*	H	α-helix	trans	-61.8	-45.6	176.7	-74.6	-174.3	141.4	0	0	113	R760 K761 R762	E758-R760 VanDerWaalsContact C-N 3.33Å; E758-R760 PolarHBondContact O-N 3.21Å; E758-K761 WeakPolarHBondContact O-CB 3.46Å; E758-K761 PolarHBondContact O-N 3.09Å; E758-R762 WeakPolarHBondContact O-CB 3.43Å; E758-R762 PolarHBondContact O-N 2.82Å
759	R	79.4	Confident	78.6	Confident	148 Å²	148	133 Å²	133	56%	0.558	56%	0.564	S	S	*	*	H	α-helix	trans	-61.5	-42.3	177.4	-179.6	-179.1	168.5	175.9	2.2	110.7	R755 K761 R762 E763	R755-R759 WeakPolarHBondContact O-CA 3.46Å; R755-R759 WeakPolarHBondContact O-CB 3.33Å; R755-R759 PolarHBondContact O-N 3.5Å; R759-K761 VanDerWaalsContact C-N 3.33Å; R759-K761 PolarHBondContact O-N 2.99Å; R759-R762 PolarHBondContact O-N 3.27Å; R759-E763 IonicContact NE-OE2 2.69Å; R759-E763 PolarHBondContact NE-OE2 3.25Å; R759-E763 IonicContact NH2-OE2 3.94Å; R759-E763 WeakPolarHBondContact O-CB 3.3Å; R759-E763 PolarHBondContact O-N 3.28Å
760	R	78.7	Confident	78.9	Confident	142 Å²	142	133.6 Å²	133.6	54%	0.536	57%	0.566	S	S	.	*	H	α-helix	trans	-59.9	-44.3	174.9	-82.9	175.4	167.5	-172.7	-8.1	111	R756 K757 E758 Q764	R756-R760 HydrophobicContact CG-CG 4.5Å; R756-R760 WeakPolarHBondContact O-CB 3.14Å; R756-R760 WeakPolarHBondContact O-CG 3.46Å; R756-R760 PolarHBondContact O-N 2.82Å; K757-R760 PolarHBondContact O-N 2.89Å; E758-R760 VanDerWaalsContact C-N 3.33Å; E758-R760 PolarHBondContact O-N 3.21Å; R760-Q764 VanDerWaalsContact O-CB 3.29Å; R760-Q764 WeakPolarHBondContact O-CB 3.49Å; R760-Q764 WeakPolarHBondContact O-CG 3.3Å; R760-Q764 PolarHBondContact O-N 2.88Å
761	K	83.1	Confident	78.9	Confident	138 Å²	138	136.6 Å²	136.6	60%	0.6	57%	0.574	S	S	*	*	H	α-helix	trans	-62.4	-49.9	176.5	-167	178.5	178.9	-176.9	0	111.6	K757 E758 R759 E763 Q764 E765	K757-K761 PolarHBondContact O-N 2.94Å; E758-K761 WeakPolarHBondContact O-CB 3.46Å; E758-K761 PolarHBondContact O-N 3.09Å; R759-K761 VanDerWaalsContact C-N 3.33Å; R759-K761 PolarHBondContact O-N 2.99Å; K761-E763 PolarHBondContact O-N 3.09Å; K761-Q764 WeakPolarHBondContact O-CB 3.39Å; K761-Q764 PolarHBondContact O-N 2.82Å; K761-E765 PolarHBondContact O-N 2.86Å
762	R	83	Confident	79.1	Confident	151 Å²	151	134 Å²	134	57%	0.57	57%	0.57	S	S	*	*	H	α-helix	trans	-64.3	-37.5	178.7	-165.7	176	79.5	169	4	113.1	E758 R759 E765 R766	E758-R762 WeakPolarHBondContact O-CB 3.43Å; E758-R762 PolarHBondContact O-N 2.82Å; R759-R762 PolarHBondContact O-N 3.27Å; R762-E765 PolarHBondContact O-N 3.25Å; R762-R766 WeakPolarHBondContact O-CB 3.31Å; R762-R766 WeakPolarHBondContact O-CG 3.31Å; R762-R766 PolarHBondContact O-N 3.47Å
763	E	78.3	Confident	79.4	Confident	106 Å²	106	133.5 Å²	133.5	50%	0.495	57%	0.573	S	S	.	*	H	α-helix	trans	-74.6	-34.1	178.3	-166.1	164.5	176.4	0	0	111.1	R759 K761 R767	R759-E763 IonicContact NE-OE2 2.69Å; R759-E763 PolarHBondContact NE-OE2 3.25Å; R759-E763 IonicContact NH2-OE2 3.94Å; R759-E763 WeakPolarHBondContact O-CB 3.3Å; R759-E763 PolarHBondContact O-N 3.28Å; K761-E763 PolarHBondContact O-N 3.09Å; E763-R767 WeakPolarHBondContact O-CB 3.21Å; E763-R767 PolarHBondContact O-N 3.27Å
764	Q	80.3	Confident	79.6	Confident	137 Å²	137	131.2 Å²	131.2	64%	0.64	57%	0.565	S	S	*	*	H	α-helix	trans	-62.8	-45.6	167.9	-79.2	176	-2.9	0	0	111.7	R760 K761 R767 K768	R760-Q764 VanDerWaalsContact O-CB 3.29Å; R760-Q764 WeakPolarHBondContact O-CB 3.49Å; R760-Q764 WeakPolarHBondContact O-CG 3.3Å; R760-Q764 PolarHBondContact O-N 2.88Å; K761-Q764 WeakPolarHBondContact O-CB 3.39Å; K761-Q764 PolarHBondContact O-N 2.82Å; Q764-R767 PolarHBondContact O-N 3.19Å; Q764-K768 WeakPolarHBondContact O-CB 3.27Å; Q764-K768 PolarHBondContact O-N 2.91Å
765	E	83.6	Confident	79.6	Confident	106 Å²	106	135 Å²	135	50%	0.495	57%	0.57	S	S	.	*	H	α-helix	trans	-62.6	-49.3	175.2	-87.8	166.4	177.6	0	0	112.3	K761 R762 R767 K768 Q769	K761-E765 PolarHBondContact O-N 2.86Å; R762-E765 PolarHBondContact O-N 3.25Å; E765-R767 VanDerWaalsContact C-N 3.26Å; E765-R767 PolarHBondContact O-N 3.35Å; E765-K768 CarbonylContact O-C 3.58Å; E765-K768 WeakPolarHBondContact O-CA 3.09Å; E765-K768 WeakPolarHBondContact O-CB 3.45Å; E765-K768 PolarHBondContact O-N 2.87Å; E765-Q769 PolarHBondContact O-N 3.07Å
766	R	85	Confident	80	Confident	149 Å²	149	136.5 Å²	136.5	56%	0.562	58%	0.581	S	S	*	*	H	α-helix	trans	-58.2	-38.6	174.8	-82	-179.2	160.8	-165	-5.7	112.4	R762 Q769 R770	R762-R766 WeakPolarHBondContact O-CB 3.31Å; R762-R766 WeakPolarHBondContact O-CG 3.31Å; R762-R766 PolarHBondContact O-N 3.47Å; R766-Q769 PolarHBondContact O-N 3.14Å; R766-R770 WeakPolarHBondContact O-CB 3.33Å; R766-R770 WeakPolarHBondContact O-CG 3.38Å; R766-R770 PolarHBondContact O-N 3.12Å
767	R	80.5	Confident	80	Confident	150 Å²	150	135.3 Å²	135.3	57%	0.566	59%	0.591	S	S	*	*	H	α-helix	trans	-71.7	-32.8	177.3	-175.7	175.6	154	-167.8	-7.4	111.6	E763 Q764 E765 R771	E763-R767 WeakPolarHBondContact O-CB 3.21Å; E763-R767 PolarHBondContact O-N 3.27Å; Q764-R767 PolarHBondContact O-N 3.19Å; E765-R767 VanDerWaalsContact C-N 3.26Å; E765-R767 PolarHBondContact O-N 3.35Å; R767-R771 VanDerWaalsContact O-CB 3.28Å; R767-R771 WeakPolarHBondContact O-CB 3.26Å; R767-R771 VanDerWaalsContact O-CG 3.24Å; R767-R771 WeakPolarHBondContact O-CG 3.35Å; R767-R771 PolarHBondContact O-N 2.89Å
768	K	82.9	Confident	79.6	Confident	167 Å²	167	130.2 Å²	130.2	73%	0.726	59%	0.587	S	S	*	*	H	α-helix	trans	-66.6	-44	171.5	-169.6	179.8	177.7	-176.3	0	110.6	Q764 E765 R771 A772	Q764-K768 WeakPolarHBondContact O-CB 3.27Å; Q764-K768 PolarHBondContact O-N 2.91Å; E765-K768 CarbonylContact O-C 3.58Å; E765-K768 WeakPolarHBondContact O-CA 3.09Å; E765-K768 WeakPolarHBondContact O-CB 3.45Å; E765-K768 PolarHBondContact O-N 2.87Å; K768-R771 PolarHBondContact O-N 3.45Å; K768-A772 WeakPolarHBondContact O-CB 3.28Å; K768-A772 PolarHBondContact O-N 3.06Å
769	Q	83.1	Confident	78.7	Confident	119 Å²	119	129.5 Å²	129.5	56%	0.556	58%	0.584	S	S	*	*	H	α-helix	trans	-62.9	-52.4	174.6	-74.3	173.4	-16.8	0	0	112.1	E765 R766 R771 A772 E773	E765-Q769 PolarHBondContact O-N 3.07Å; R766-Q769 PolarHBondContact O-N 3.14Å; Q769-R771 VanDerWaalsContact C-N 3.27Å; Q769-R771 PolarHBondContact O-N 2.9Å; Q769-A772 CarbonylContact O-C 3.56Å; Q769-A772 WeakPolarHBondContact O-CA 3.42Å; Q769-A772 WeakPolarHBondContact O-CB 3.32Å; Q769-A772 PolarHBondContact O-N 3.18Å; Q769-E773 WeakPolarHBondContact O-CG 3.26Å; Q769-E773 PolarHBondContact O-N 3.13Å
770	R	80.8	Confident	77.5	Confident	185 Å²	185	128.4 Å²	128.4	70%	0.698	60%	0.596	S	S	*	*	H	α-helix	trans	-57.8	-37.4	175.6	-79.1	-173.7	179.2	-161.4	-1.6	113.1	R766 A774	R766-R770 WeakPolarHBondContact O-CB 3.33Å; R766-R770 WeakPolarHBondContact O-CG 3.38Å; R766-R770 PolarHBondContact O-N 3.12Å; R770-A774 WeakPolarHBondContact O-CB 3.26Å; R770-A774 PolarHBondContact O-N 3.48Å
771	R	76.1	Confident	76.4	Confident	160 Å²	160	127.6 Å²	127.6	60%	0.604	61%	0.607	S	S	*	*	H	α-helix	trans	-67.2	-37.4	174.3	-82.2	175.5	170.1	-168.4	-8.3	111.8	R767 K768 Q769 R775	R767-R771 VanDerWaalsContact O-CB 3.28Å; R767-R771 WeakPolarHBondContact O-CB 3.26Å; R767-R771 VanDerWaalsContact O-CG 3.24Å; R767-R771 WeakPolarHBondContact O-CG 3.35Å; R767-R771 PolarHBondContact O-N 2.89Å; K768-R771 PolarHBondContact O-N 3.45Å; Q769-R771 VanDerWaalsContact C-N 3.27Å; Q769-R771 PolarHBondContact O-N 2.9Å; R771-R775 WeakPolarHBondContact O-CB 3.36Å; R771-R775 PolarHBondContact O-N 2.77Å
772	A	79.3	Confident	74.9	Confident	50 Å²	50	130.4 Å²	130.4	41%	0.413	62%	0.619	S	S	.	*	H	α-helix	trans	-68.9	-41.4	175.2	0	0	0	0	0	111.6	K768 Q769 R775 K776	K768-A772 WeakPolarHBondContact O-CB 3.28Å; K768-A772 PolarHBondContact O-N 3.06Å; Q769-A772 CarbonylContact O-C 3.56Å; Q769-A772 WeakPolarHBondContact O-CA 3.42Å; Q769-A772 WeakPolarHBondContact O-CB 3.32Å; Q769-A772 PolarHBondContact O-N 3.18Å; A772-R775 PolarHBondContact O-N 3.31Å; A772-K776 WeakPolarHBondContact O-CG 3.24Å; A772-K776 PolarHBondContact O-N 2.9Å
773	E	81.2	Confident	73.3	Confident	122 Å²	122	127.2 Å²	127.2	57%	0.57	62%	0.618	S	S	*	*	H	α-helix	trans	-64.8	-49.9	174.8	-72.8	166.9	-177.3	0	0	111.8	Q769 R775 K776 A777	Q769-E773 WeakPolarHBondContact O-CG 3.26Å; Q769-E773 PolarHBondContact O-N 3.13Å; E773-R775 VanDerWaalsContact C-N 3.26Å; E773-R775 PolarHBondContact O-N 2.85Å; E773-K776 CarbonylContact O-C 3.5Å; E773-K776 WeakPolarHBondContact O-CA 3.35Å; E773-K776 WeakPolarHBondContact O-CB 3.35Å; E773-K776 PolarHBondContact O-N 3.11Å; E773-A777 WeakPolarHBondContact O-CB 3.5Å; E773-A777 PolarHBondContact O-N 2.9Å
774	A	78	Confident	72	Confident	26 Å²	26	124.1 Å²	124.1	22%	0.215	62%	0.615	C	S	.	*	H	α-helix	trans	-59.6	-37.5	175.6	0	0	0	0	0	111.9	R770 A777 G778 E779	R770-A774 WeakPolarHBondContact O-CB 3.26Å; R770-A774 PolarHBondContact O-N 3.48Å; A774-A777 PolarHBondContact O-N 2.69Å; A774-G778 PolarHBondContact O-N 2.89Å; A774-G778 VanDerWaalsContact O-N 3.14Å; A774-E779 HydrophobicContact CB-CB 4.2Å; A774-E779 PolarHBondContact O-N 3.48Å
775	R	77.1	Confident	70.5	Confident	215 Å²	215	127.6 Å²	127.6	81%	0.811	62%	0.622	S	S	*	*	H	α-helix	trans	-66.8	-35.8	173.9	-174	177.6	176.7	-174.7	-1.2	112.3	R771 A772 E773	R771-R775 WeakPolarHBondContact O-CB 3.36Å; R771-R775 PolarHBondContact O-N 2.77Å; A772-R775 PolarHBondContact O-N 3.31Å; E773-R775 VanDerWaalsContact C-N 3.26Å; E773-R775 PolarHBondContact O-N 2.85Å
776	K	79.2	Confident	69	Low	190 Å²	190	131.8 Å²	131.8	83%	0.826	64%	0.639	S	S	*	*	H	α-helix	trans	-71.3	-35	172.2	-75.6	-178.7	178.1	-173.2	0	112.4	A772 E773 G778	A772-K776 WeakPolarHBondContact O-CG 3.24Å; A772-K776 PolarHBondContact O-N 2.9Å; E773-K776 CarbonylContact O-C 3.5Å; E773-K776 WeakPolarHBondContact O-CA 3.35Å; E773-K776 WeakPolarHBondContact O-CB 3.35Å; E773-K776 PolarHBondContact O-N 3.11Å; K776-G778 VanDerWaalsContact C-N 3.27Å; K776-G778 PolarHBondContact O-N 2.72Å
777	A	79.7	Confident	67.4	Low	69 Å²	69	128.3 Å²	128.3	57%	0.57	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-2.3	179.8	0	0	0	0	0	114	E773 A774 E779	E773-A777 WeakPolarHBondContact O-CB 3.5Å; E773-A777 PolarHBondContact O-N 2.9Å; A774-A777 PolarHBondContact O-N 2.69Å; A777-E779 HydrophobicContact CB-CG 4.24Å; A777-E779 PolarHBondContact O-N 3.34Å
778	G	64.3	Low	66.1	Low	65 Å²	65	124 Å²	124	67%	0.67	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.9	16.4	-177.9	0	0	0	0	0	114.3	A774 K776	A774-G778 PolarHBondContact O-N 2.89Å; A774-G778 VanDerWaalsContact O-N 3.14Å; K776-G778 VanDerWaalsContact C-N 3.27Å; K776-G778 PolarHBondContact O-N 2.72Å
779	E	59.8	Low	64.9	Low	125 Å²	125	122 Å²	122	58%	0.584	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-68.9	135.2	178.9	-71.4	-175.7	177.5	0	0	110.6	A774 A777 T781	A774-E779 HydrophobicContact CB-CB 4.2Å; A774-E779 PolarHBondContact O-N 3.48Å; A777-E779 HydrophobicContact CB-CG 4.24Å; A777-E779 PolarHBondContact O-N 3.34Å; E779-T781 PolarHBondContact O-N 3.22Å; E779-T781 VanDerWaalsContact O-N 3.14Å
780	P	53.7	Low	63.9	Low	125 Å²	125	125.7 Å²	125.7	81%	0.812	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-61	121.6	178.7	22.2	-30.3	0	0	0	110.2	K782	P780-K782 PolarHBondContact O-N 3.45Å
781	T	56.4	Low	63.7	Low	125 Å²	125	118.2 Å²	118.2	77%	0.767	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-59.3	127.5	176.5	49.1	0	0	0	0	110.1	E779	E779-T781 PolarHBondContact O-N 3.22Å; E779-T781 VanDerWaalsContact O-N 3.14Å
782	K	50.1	Low	64.1	Low	196 Å²	196	113.4 Å²	113.4	85%	0.852	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-48.7	132.9	172.1	-71.3	-176.6	179.3	-178.1	0	109.3	P780 G784	P780-K782 PolarHBondContact O-N 3.45Å; K782-G784 PolarHBondContact O-N 3.32Å
783	P	49.4	Very low	64.7	Low	84 Å²	84	111.3 Å²	111.3	55%	0.545	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-53	130.1	-179.2	-20.6	27.6	0	0	0	110.4	T787	P783-T787 VanDerWaalsContact C-OG1 3.23Å; P783-T787 WeakPolarHBondContact CA-OG1 3.21Å; P783-T787 HydrophobicContact CB-CG2 4.25Å; P783-T787 WeakPolarHBondContact CB-OG1 3.27Å
784	G	50.9	Low	65	Low	42 Å²	42	113.4 Å²	113.4	43%	0.433	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-58.9	165.7	177.9	0	0	0	0	0	113.3	K782 K786 T787 L788	K782-G784 PolarHBondContact O-N 3.32Å; G784-K786 PolarHBondContact O-N 3.2Å; G784-T787 WeakPolarHBondContact CA-OG1 3.1Å; G784-T787 PolarHBondContact N-OG1 3.25Å; G784-T787 WeakPolarHBondContact O-CA 3.35Å; G784-T787 PolarHBondContact O-N 3.28Å; G784-T787 PolarHBondContact O-OG1 3.43Å; G784-L788 PolarHBondContact O-N 2.98Å
785	R	50.6	Low	65.4	Low	210 Å²	210	115.4 Å²	115.4	79%	0.792	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	-27.7	179	-169.3	-179.6	-175.8	-168.4	1.7	113.3
786	K	50.5	Low	66.1	Low	194 Å²	194	105.2 Å²	105.2	84%	0.843	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-39.4	174.5	-69	-172	176.9	-175	0	112.4	G784 L788 K789	G784-K786 PolarHBondContact O-N 3.2Å; K786-L788 VanDerWaalsContact C-N 3.34Å; K786-L788 PolarHBondContact O-N 3.07Å; K786-K789 WeakPolarHBondContact O-CB 3.21Å; K786-K789 PolarHBondContact O-N 3.5Å; K786-K789 VanDerWaalsContact O-N 3.16Å
787	T	53.1	Low	66.6	Low	75 Å²	75	103.9 Å²	103.9	46%	0.46	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-70.3	-22.9	175.3	14.1	0	0	0	0	114.3	P783 G784 K789 R790	P783-T787 VanDerWaalsContact C-OG1 3.23Å; P783-T787 WeakPolarHBondContact CA-OG1 3.21Å; P783-T787 HydrophobicContact CB-CG2 4.25Å; P783-T787 WeakPolarHBondContact CB-OG1 3.27Å; G784-T787 WeakPolarHBondContact CA-OG1 3.1Å; G784-T787 PolarHBondContact N-OG1 3.25Å; G784-T787 WeakPolarHBondContact O-CA 3.35Å; G784-T787 PolarHBondContact O-N 3.28Å; G784-T787 PolarHBondContact O-OG1 3.43Å; T787-K789 PolarHBondContact O-N 3.14Å; T787-R790 WeakPolarHBondContact O-CG 3.34Å
788	L	52.5	Low	67.2	Low	59 Å²	59	101.4 Å²	101.4	31%	0.309	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-78.6	8.2	170.9	-61	167.6	0	0	0	112.6	G784 K786 R833	G784-L788 PolarHBondContact O-N 2.98Å; K786-L788 VanDerWaalsContact C-N 3.34Å; K786-L788 PolarHBondContact O-N 3.07Å; L788-R833 HydrophobicContact CD2-CG 3.67Å
789	K	58.1	Low	68.7	Low	127 Å²	127	104.9 Å²	104.9	55%	0.552	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-119.6	38.2	178.3	-65.5	-174.4	173.9	-164.5	0	111.5	K786 T787 T791 R832	K786-K789 WeakPolarHBondContact O-CB 3.21Å; K786-K789 PolarHBondContact O-N 3.5Å; K786-K789 VanDerWaalsContact O-N 3.16Å; T787-K789 PolarHBondContact O-N 3.14Å; K789-T791 PolarHBondContact O-N 2.87Å; K789-R832 VanDerWaalsContact CB-NH2 3.32Å
790	R	62.4	Low	70.5	Confident	196 Å²	196	99 Å²	99	74%	0.74	49%	0.493	S	S	*	.	S	Bend	trans	-55.4	-46.3	-171.7	-95.4	175.2	146.9	-178.4	-8.3	113.8	T787	T787-R790 WeakPolarHBondContact O-CG 3.34Å
791	T	75	Confident	72.6	Confident	28 Å²	28	95.9 Å²	95.9	17%	0.172	46%	0.464	C	S	.	.			trans	-142.9	118.8	-169.2	-43.8	0	0	0	0	108.6	K789 S795 R832 A835 P837	K789-T791 PolarHBondContact O-N 2.87Å; T791-S795 WeakPolarHBondContact CG2-OG 3.25Å; T791-R832 PolarHBondContact O-NH1 2.62Å; T791-A835 PolarHBondContact OG1-O 3.14Å; T791-P837 WeakPolarHBondContact O-CG 3.47Å
792	P	85.2	Confident	74.6	Confident	59 Å²	59	89.9 Å²	89.9	38%	0.383	43%	0.428	S	S	.	.			trans	-63.7	151.4	163.9	21.8	-29	0	0	0	111.3	E794 S795 S796 D863	P792-E794 PolarHBondContact O-N 3.36Å; P792-S795 WeakPolarHBondContact CD-OG 3.5Å; P792-S795 WeakPolarHBondContact CG-OG 3.49Å; P792-S795 PolarHBondContact O-N 3.37Å; P792-S795 PolarHBondContact O-OG 3.48Å; P792-S796 PolarHBondContact O-N 2.82Å; P792-D863 WeakPolarHBondContact CA-OD2 3.15Å
793	M	91.7	Very high	76.9	Confident	5 Å²	5	80.6 Å²	80.6	3%	0.025	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-51.3	-41	-179.5	-81.9	-179.1	21.3	0	0	112.5	S795 S796 P837 Q839 M840 D863 L865	M793-S795 VanDerWaalsContact C-N 3.27Å; M793-S795 PolarHBondContact O-N 3.37Å; M793-S796 VanDerWaalsContact O-CB 3.23Å; M793-S796 WeakPolarHBondContact O-CB 3.42Å; M793-S796 PolarHBondContact O-N 3.26Å; M793-P837 HydrophobicContact CG-CB 4.24Å; M793-Q839 PolarHBondContact O-NE2 3.23Å; M793-M840 VanDerWaalsContact CE-N 3.33Å; M793-M840 WeakPolarHBondContact CE-O 3.49Å; M793-M840 HydrophobicContact SD-CB 3.81Å; M793-M840 PolarHBondContact SD-N 3.41Å; M793-M840 VanDerWaalsContact SD-N 3.41Å; M793-D863 PolarHBondContact N-OD1 3.36Å; M793-D863 PolarHBondContact N-OD2 2.77Å; M793-D863 VanDerWaalsContact SD-O 3.41Å; M793-L865 HydrophobicContact CE-CD1 3.94Å; M793-L865 HydrophobicContact CE-CG 3.92Å
794	E	87.8	Confident	79.2	Confident	167 Å²	167	76.6 Å²	76.6	78%	0.78	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-54.6	-41	177.5	-175.7	176.8	-169.6	0	0	113	P792 R799	P792-E794 PolarHBondContact O-N 3.36Å; E794-R799 PolarHBondContact O-NH1 2.82Å
795	S	86.6	Confident	81.5	Confident	67 Å²	67	74.7 Å²	74.7	47%	0.469	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-90	0.3	-180	67.4	0	0	0	0	114.5	T791 P792 M793	T791-S795 WeakPolarHBondContact CG2-OG 3.25Å; P792-S795 WeakPolarHBondContact CD-OG 3.5Å; P792-S795 WeakPolarHBondContact CG-OG 3.49Å; P792-S795 PolarHBondContact O-N 3.37Å; P792-S795 PolarHBondContact O-OG 3.48Å; M793-S795 VanDerWaalsContact C-N 3.27Å; M793-S795 PolarHBondContact O-N 3.37Å
796	S	91.7	Very high	83.7	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.007	30%	0.304	C	S	.	.			trans	-68.3	140.1	179.9	-174.8	0	0	0	0	111.3	P792 M793 C798 N836 P837	P792-S796 PolarHBondContact O-N 2.82Å; M793-S796 VanDerWaalsContact O-CB 3.23Å; M793-S796 WeakPolarHBondContact O-CB 3.42Å; M793-S796 PolarHBondContact O-N 3.26Å; S796-C798 PolarHBondContact O-N 2.88Å; S796-C798 PolarHBondContact OG-N 2.83Å; S796-C798 VanDerWaalsContact OG-N 3.13Å; S796-N836 VanDerWaalsContact OG-C 3.27Å; S796-N836 WeakPolarHBondContact OG-CA 3.39Å; S796-P837 WeakPolarHBondContact CB-O 3.41Å; S796-P837 WeakPolarHBondContact OG-CD 3.43Å; S796-P837 VanDerWaalsContact OG-N 3.16Å; S796-P837 PolarHBondContact OG-O 3.09Å
797	Q	89.9	Confident	85.7	Confident	163 Å²	163	58.1 Å²	58.1	76%	0.762	28%	0.282	S	S	*	.	S	Bend	trans	-71.8	-21.3	169.8	-61.5	-178.2	-3.9	0	0	111.8	R799	Q797-R799 PolarHBondContact O-N 2.48Å
798	C	92.6	Very high	87.7	Confident	16 Å²	16	54.8 Å²	54.8	11%	0.108	26%	0.261	C	S	.	.			trans	-79	114.2	175.6	-177.8	0	0	0	0	109.9	S796 N836 Q839	S796-C798 PolarHBondContact O-N 2.88Å; S796-C798 PolarHBondContact OG-N 2.83Å; S796-C798 VanDerWaalsContact OG-N 3.13Å; C798-N836 HydrophobicContact CB-CB 3.77Å; C798-Q839 PolarHBondContact O-NE2 2.97Å
799	R	94.2	Very high	89.4	Confident	139 Å²	139	53 Å²	53	53%	0.525	25%	0.252	S	S	.	.			trans	-96.5	-6.4	177.5	-62.1	-57.7	-171.6	-169.9	-0.5	113.8	E794 Q797 R801	E794-R799 PolarHBondContact O-NH1 2.82Å; Q797-R799 PolarHBondContact O-N 2.48Å; R799-R801 PolarHBondContact O-N 2.98Å
800	Q	97.4	Very high	90.9	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.009	26%	0.263	C	S	.	.			trans	-56.2	133	178.2	-172.8	67.4	65.7	0	0	111.1	I838 Q839 L894 D895 K898 T956	Q800-I838 HydrophobicContact CB-CD1 3.97Å; Q800-I838 HydrophobicContact CB-CG1 3.95Å; Q800-I838 HydrophobicContact CG-CD1 3.83Å; Q800-I838 HydrophobicContact CG-CG1 4.28Å; Q800-I838 WeakPolarHBondContact O-CG1 3.32Å; Q800-Q839 WeakPolarHBondContact O-CB 3.41Å; Q800-Q839 PolarHBondContact O-N 2.78Å; Q800-L894 HydrophobicContact CG-CD1 4.29Å; Q800-D895 PolarHBondContact NE2-O 2.85Å; Q800-D895 PolarHBondContact OE1-O 2.67Å; Q800-K898 PolarHBondContact NE2-O 3.03Å; Q800-T956 HydrophobicContact CB-CG2 3.95Å; Q800-T956 HydrophobicContact CG-CG2 4.1Å
801	R	98.1	Very high	92.2	Very high	58 Å²	58	45 Å²	45	22%	0.219	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.6	-179.4	-60.2	179.3	-73.3	179.4	3.4	111.1	R799 Q839 Y841 D879 T897 V899 Y900	R799-R801 PolarHBondContact O-N 2.98Å; R801-Q839 HydrophobicContact CG-CB 4.17Å; R801-Y841 HydrophobicContact CB-CE2 4.25Å; R801-Y841 HydrophobicContact CG-CE2 4.14Å; R801-D879 IonicContact CZ-OD2 3.48Å; R801-D879 IonicContact NH1-OD2 3.24Å; R801-D879 IonicContact NH2-OD2 3.51Å; R801-D879 PolarHBondContact NH2-OD2 2.78Å; R801-T897 PolarHBondContact NH2-O 2.84Å; R801-V899 HydrophobicContact CB-CB 3.97Å; R801-V899 HydrophobicContact CB-CG2 3.94Å; R801-V899 WeakPolarHBondContact O-CA 3.44Å; R801-Y900 PolarHBondContact O-N 2.8Å; R801-Y900 VanDerWaalsContact O-N 3.09Å
802	V	98.4	Very high	93	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.8	172.4	176	0	0	0	0	109.3	I838 Q839 M840 Y841 Y900 I902 F949 L952	V802-I838 HydrophobicContact CB-CD1 4.37Å; V802-I838 HydrophobicContact CG2-CD1 3.41Å; V802-I838 VanDerWaalsContact CG2-CD1 3.41Å; V802-I838 HydrophobicContact CG2-CG1 4.1Å; V802-Q839 PolarHBondContact N-O 2.84Å; V802-M840 WeakPolarHBondContact O-CA 3.38Å; V802-Y841 PolarHBondContact O-N 3.07Å; V802-Y900 WeakPolarHBondContact CA-O 3.32Å; V802-I902 HydrophobicContact CG1-CD1 3.88Å; V802-I902 HydrophobicContact CG1-CG1 4.3Å; V802-F949 HydrophobicContact CB-CE2 4.27Å; V802-F949 HydrophobicContact CG1-CD2 3.76Å; V802-F949 HydrophobicContact CG1-CE2 3.97Å; V802-L952 HydrophobicContact CG1-CD1 3.96Å; V802-L952 HydrophobicContact CG2-CB 4.38Å; V802-L952 HydrophobicContact CG2-CD1 3.88Å
803	A	98.3	Very high	93.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.2	178.5	0	0	0	0	0	111.3	Y841 V843 F875 V899 Y900 V901 I902	A803-Y841 CarbonylContact C-O 3.52Å; A803-Y841 WeakPolarHBondContact CA-O 3.45Å; A803-V843 HydrophobicContact CB-CG1 4.31Å; A803-V843 HydrophobicContact CB-CG2 4.39Å; A803-F875 HydrophobicContact CB-CE2 4.09Å; A803-V899 HydrophobicContact CB-CG2 3.96Å; A803-Y900 PolarHBondContact N-O 2.99Å; A803-V901 HydrophobicContact CB-CG2 4.3Å; A803-V901 CarbonylContact O-C 3.54Å; A803-V901 WeakPolarHBondContact O-CA 3.29Å; A803-I902 PolarHBondContact O-N 2.81Å
804	V	98.4	Very high	92.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.9	166.7	-172.1	0	0	0	0	108.9	M806 L824 Y841 I842 V843 I902 I945	V804-M806 HydrophobicContact CG1-SD 4.16Å; V804-L824 HydrophobicContact CB-CD2 3.93Å; V804-L824 HydrophobicContact CG1-CD2 3.76Å; V804-L824 HydrophobicContact CG2-CD2 3.93Å; V804-Y841 PolarHBondContact N-O 3.03Å; V804-I842 WeakPolarHBondContact O-CA 3.14Å; V804-V843 PolarHBondContact O-N 2.65Å; V804-I902 CarbonylContact C-O 3.54Å; V804-I902 WeakPolarHBondContact CA-O 3.34Å; V804-I902 HydrophobicContact CG2-CB 4.48Å; V804-I945 HydrophobicContact CG1-CG2 3.99Å; V804-I945 HydrophobicContact CG2-CG2 4.29Å
805	D	98	Very high	92.8	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.011	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	112.2	179.2	178.4	5.3	0	0	0	110.8	S807 F808 V843 N844 Y882 V901 I902 G904	D805-S807 VanDerWaalsContact CG-OG 3.29Å; D805-S807 WeakPolarHBondContact OD1-CB 3.25Å; D805-S807 PolarHBondContact OD1-N 2.83Å; D805-S807 PolarHBondContact OD1-OG 2.64Å; D805-S807 PolarHBondContact OD2-OG 3.16Å; D805-F808 HydrophobicContact CB-CE2 4.34Å; D805-F808 WeakPolarHBondContact O-CD2 3.38Å; D805-F808 WeakPolarHBondContact O-CE2 3.18Å; D805-V843 HydrophobicContact CB-CG2 4.25Å; D805-N844 VanDerWaalsContact OD1-CB 3.32Å; D805-N844 WeakPolarHBondContact OD1-CB 3.37Å; D805-N844 PolarHBondContact OD1-ND2 2.76Å; D805-Y882 HydrophobicContact CB-CE2 4.36Å; D805-Y882 WeakPolarHBondContact CB-OH 3.16Å; D805-Y882 PolarHBondContact OD2-OH 3.32Å; D805-Y882 VanDerWaalsContact OD2-OH 3.08Å; D805-V901 HydrophobicContact CB-CG1 3.84Å; D805-I902 PolarHBondContact N-O 3.14Å; D805-G904 WeakPolarHBondContact O-CA 3.35Å; D805-G904 PolarHBondContact O-N 2.77Å
806	M	96.8	Very high	93.1	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.243	C	C	.	.			trans	-96	19.7	-177.7	-67.3	-62	-58.4	0	0	114.1	V804 F808 M812 A820 I821 L824 I842 V843 F845	V804-M806 HydrophobicContact CG1-SD 4.16Å; M806-F808 PolarHBondContact O-N 2.86Å; M806-M812 HydrophobicContact CE-CE 4.49Å; M806-A820 HydrophobicContact CE-CB 4.29Å; M806-I821 HydrophobicContact CE-CD1 4.18Å; M806-L824 HydrophobicContact CE-CD1 4.36Å; M806-L824 HydrophobicContact SD-CD1 3.94Å; M806-I842 HydrophobicContact CG-CG2 3.56Å; M806-V843 PolarHBondContact N-O 3.16Å; M806-F845 HydrophobicContact CB-CD2 3.67Å; M806-F845 HydrophobicContact CB-CE2 4.38Å; M806-F845 HydrophobicContact CB-CG 4.46Å; M806-F845 HydrophobicContact CE-CE2 4.22Å; M806-F845 HydrophobicContact CG-CD2 3.66Å; M806-F845 HydrophobicContact CG-CE2 4.05Å; M806-F845 HydrophobicContact CG-CG 4.38Å
807	S	94.2	Very high	93.1	Very high	54 Å²	54	50 Å²	50	38%	0.378	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	4.9	-179.4	61.5	0	0	0	0	116.1	D805	D805-S807 VanDerWaalsContact CG-OG 3.29Å; D805-S807 WeakPolarHBondContact OD1-CB 3.25Å; D805-S807 PolarHBondContact OD1-N 2.83Å; D805-S807 PolarHBondContact OD1-OG 2.64Å; D805-S807 PolarHBondContact OD2-OG 3.16Å
808	F	95.2	Very high	93.3	Very high	5 Å²	5	46.2 Å²	46.2	2%	0.022	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	18.5	-170	-52.3	-78.2	0	0	0	115.2	D805 M806 S810 L811 M812 Y882 L905 K914 V918	D805-F808 HydrophobicContact CB-CE2 4.34Å; D805-F808 WeakPolarHBondContact O-CD2 3.38Å; D805-F808 WeakPolarHBondContact O-CE2 3.18Å; M806-F808 PolarHBondContact O-N 2.86Å; F808-S810 VanDerWaalsContact C-N 3.25Å; F808-S810 PolarHBondContact O-N 3.08Å; F808-L811 HydrophobicContact CB-CD1 4.49Å; F808-L811 HydrophobicContact CD1-CD1 3.93Å; F808-L811 WeakPolarHBondContact O-CB 3.36Å; F808-L811 PolarHBondContact O-N 2.84Å; F808-M812 HydrophobicContact CB-CE 4.36Å; F808-M812 PolarHBondContact O-N 2.92Å; F808-Y882 WeakPolarHBondContact CE2-OH 3.44Å; F808-Y882 VanDerWaalsContact CZ-OH 3.29Å; F808-Y882 WeakPolarHBondContact CZ-OH 3.38Å; F808-L905 HydrophobicContact CB-CB 4.11Å; F808-L905 HydrophobicContact CB-CD1 3.85Å; F808-L905 HydrophobicContact CB-CG 4.41Å; F808-L905 HydrophobicContact CD1-CD2 4.25Å; F808-L905 HydrophobicContact CD2-CB 3.92Å; F808-L905 HydrophobicContact CG-CB 3.93Å; F808-L905 HydrophobicContact CG-CD1 4.4Å; F808-L905 HydrophobicContact CG-CD2 4.39Å; F808-L905 HydrophobicContact CG-CG 4.46Å; F808-K914 HydrophobicContact CE1-CG 4.17Å; F808-V918 HydrophobicContact CE1-CG2 4.1Å; F808-V918 HydrophobicContact CZ-CG2 4.39Å
809	D	87.9	Confident	93.4	Very high	23 Å²	23	49.1 Å²	49.1	12%	0.123	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-53.1	-41	-178.8	-91.2	16.1	0	0	0	113.4	L811 M812 Q817 S848 S849	D809-L811 PolarHBondContact O-N 2.74Å; D809-M812 PolarHBondContact O-N 3.15Å; D809-Q817 PolarHBondContact O-NE2 3.11Å; D809-S848 WeakPolarHBondContact OD2-CA 3.1Å; D809-S848 PolarHBondContact OD2-N 2.97Å; D809-S848 PolarHBondContact OD2-OG 3.46Å; D809-S849 WeakPolarHBondContact OD1-CB 3.42Å; D809-S849 PolarHBondContact OD1-OG 2.95Å; D809-S849 PolarHBondContact OD2-N 3.01Å
810	S	88.6	Confident	93.6	Very high	112 Å²	112	42.5 Å²	42.5	78%	0.783	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-66.2	-16.9	178.8	64.1	0	0	0	0	114	F808	F808-S810 VanDerWaalsContact C-N 3.25Å; F808-S810 PolarHBondContact O-N 3.08Å
811	L	89.2	Confident	93.5	Very high	43 Å²	43	43.1 Å²	43.1	23%	0.225	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-100.6	-4	-179.5	-53.8	-176.9	0	0	0	112.7	F808 D809 L905 Y911 K914	F808-L811 HydrophobicContact CB-CD1 4.49Å; F808-L811 HydrophobicContact CD1-CD1 3.93Å; F808-L811 WeakPolarHBondContact O-CB 3.36Å; F808-L811 PolarHBondContact O-N 2.84Å; D809-L811 PolarHBondContact O-N 2.74Å; L811-L905 HydrophobicContact CB-CD1 4.08Å; L811-Y911 HydrophobicContact CB-CD2 4.29Å; L811-Y911 HydrophobicContact CB-CE2 3.9Å; L811-Y911 HydrophobicContact CD2-CE1 4.36Å; L811-Y911 HydrophobicContact CD2-CE2 4.46Å; L811-K914 HydrophobicContact CD1-CD 4.38Å; L811-K914 HydrophobicContact CD1-CG 4.03Å
812	M	91.8	Very high	93.3	Very high	12 Å²	12	48.4 Å²	48.4	6%	0.059	24%	0.237	C	C	.	.	S	Bend	trans	-115.6	135.9	-177.3	-69.6	-169.8	-75.9	0	0	111.1	M806 F808 D809 D816 Q817 A820 G904 L905 V906	M806-M812 HydrophobicContact CE-CE 4.49Å; F808-M812 HydrophobicContact CB-CE 4.36Å; F808-M812 PolarHBondContact O-N 2.92Å; D809-M812 PolarHBondContact O-N 3.15Å; M812-D816 HydrophobicContact CB-CB 4.09Å; M812-D816 HydrophobicContact CG-CB 4.37Å; M812-Q817 HydrophobicContact CB-CG 3.67Å; M812-Q817 HydrophobicContact CE-CG 4.32Å; M812-Q817 PolarHBondContact O-NE2 2.85Å; M812-A820 HydrophobicContact CE-CB 4.38Å; M812-A820 HydrophobicContact SD-CB 4.02Å; M812-G904 VanDerWaalsContact CE-O 3.29Å; M812-G904 WeakPolarHBondContact CE-O 3.27Å; M812-L905 HydrophobicContact CG-CD1 3.67Å; M812-L905 HydrophobicContact SD-CD1 4.28Å; M812-V906 HydrophobicContact SD-CB 4.18Å; M812-V906 PolarHBondContact SD-N 2.6Å
813	S	88.4	Confident	93.3	Very high	57 Å²	57	49.6 Å²	49.6	40%	0.399	24%	0.243	S	C	.	.			trans	-67	158.9	164.9	77	0	0	0	0	110.3	R815 D816 Q817	S813-R815 PolarHBondContact O-N 3Å; S813-R815 VanDerWaalsContact O-N 3.09Å; S813-R815 PolarHBondContact OG-N 3.03Å; S813-D816 CarbonylContact O-C 3.43Å; S813-D816 WeakPolarHBondContact O-CA 3.46Å; S813-D816 PolarHBondContact O-N 3.22Å; S813-D816 VanDerWaalsContact OG-CG 3.28Å; S813-D816 PolarHBondContact OG-N 2.77Å; S813-D816 PolarHBondContact OG-OD2 2.87Å; S813-Q817 WeakPolarHBondContact O-CG 3.36Å; S813-Q817 PolarHBondContact O-N 3.04Å
814	E	83.7	Confident	93.2	Very high	125 Å²	125	49.6 Å²	49.6	58%	0.584	24%	0.243	S	C	*	.	H	α-helix	trans	-52.6	-36.3	174.8	-169.5	-165.4	158.6	0	0	112.2	D816 Q817 Q818	E814-D816 VanDerWaalsContact C-N 3.31Å; E814-D816 PolarHBondContact O-N 2.82Å; E814-Q817 PolarHBondContact O-N 2.96Å; E814-Q818 VanDerWaalsContact O-CG 3.32Å; E814-Q818 WeakPolarHBondContact O-CG 3.48Å; E814-Q818 PolarHBondContact O-N 2.82Å
815	R	89.3	Confident	93.1	Very high	198 Å²	198	50.4 Å²	50.4	75%	0.747	25%	0.251	S	S	*	.	H	α-helix	trans	-65.8	-35.1	175.5	-68	-175.8	-177.4	170.7	6.1	112.3	S813 K819	S813-R815 PolarHBondContact O-N 3Å; S813-R815 VanDerWaalsContact O-N 3.09Å; S813-R815 PolarHBondContact OG-N 3.03Å; R815-K819 WeakPolarHBondContact O-CG 3.21Å; R815-K819 PolarHBondContact O-N 3.18Å
816	D	93.1	Very high	92.9	Very high	24 Å²	24	55.2 Å²	55.2	13%	0.128	27%	0.273	C	S	.	.	H	α-helix	trans	-80	-36.2	179.2	-61.3	-42.5	0	0	0	111.8	M812 S813 E814 Q818 K819 A820 V906 H908	M812-D816 HydrophobicContact CB-CB 4.09Å; M812-D816 HydrophobicContact CG-CB 4.37Å; S813-D816 CarbonylContact O-C 3.43Å; S813-D816 WeakPolarHBondContact O-CA 3.46Å; S813-D816 PolarHBondContact O-N 3.22Å; S813-D816 VanDerWaalsContact OG-CG 3.28Å; S813-D816 PolarHBondContact OG-N 2.77Å; S813-D816 PolarHBondContact OG-OD2 2.87Å; E814-D816 VanDerWaalsContact C-N 3.31Å; E814-D816 PolarHBondContact O-N 2.82Å; D816-Q818 VanDerWaalsContact C-N 3.33Å; D816-Q818 PolarHBondContact O-N 2.79Å; D816-K819 CarbonylContact O-C 3.52Å; D816-K819 WeakPolarHBondContact O-CA 3.28Å; D816-K819 WeakPolarHBondContact O-CB 3.06Å; D816-K819 PolarHBondContact O-N 2.93Å; D816-K819 IonicContact OD1-NZ 3.22Å; D816-K819 PolarHBondContact OD1-NZ 3.34Å; D816-A820 PolarHBondContact O-N 2.73Å; D816-V906 HydrophobicContact CB-CB 4.22Å; D816-V906 HydrophobicContact CB-CG1 4.23Å; D816-V906 WeakPolarHBondContact CB-O 3.21Å; D816-H908 IonicContact OD1-NE2 3.61Å
817	Q	92.1	Very high	93	Very high	15 Å²	15	55.1 Å²	55.1	7%	0.07	27%	0.273	C	S	.	.	H	α-helix	trans	-56.9	-46.9	168.1	-64.2	173.5	-2.8	0	0	110.6	D809 M812 S813 E814 K819 A820 I821 S848 L852	D809-Q817 PolarHBondContact O-NE2 3.11Å; M812-Q817 HydrophobicContact CB-CG 3.67Å; M812-Q817 HydrophobicContact CE-CG 4.32Å; M812-Q817 PolarHBondContact O-NE2 2.85Å; S813-Q817 WeakPolarHBondContact O-CG 3.36Å; S813-Q817 PolarHBondContact O-N 3.04Å; E814-Q817 PolarHBondContact O-N 2.96Å; Q817-K819 VanDerWaalsContact C-N 3.28Å; Q817-K819 PolarHBondContact O-N 2.73Å; Q817-A820 WeakPolarHBondContact O-CB 3.4Å; Q817-A820 PolarHBondContact O-N 2.89Å; Q817-A820 VanDerWaalsContact O-N 3.08Å; Q817-I821 WeakPolarHBondContact O-CG1 3.35Å; Q817-I821 PolarHBondContact O-N 3.41Å; Q817-S848 PolarHBondContact NE2-OG 3.13Å; Q817-S848 PolarHBondContact OE1-OG 2.82Å; Q817-L852 HydrophobicContact CB-CD1 3.68Å
818	Q	92.5	Very high	93	Very high	83 Å²	83	54.8 Å²	54.8	39%	0.388	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-34.6	173.5	-73	177	13.8	0	0	113.1	E814 D816 R822 L852	E814-Q818 VanDerWaalsContact O-CG 3.32Å; E814-Q818 WeakPolarHBondContact O-CG 3.48Å; E814-Q818 PolarHBondContact O-N 2.82Å; D816-Q818 VanDerWaalsContact C-N 3.33Å; D816-Q818 PolarHBondContact O-N 2.79Å; Q818-R822 WeakPolarHBondContact O-CB 3.41Å; Q818-R822 PolarHBondContact O-N 2.74Å; Q818-R822 VanDerWaalsContact O-N 3.07Å; Q818-L852 HydrophobicContact CG-CD1 3.98Å; Q818-L852 HydrophobicContact CG-CD2 4.23Å
819	K	96.7	Very high	92.8	Very high	77 Å²	77	56.2 Å²	56.2	34%	0.335	28%	0.277	S	S	.	.	H	α-helix	trans	-69.3	-39.6	173.4	-70.1	169.4	-166.7	159.2	0	111.3	R815 D816 Q817 R822 Q823 V906 H908	R815-K819 WeakPolarHBondContact O-CG 3.21Å; R815-K819 PolarHBondContact O-N 3.18Å; D816-K819 CarbonylContact O-C 3.52Å; D816-K819 WeakPolarHBondContact O-CA 3.28Å; D816-K819 WeakPolarHBondContact O-CB 3.06Å; D816-K819 PolarHBondContact O-N 2.93Å; D816-K819 IonicContact OD1-NZ 3.22Å; D816-K819 PolarHBondContact OD1-NZ 3.34Å; Q817-K819 VanDerWaalsContact C-N 3.28Å; Q817-K819 PolarHBondContact O-N 2.73Å; K819-R822 PolarHBondContact O-N 2.66Å; K819-Q823 WeakPolarHBondContact O-CG 3.33Å; K819-Q823 PolarHBondContact O-N 3.32Å; K819-V906 HydrophobicContact CB-CG1 4.14Å; K819-V906 HydrophobicContact CB-CG2 4.4Å; K819-V906 HydrophobicContact CD-CG1 4.01Å; K819-H908 PolarHBondContact NZ-NE2 3.22Å
820	A	96.7	Very high	93.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-50.1	176.8	0	0	0	0	0	110.5	M806 M812 D816 Q817 R822 Q823 L824 V906 I945	M806-A820 HydrophobicContact CE-CB 4.29Å; M812-A820 HydrophobicContact CE-CB 4.38Å; M812-A820 HydrophobicContact SD-CB 4.02Å; D816-A820 PolarHBondContact O-N 2.73Å; Q817-A820 WeakPolarHBondContact O-CB 3.4Å; Q817-A820 PolarHBondContact O-N 2.89Å; Q817-A820 VanDerWaalsContact O-N 3.08Å; A820-R822 VanDerWaalsContact C-N 3.29Å; A820-R822 PolarHBondContact O-N 3.21Å; A820-Q823 WeakPolarHBondContact O-CA 3Å; A820-Q823 WeakPolarHBondContact O-CB 3.5Å; A820-Q823 PolarHBondContact O-N 3.48Å; A820-L824 PolarHBondContact O-N 3.23Å; A820-V906 HydrophobicContact CB-CG2 3.83Å; A820-I945 HydrophobicContact CB-CD1 4.27Å
821	I	95.3	Very high	93.3	Very high	15 Å²	15	51 Å²	51	8%	0.077	24%	0.24	C	C	.	.	H	α-helix	trans	-57.7	-40.9	175.1	-63.5	-46.2	0	0	0	111.8	M806 Q817 Q823 L824 G825 F845 S849 L852 F853	M806-I821 HydrophobicContact CE-CD1 4.18Å; Q817-I821 WeakPolarHBondContact O-CG1 3.35Å; Q817-I821 PolarHBondContact O-N 3.41Å; I821-Q823 VanDerWaalsContact C-N 3.33Å; I821-Q823 PolarHBondContact O-N 3.19Å; I821-L824 HydrophobicContact CD1-CD1 3.85Å; I821-L824 WeakPolarHBondContact O-CB 3.4Å; I821-L824 PolarHBondContact O-N 2.65Å; I821-G825 PolarHBondContact O-N 2.72Å; I821-F845 HydrophobicContact CD1-CE2 3.95Å; I821-F845 HydrophobicContact CD1-CZ 3.92Å; I821-S849 WeakPolarHBondContact CD1-O 3.31Å; I821-L852 HydrophobicContact CG1-CB 4.34Å; I821-F853 HydrophobicContact CD1-CB 3.99Å; I821-F853 HydrophobicContact CD1-CD2 4.43Å; I821-F853 HydrophobicContact CG1-CB 4.48Å; I821-F853 HydrophobicContact CG2-CB 4.38Å; I821-F853 HydrophobicContact CG2-CD2 4.21Å
822	R	95.5	Very high	93.3	Very high	169 Å²	169	50.4 Å²	50.4	64%	0.638	24%	0.235	S	C	*	.	H	α-helix	trans	-63.3	-38	175	-170.3	179.1	-59.3	-178.3	3.1	112.6	Q818 K819 A820 G825 H826	Q818-R822 WeakPolarHBondContact O-CB 3.41Å; Q818-R822 PolarHBondContact O-N 2.74Å; Q818-R822 VanDerWaalsContact O-N 3.07Å; K819-R822 PolarHBondContact O-N 2.66Å; A820-R822 VanDerWaalsContact C-N 3.29Å; A820-R822 PolarHBondContact O-N 3.21Å; R822-G825 PolarHBondContact O-N 2.69Å; R822-H826 PolarHBondContact O-N 2.96Å; R822-H826 VanDerWaalsContact O-N 3.16Å
823	Q	97.4	Very high	93.2	Very high	26 Å²	26	57.6 Å²	57.6	12%	0.121	26%	0.262	C	S	.	.	H	α-helix	trans	-69	-37.5	176	-71.6	177.1	48.1	0	0	112	K819 A820 I821 G825 H826 C827 I945 N946	K819-Q823 WeakPolarHBondContact O-CG 3.33Å; K819-Q823 PolarHBondContact O-N 3.32Å; A820-Q823 WeakPolarHBondContact O-CA 3Å; A820-Q823 WeakPolarHBondContact O-CB 3.5Å; A820-Q823 PolarHBondContact O-N 3.48Å; I821-Q823 VanDerWaalsContact C-N 3.33Å; I821-Q823 PolarHBondContact O-N 3.19Å; Q823-G825 VanDerWaalsContact C-N 3.27Å; Q823-G825 PolarHBondContact O-N 3.2Å; Q823-H826 WeakPolarHBondContact O-CB 3.27Å; Q823-H826 PolarHBondContact O-N 3.27Å; Q823-C827 PolarHBondContact O-N 2.78Å; Q823-C827 PolarHBondContact O-SG 3.01Å; Q823-I945 HydrophobicContact CB-CB 4.22Å; Q823-I945 HydrophobicContact CB-CD1 4.48Å; Q823-N946 HydrophobicContact CB-CB 4.23Å
824	L	97.1	Very high	93.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.6	-41.7	169.7	-66.8	176.7	0	0	0	111.3	V804 M806 A820 I821 H826 C827 Y828 I842 F845 W862	V804-L824 HydrophobicContact CB-CD2 3.93Å; V804-L824 HydrophobicContact CG1-CD2 3.76Å; V804-L824 HydrophobicContact CG2-CD2 3.93Å; M806-L824 HydrophobicContact CE-CD1 4.36Å; M806-L824 HydrophobicContact SD-CD1 3.94Å; A820-L824 PolarHBondContact O-N 3.23Å; I821-L824 HydrophobicContact CD1-CD1 3.85Å; I821-L824 WeakPolarHBondContact O-CB 3.4Å; I821-L824 PolarHBondContact O-N 2.65Å; L824-H826 VanDerWaalsContact C-N 3.27Å; L824-H826 PolarHBondContact O-N 2.78Å; L824-C827 WeakPolarHBondContact O-CB 3.37Å; L824-C827 PolarHBondContact O-N 2.83Å; L824-C827 VanDerWaalsContact O-N 3.11Å; L824-Y828 PolarHBondContact O-N 3.19Å; L824-I842 HydrophobicContact CD1-CD1 4.05Å; L824-I842 HydrophobicContact CD1-CG2 4.43Å; L824-I842 HydrophobicContact CD2-CD1 4.17Å; L824-I842 HydrophobicContact CD2-CG1 4.34Å; L824-F845 HydrophobicContact CD1-CZ 4.43Å; L824-W862 HydrophobicContact CB-CZ3 4.28Å
825	G	95	Very high	93.3	Very high	17 Å²	17	51.8 Å²	51.8	18%	0.175	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-33.2	173.8	0	0	0	0	0	114.1	I821 R822 Q823 A829	I821-G825 PolarHBondContact O-N 2.72Å; R822-G825 PolarHBondContact O-N 2.69Å; Q823-G825 VanDerWaalsContact C-N 3.27Å; Q823-G825 PolarHBondContact O-N 3.2Å; G825-A829 WeakPolarHBondContact O-CB 3.46Å; G825-A829 PolarHBondContact O-N 3.4Å
826	H	95.6	Very high	93.4	Very high	103 Å²	103	45 Å²	45	48%	0.477	22%	0.217	S	C	.	.	H	α-helix	trans	-70.6	-41.7	171.1	-66.2	161.5	0	0	0	112.3	R822 Q823 L824 A829 V830 N946	R822-H826 PolarHBondContact O-N 2.96Å; R822-H826 VanDerWaalsContact O-N 3.16Å; Q823-H826 WeakPolarHBondContact O-CB 3.27Å; Q823-H826 PolarHBondContact O-N 3.27Å; L824-H826 VanDerWaalsContact C-N 3.27Å; L824-H826 PolarHBondContact O-N 2.78Å; H826-A829 PolarHBondContact O-N 2.76Å; H826-V830 WeakPolarHBondContact O-CG1 3.45Å; H826-V830 PolarHBondContact O-N 2.74Å; H826-N946 HydrophobicContact CB-CB 3.92Å
827	C	97.3	Very high	93.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-51.2	175.2	-56.8	0	0	0	0	110.6	Q823 L824 A829 V830 N831 M840 N946 F949	Q823-C827 PolarHBondContact O-N 2.78Å; Q823-C827 PolarHBondContact O-SG 3.01Å; L824-C827 WeakPolarHBondContact O-CB 3.37Å; L824-C827 PolarHBondContact O-N 2.83Å; L824-C827 VanDerWaalsContact O-N 3.11Å; C827-A829 PolarHBondContact O-N 3.07Å; C827-V830 VanDerWaalsContact O-CG1 3.28Å; C827-V830 WeakPolarHBondContact O-CG1 3.36Å; C827-V830 PolarHBondContact O-N 3.15Å; C827-N831 WeakPolarHBondContact O-CB 3.33Å; C827-N831 PolarHBondContact O-N 3.21Å; C827-M840 HydrophobicContact CB-CE 3.68Å; C827-M840 HydrophobicContact CB-SD 4.26Å; C827-N946 VanDerWaalsContact SG-CA 3.57Å; C827-F949 HydrophobicContact CB-CB 4.26Å; C827-F949 HydrophobicContact CB-CD1 3.66Å; C827-F949 HydrophobicContact CB-CD2 4.19Å; C827-F949 HydrophobicContact CB-CE1 4.02Å; C827-F949 HydrophobicContact CB-CG 3.75Å; C827-F949 HydrophobicContact CB-CZ 4.43Å; C827-F949 WeakPolarHBondContact O-CE1 3.28Å
828	Y	94.6	Very high	93.6	Very high	46 Å²	46	43.1 Å²	43.1	18%	0.18	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-49	175.6	170.7	-110.9	0	0	0	111.7	L824 V830 N831 R832 W862 D863	L824-Y828 PolarHBondContact O-N 3.19Å; Y828-V830 VanDerWaalsContact C-N 3.35Å; Y828-V830 PolarHBondContact O-N 2.85Å; Y828-N831 PolarHBondContact O-N 2.92Å; Y828-R832 HydrophobicContact CD2-CG 3.87Å; Y828-R832 HydrophobicContact CE1-CG 4.18Å; Y828-R832 HydrophobicContact CE2-CG 3.38Å; Y828-R832 HydrophobicContact CG-CG 4.43Å; Y828-R832 VanDerWaalsContact O-CG 3.31Å; Y828-R832 WeakPolarHBondContact O-CG 3.49Å; Y828-R832 PolarHBondContact O-N 2.87Å; Y828-W862 AromaticContact CD1-CD1 3.98Å; Y828-W862 AromaticContact CD1-CD2 3.57Å; Y828-W862 HydrophobicContact CD1-CD2 3.57Å; Y828-W862 AromaticContact CD1-CE2 3.69Å; Y828-W862 HydrophobicContact CD1-CE3 4.02Å; Y828-W862 AromaticContact CD1-CG 3.81Å; Y828-W862 HydrophobicContact CD1-CG 3.81Å; Y828-W862 HydrophobicContact CD1-CZ2 4.31Å; Y828-W862 AromaticContact CD1-NE1 3.9Å; Y828-W862 HydrophobicContact CD2-CB 3.96Å; Y828-W862 HydrophobicContact CD2-CD2 4.12Å; Y828-W862 HydrophobicContact CD2-CE3 4.2Å; Y828-W862 HydrophobicContact CD2-CG 4.01Å; Y828-W862 HydrophobicContact CE1-CB 4.38Å; Y828-W862 AromaticContact CE1-CD1 3.56Å; Y828-W862 AromaticContact CE1-CD2 3.96Å; Y828-W862 HydrophobicContact CE1-CD2 3.96Å; Y828-W862 AromaticContact CE1-CG 3.7Å; Y828-W862 HydrophobicContact CE1-CG 3.7Å; Y828-W862 AromaticContact CE1-NE1 3.75Å; Y828-W862 HydrophobicContact CE2-CB 3.74Å; Y828-W862 HydrophobicContact CE2-CD2 4.49Å; Y828-W862 AromaticContact CE2-CG 3.94Å; Y828-W862 HydrophobicContact CE2-CG 3.94Å; Y828-W862 HydrophobicContact CG-CB 4.39Å; Y828-W862 AromaticContact CG-CD2 3.64Å; Y828-W862 HydrophobicContact CG-CD2 3.64Å; Y828-W862 AromaticContact CG-CE3 3.67Å; Y828-W862 HydrophobicContact CG-CE3 3.67Å; Y828-W862 AromaticContact CG-CG 3.95Å; Y828-W862 HydrophobicContact CG-CG 3.95Å; Y828-W862 HydrophobicContact CG-CZ3 4.3Å; Y828-W862 AromaticContact CZ-CD1 3.83Å; Y828-W862 AromaticContact CZ-CG 3.77Å; Y828-D863 HydrophobicContact CE2-CB 4.24Å
829	A	91.7	Very high	93.8	Very high	36 Å²	36	40.2 Å²	40.2	30%	0.298	19%	0.194	S	C	.	.	H	α-helix	trans	-64.3	-35.4	-177.7	0	0	0	0	0	113.4	G825 H826 C827 R833	G825-A829 WeakPolarHBondContact O-CB 3.46Å; G825-A829 PolarHBondContact O-N 3.4Å; H826-A829 PolarHBondContact O-N 2.76Å; C827-A829 PolarHBondContact O-N 3.07Å; A829-R833 WeakPolarHBondContact O-CD 3.24Å; A829-R833 VanDerWaalsContact O-CG 3.23Å; A829-R833 WeakPolarHBondContact O-CG 3.29Å
830	V	92.8	Very high	93.9	Very high	22 Å²	22	36.5 Å²	36.5	13%	0.133	18%	0.178	C	C	.	.	H	α-helix	trans	-75.6	-38.8	175.6	72.7	0	0	0	0	111.3	H826 C827 Y828 R832 R833 A834 F949 E950 L953	H826-V830 WeakPolarHBondContact O-CG1 3.45Å; H826-V830 PolarHBondContact O-N 2.74Å; C827-V830 VanDerWaalsContact O-CG1 3.28Å; C827-V830 WeakPolarHBondContact O-CG1 3.36Å; C827-V830 PolarHBondContact O-N 3.15Å; Y828-V830 VanDerWaalsContact C-N 3.35Å; Y828-V830 PolarHBondContact O-N 2.85Å; V830-R832 PolarHBondContact O-N 3.44Å; V830-R833 PolarHBondContact O-N 3.37Å; V830-A834 PolarHBondContact O-N 3.02Å; V830-F949 HydrophobicContact CG1-CD1 4.13Å; V830-F949 HydrophobicContact CG1-CE1 4.22Å; V830-E950 HydrophobicContact CG1-CB 4.35Å; V830-E950 HydrophobicContact CG1-CG 4.27Å; V830-E950 HydrophobicContact CG2-CG 3.91Å; V830-L953 HydrophobicContact CG1-CD2 3.99Å; V830-L953 HydrophobicContact CG2-CD2 4.09Å
831	N	94.4	Very high	94	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.011	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-44.4	177.8	-158.3	28.1	0	0	0	112	C827 Y828 R833 A834 P837 I838 F949	C827-N831 WeakPolarHBondContact O-CB 3.33Å; C827-N831 PolarHBondContact O-N 3.21Å; Y828-N831 PolarHBondContact O-N 2.92Å; N831-R833 PolarHBondContact O-N 3.06Å; N831-R833 VanDerWaalsContact O-N 3.11Å; N831-A834 WeakPolarHBondContact O-CB 3.49Å; N831-A834 PolarHBondContact O-N 3.23Å; N831-A834 VanDerWaalsContact O-N 3.13Å; N831-P837 VanDerWaalsContact OD1-CA 3.23Å; N831-P837 WeakPolarHBondContact OD1-CA 3.43Å; N831-I838 PolarHBondContact ND2-O 2.86Å; N831-I838 WeakPolarHBondContact OD1-CG2 3.34Å; N831-I838 PolarHBondContact OD1-N 2.91Å; N831-F949 HydrophobicContact CB-CE1 3.94Å; N831-F949 HydrophobicContact CB-CZ 4.08Å
832	R	89.6	Confident	94.1	Very high	31 Å²	31	37.6 Å²	37.6	12%	0.117	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.5	175.6	-70.8	-60.5	-59.8	150.9	4.9	113.9	K789 T791 Y828 V830 D863	K789-R832 VanDerWaalsContact CB-NH2 3.32Å; T791-R832 PolarHBondContact O-NH1 2.62Å; Y828-R832 HydrophobicContact CD2-CG 3.87Å; Y828-R832 HydrophobicContact CE1-CG 4.18Å; Y828-R832 HydrophobicContact CE2-CG 3.38Å; Y828-R832 HydrophobicContact CG-CG 4.43Å; Y828-R832 VanDerWaalsContact O-CG 3.31Å; Y828-R832 WeakPolarHBondContact O-CG 3.49Å; Y828-R832 PolarHBondContact O-N 2.87Å; V830-R832 PolarHBondContact O-N 3.44Å; R832-D863 IonicContact CZ-OD2 3.75Å; R832-D863 IonicContact NH1-OD2 2.66Å; R832-D863 PolarHBondContact NH1-OD2 2.96Å
833	R	88.4	Confident	94.1	Very high	164 Å²	164	29.6 Å²	29.6	62%	0.619	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-12.6	-179.5	-67.5	-179.3	-171.5	-176.9	5.1	113.5	L788 A829 V830 N831	L788-R833 HydrophobicContact CD2-CG 3.67Å; A829-R833 WeakPolarHBondContact O-CD 3.24Å; A829-R833 VanDerWaalsContact O-CG 3.23Å; A829-R833 WeakPolarHBondContact O-CG 3.29Å; V830-R833 PolarHBondContact O-N 3.37Å; N831-R833 PolarHBondContact O-N 3.06Å; N831-R833 VanDerWaalsContact O-N 3.11Å
834	A	89	Confident	93.9	Very high	7 Å²	7	29.7 Å²	29.7	6%	0.058	15%	0.152	C	C	.	.	S	Bend	trans	-65.7	151.9	175.6	0	0	0	0	0	110.5	V830 N831 N836 L953	V830-A834 PolarHBondContact O-N 3.02Å; N831-A834 WeakPolarHBondContact O-CB 3.49Å; N831-A834 PolarHBondContact O-N 3.23Å; N831-A834 VanDerWaalsContact O-N 3.13Å; A834-N836 VanDerWaalsContact C-N 3.32Å; A834-L953 HydrophobicContact CB-CD1 3.93Å; A834-L953 HydrophobicContact CB-CD2 4.17Å; A834-L953 HydrophobicContact CB-CG 4.37Å
835	A	85.9	Confident	93.7	Very high	52 Å²	52	29.7 Å²	29.7	43%	0.43	15%	0.152	S	C	.	.	S	Bend	trans	-67.8	-39.9	172.6	0	0	0	0	0	110.6	T791	T791-A835 PolarHBondContact OG1-O 3.14Å
836	N	90.2	Very high	93.2	Very high	55 Å²	55	32 Å²	32	29%	0.294	17%	0.165	S	C	.	.	S	Bend	trans	-121.8	88.4	175.6	-62.3	-53.9	0	0	0	109.3	S796 C798 A834 I838	S796-N836 VanDerWaalsContact OG-C 3.27Å; S796-N836 WeakPolarHBondContact OG-CA 3.39Å; C798-N836 HydrophobicContact CB-CB 3.77Å; A834-N836 VanDerWaalsContact C-N 3.32Å; N836-I838 PolarHBondContact O-N 2.85Å
837	P	94	Very high	92.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.			trans	-54.9	134.9	176.8	-24.7	33.3	0	0	0	112.2	T791 M793 S796 N831	T791-P837 WeakPolarHBondContact O-CG 3.47Å; M793-P837 HydrophobicContact CG-CB 4.24Å; S796-P837 WeakPolarHBondContact CB-O 3.41Å; S796-P837 WeakPolarHBondContact OG-CD 3.43Å; S796-P837 VanDerWaalsContact OG-N 3.16Å; S796-P837 PolarHBondContact OG-O 3.09Å; N831-P837 VanDerWaalsContact OD1-CA 3.23Å; N831-P837 WeakPolarHBondContact OD1-CA 3.43Å
838	I	96	Very high	91.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.179	C	C	.	.			trans	-72.8	153	174.2	-158.4	159.8	0	0	0	110.1	Q800 V802 N831 N836 M840 F949 L953 T956	Q800-I838 HydrophobicContact CB-CD1 3.97Å; Q800-I838 HydrophobicContact CB-CG1 3.95Å; Q800-I838 HydrophobicContact CG-CD1 3.83Å; Q800-I838 HydrophobicContact CG-CG1 4.28Å; Q800-I838 WeakPolarHBondContact O-CG1 3.32Å; V802-I838 HydrophobicContact CB-CD1 4.37Å; V802-I838 HydrophobicContact CG2-CD1 3.41Å; V802-I838 VanDerWaalsContact CG2-CD1 3.41Å; V802-I838 HydrophobicContact CG2-CG1 4.1Å; N831-I838 PolarHBondContact ND2-O 2.86Å; N831-I838 WeakPolarHBondContact OD1-CG2 3.34Å; N831-I838 PolarHBondContact OD1-N 2.91Å; N836-I838 PolarHBondContact O-N 2.85Å; I838-M840 PolarHBondContact O-N 2.89Å; I838-F949 HydrophobicContact CG2-CE1 4.22Å; I838-F949 HydrophobicContact CG2-CE2 3.95Å; I838-F949 HydrophobicContact CG2-CZ 3.45Å; I838-F949 VanDerWaalsContact CG2-CZ 3.45Å; I838-L953 HydrophobicContact CB-CD1 3.95Å; I838-L953 HydrophobicContact CG2-CD1 4.14Å; I838-T956 HydrophobicContact CD1-CG2 3.78Å
839	Q	97.5	Very high	91.6	Very high	21 Å²	21	29.2 Å²	29.2	10%	0.098	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	97.1	177.8	-54	-58.3	-43.3	0	0	109.2	M793 C798 Q800 R801 V802 Y841	M793-Q839 PolarHBondContact O-NE2 3.23Å; C798-Q839 PolarHBondContact O-NE2 2.97Å; Q800-Q839 WeakPolarHBondContact O-CB 3.41Å; Q800-Q839 PolarHBondContact O-N 2.78Å; R801-Q839 HydrophobicContact CG-CB 4.17Å; V802-Q839 PolarHBondContact N-O 2.84Å; Q839-Y841 HydrophobicContact CB-CE2 4.05Å; Q839-Y841 WeakPolarHBondContact O-CD2 3.07Å
840	M	97.7	Very high	91.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.4	-173.2	-176	-178	174.1	0	0	111.8	M793 V802 C827 I838 I842 V864 L865 F949	M793-M840 VanDerWaalsContact CE-N 3.33Å; M793-M840 WeakPolarHBondContact CE-O 3.49Å; M793-M840 HydrophobicContact SD-CB 3.81Å; M793-M840 PolarHBondContact SD-N 3.41Å; M793-M840 VanDerWaalsContact SD-N 3.41Å; V802-M840 WeakPolarHBondContact O-CA 3.38Å; C827-M840 HydrophobicContact CB-CE 3.68Å; C827-M840 HydrophobicContact CB-SD 4.26Å; I838-M840 PolarHBondContact O-N 2.89Å; M840-I842 HydrophobicContact CE-CD1 4.17Å; M840-I842 HydrophobicContact CE-CG1 4.16Å; M840-V864 HydrophobicContact CB-CG2 4.2Å; M840-V864 HydrophobicContact CE-CG2 4.16Å; M840-V864 HydrophobicContact CG-CG2 3.74Å; M840-V864 WeakPolarHBondContact O-CG2 3.28Å; M840-V864 HydrophobicContact SD-CG2 3.93Å; M840-L865 PolarHBondContact O-N 3.08Å; M840-F949 HydrophobicContact CB-CE2 4.12Å; M840-F949 HydrophobicContact CB-CZ 4.1Å; M840-F949 HydrophobicContact CE-CE2 4.45Å; M840-F949 HydrophobicContact CG-CE2 3.66Å; M840-F949 HydrophobicContact CG-CZ 3.91Å; M840-F949 HydrophobicContact SD-CE2 3.92Å; M840-F949 HydrophobicContact SD-CZ 3.77Å
841	Y	98.2	Very high	90.9	Very high	38 Å²	38	32.3 Å²	32.3	15%	0.149	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.8	174.8	-64.2	-106.1	0	0	0	110.7	R801 V802 A803 V804 Q839 L865 F875	R801-Y841 HydrophobicContact CB-CE2 4.25Å; R801-Y841 HydrophobicContact CG-CE2 4.14Å; V802-Y841 PolarHBondContact O-N 3.07Å; A803-Y841 CarbonylContact C-O 3.52Å; A803-Y841 WeakPolarHBondContact CA-O 3.45Å; V804-Y841 PolarHBondContact N-O 3.03Å; Q839-Y841 HydrophobicContact CB-CE2 4.05Å; Q839-Y841 WeakPolarHBondContact O-CD2 3.07Å; Y841-L865 WeakPolarHBondContact CA-O 3.26Å; Y841-L865 HydrophobicContact CD1-CB 3.54Å; Y841-L865 HydrophobicContact CD1-CD1 3.88Å; Y841-L865 HydrophobicContact CD1-CG 4.35Å; Y841-L865 HydrophobicContact CD2-CD1 4.35Å; Y841-L865 HydrophobicContact CE1-CB 3.82Å; Y841-L865 HydrophobicContact CE1-CD1 3.29Å; Y841-L865 HydrophobicContact CE1-CG 4.17Å; Y841-L865 HydrophobicContact CE2-CD1 3.81Å; Y841-L865 HydrophobicContact CG-CB 4.04Å; Y841-L865 HydrophobicContact CG-CD1 4.37Å; Y841-L865 WeakPolarHBondContact OH-CD1 3.26Å; Y841-F875 HydrophobicContact CD1-CE1 4.3Å; Y841-F875 AromaticContact CD1-CZ 3.61Å; Y841-F875 HydrophobicContact CD1-CZ 3.61Å; Y841-F875 HydrophobicContact CD2-CZ 4.01Å; Y841-F875 HydrophobicContact CE1-CE1 4.03Å; Y841-F875 AromaticContact CE1-CZ 3.82Å; Y841-F875 HydrophobicContact CE1-CZ 3.82Å; Y841-F875 HydrophobicContact CE2-CE1 4.41Å; Y841-F875 HydrophobicContact CE2-CZ 4.23Å; Y841-F875 AromaticContact CG-CZ 3.71Å; Y841-F875 HydrophobicContact CG-CZ 3.71Å
842	I	97.9	Very high	90.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	114	164.1	-55	170.3	0	0	0	105.9	V804 M806 L824 M840 F845 V864 L865 L866 K867	V804-I842 WeakPolarHBondContact O-CA 3.14Å; M806-I842 HydrophobicContact CG-CG2 3.56Å; L824-I842 HydrophobicContact CD1-CD1 4.05Å; L824-I842 HydrophobicContact CD1-CG2 4.43Å; L824-I842 HydrophobicContact CD2-CD1 4.17Å; L824-I842 HydrophobicContact CD2-CG1 4.34Å; M840-I842 HydrophobicContact CE-CD1 4.17Å; M840-I842 HydrophobicContact CE-CG1 4.16Å; I842-F845 HydrophobicContact CB-CD1 4.35Å; I842-F845 HydrophobicContact CG2-CB 3.86Å; I842-F845 HydrophobicContact CG2-CD1 3.73Å; I842-F845 HydrophobicContact CG2-CD2 4.03Å; I842-F845 HydrophobicContact CG2-CE1 4.2Å; I842-F845 HydrophobicContact CG2-CE2 4.48Å; I842-F845 HydrophobicContact CG2-CG 3.61Å; I842-V864 HydrophobicContact CD1-CG2 3.95Å; I842-V864 HydrophobicContact CG1-CG2 3.95Å; I842-L865 PolarHBondContact N-O 3.48Å; I842-L866 HydrophobicContact CB-CD2 3.93Å; I842-L866 HydrophobicContact CD1-CD2 3.62Å; I842-L866 HydrophobicContact CG1-CD2 4.14Å; I842-K867 PolarHBondContact O-N 3.05Å
843	V	96.5	Very high	90.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	168.5	-172.8	-59	0	0	0	0	110.8	A803 V804 D805 M806 F845 K867 L871 V874 F875	A803-V843 HydrophobicContact CB-CG1 4.31Å; A803-V843 HydrophobicContact CB-CG2 4.39Å; V804-V843 PolarHBondContact O-N 2.65Å; D805-V843 HydrophobicContact CB-CG2 4.25Å; M806-V843 PolarHBondContact N-O 3.16Å; V843-F845 PolarHBondContact O-N 2.79Å; V843-K867 CarbonylContact C-O 3.53Å; V843-K867 WeakPolarHBondContact CA-O 3.49Å; V843-K867 HydrophobicContact CG1-CB 4.2Å; V843-L871 HydrophobicContact CG2-CB 4.27Å; V843-L871 HydrophobicContact CG2-CD1 3.84Å; V843-V874 HydrophobicContact CG1-CG1 4.33Å; V843-V874 HydrophobicContact CG1-CG2 4.39Å; V843-F875 HydrophobicContact CG1-CE2 3.94Å
844	N	93.7	Very high	90.2	Very high	28 Å²	28	28.1 Å²	28.1	15%	0.15	17%	0.168	C	C	.	.	S	Bend	trans	50.9	28.6	-171.2	-75.4	-51.9	0	0	0	111.9	D805 C846 K867 E869 P870	D805-N844 VanDerWaalsContact OD1-CB 3.32Å; D805-N844 WeakPolarHBondContact OD1-CB 3.37Å; D805-N844 PolarHBondContact OD1-ND2 2.76Å; N844-C846 VanDerWaalsContact C-N 3.3Å; N844-C846 PolarHBondContact O-N 2.83Å; N844-K867 PolarHBondContact N-O 3.07Å; N844-E869 PolarHBondContact N-O 3.27Å; N844-P870 VanDerWaalsContact OD1-CA 3.23Å; N844-P870 WeakPolarHBondContact OD1-CA 3.46Å
845	F	92.5	Very high	89.6	Confident	1 Å²	1	31 Å²	31	0%	0.004	20%	0.199	C	C	.	.			trans	-90	73	-166	-162.2	-148.8	0	0	0	111.8	M806 I821 L824 I842 V843 R850 F853 L866 K867	M806-F845 HydrophobicContact CB-CD2 3.67Å; M806-F845 HydrophobicContact CB-CE2 4.38Å; M806-F845 HydrophobicContact CB-CG 4.46Å; M806-F845 HydrophobicContact CE-CE2 4.22Å; M806-F845 HydrophobicContact CG-CD2 3.66Å; M806-F845 HydrophobicContact CG-CE2 4.05Å; M806-F845 HydrophobicContact CG-CG 4.38Å; I821-F845 HydrophobicContact CD1-CE2 3.95Å; I821-F845 HydrophobicContact CD1-CZ 3.92Å; L824-F845 HydrophobicContact CD1-CZ 4.43Å; I842-F845 HydrophobicContact CB-CD1 4.35Å; I842-F845 HydrophobicContact CG2-CB 3.86Å; I842-F845 HydrophobicContact CG2-CD1 3.73Å; I842-F845 HydrophobicContact CG2-CD2 4.03Å; I842-F845 HydrophobicContact CG2-CE1 4.2Å; I842-F845 HydrophobicContact CG2-CE2 4.48Å; I842-F845 HydrophobicContact CG2-CG 3.61Å; V843-F845 PolarHBondContact O-N 2.79Å; F845-R850 HydrophobicContact CD2-CB 4.17Å; F845-R850 HydrophobicContact CE2-CB 4.22Å; F845-R850 HydrophobicContact CG-CB 4.49Å; F845-R850 WeakPolarHBondContact O-CG 3.48Å; F845-F853 HydrophobicContact CE1-CB 4.01Å; F845-F853 AromaticContact CE1-CD1 3.66Å; F845-F853 HydrophobicContact CE1-CD1 3.66Å; F845-F853 AromaticContact CE1-CD2 3.98Å; F845-F853 HydrophobicContact CE1-CD2 3.98Å; F845-F853 HydrophobicContact CE1-CE1 4.06Å; F845-F853 HydrophobicContact CE1-CE2 4.34Å; F845-F853 AromaticContact CE1-CG 3.62Å; F845-F853 HydrophobicContact CE1-CG 3.62Å; F845-F853 HydrophobicContact CE1-CZ 4.39Å; F845-F853 HydrophobicContact CE2-CB 4.41Å; F845-F853 HydrophobicContact CZ-CB 3.43Å; F845-F853 VanDerWaalsContact CZ-CB 3.43Å; F845-F853 HydrophobicContact CZ-CD1 4Å; F845-F853 AromaticContact CZ-CD2 3.78Å; F845-F853 HydrophobicContact CZ-CD2 3.78Å; F845-F853 AromaticContact CZ-CG 3.48Å; F845-F853 HydrophobicContact CZ-CG 3.48Å; F845-F853 VanDerWaalsContact CZ-CG 3.48Å; F845-L866 HydrophobicContact CD1-CD2 4.02Å; F845-L866 HydrophobicContact CE1-CD2 4.14Å; F845-K867 WeakPolarHBondContact CB-O 3.31Å; F845-K867 PolarHBondContact N-O 3.28Å
846	C	84.2	Confident	89.2	Confident	65 Å²	65	31.9 Å²	31.9	44%	0.439	20%	0.199	S	C	.	.			trans	-124.9	179.8	178.4	57.3	0	0	0	0	110.9	N844	N844-C846 VanDerWaalsContact C-N 3.3Å; N844-C846 PolarHBondContact O-N 2.83Å
847	G	82.9	Confident	88.4	Confident	45 Å²	45	38.6 Å²	38.6	46%	0.464	23%	0.228	S	C	.	.	H	α-helix	trans	73.4	-157.1	172.2	0	0	0	0	0	115.4	S849 R850 I851	G847-S849 PolarHBondContact O-N 3.24Å; G847-R850 WeakPolarHBondContact O-CB 3.49Å; G847-R850 PolarHBondContact O-N 2.91Å; G847-I851 WeakPolarHBondContact O-CG1 3.49Å; G847-I851 PolarHBondContact O-N 2.88Å; G847-I851 VanDerWaalsContact O-N 3.14Å
848	S	82.8	Confident	87.5	Confident	45 Å²	45	40.3 Å²	40.3	32%	0.315	25%	0.246	S	C	.	.	H	α-helix	trans	-59.5	-40.3	-173.9	45.7	0	0	0	0	114.7	D809 Q817 R850 I851 L852	D809-S848 WeakPolarHBondContact OD2-CA 3.1Å; D809-S848 PolarHBondContact OD2-N 2.97Å; D809-S848 PolarHBondContact OD2-OG 3.46Å; Q817-S848 PolarHBondContact NE2-OG 3.13Å; Q817-S848 PolarHBondContact OE1-OG 2.82Å; S848-R850 VanDerWaalsContact C-N 3.32Å; S848-R850 PolarHBondContact O-N 3.36Å; S848-I851 PolarHBondContact O-N 3.04Å; S848-L852 WeakPolarHBondContact O-CG 3.42Å; S848-L852 PolarHBondContact O-N 2.84Å
849	S	87.8	Confident	87	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.4	-36.4	176.8	-69.5	0	0	0	0	111.7	D809 I821 G847 L852 F853	D809-S849 WeakPolarHBondContact OD1-CB 3.42Å; D809-S849 PolarHBondContact OD1-OG 2.95Å; D809-S849 PolarHBondContact OD2-N 3.01Å; I821-S849 WeakPolarHBondContact CD1-O 3.31Å; G847-S849 PolarHBondContact O-N 3.24Å; S849-L852 PolarHBondContact O-N 3.03Å; S849-F853 WeakPolarHBondContact O-CB 3.41Å; S849-F853 PolarHBondContact O-N 2.66Å
850	R	90.9	Very high	85.9	Confident	65 Å²	65	44.2 Å²	44.2	25%	0.245	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-42	175.8	177.4	59.3	-172.7	-107.9	3.8	111.6	F845 G847 S848 L852 F853 D854	F845-R850 HydrophobicContact CD2-CB 4.17Å; F845-R850 HydrophobicContact CE2-CB 4.22Å; F845-R850 HydrophobicContact CG-CB 4.49Å; F845-R850 WeakPolarHBondContact O-CG 3.48Å; G847-R850 WeakPolarHBondContact O-CB 3.49Å; G847-R850 PolarHBondContact O-N 2.91Å; S848-R850 VanDerWaalsContact C-N 3.32Å; S848-R850 PolarHBondContact O-N 3.36Å; R850-L852 PolarHBondContact O-N 3.32Å; R850-F853 WeakPolarHBondContact O-CB 3.06Å; R850-F853 PolarHBondContact O-N 3.04Å; R850-F853 VanDerWaalsContact O-N 3.16Å; R850-D854 IonicContact CZ-OD1 2.66Å; R850-D854 IonicContact CZ-OD2 3.55Å; R850-D854 IonicContact NE-OD1 3.69Å; R850-D854 PolarHBondContact NE-OD1 2.83Å; R850-D854 IonicContact NE-OD2 3.25Å; R850-D854 PolarHBondContact NE-OD2 3.04Å; R850-D854 IonicContact NH2-OD1 3.84Å; R850-D854 PolarHBondContact NH2-OD1 3.39Å; R850-D854 IonicContact NH2-OD2 3.97Å; R850-D854 PolarHBondContact NH2-OD2 2.82Å; R850-D854 PolarHBondContact O-N 2.83Å
851	I	79.4	Confident	85.1	Confident	59 Å²	59	50.5 Å²	50.5	30%	0.303	31%	0.309	S	S	.	.	H	α-helix	trans	-60	-47.8	175.9	-63.8	167.9	0	0	0	110.8	G117 I118 G847 S848 F853 D854 G855	G117-I851 WeakPolarHBondContact O-CD1 3.36Å; G117-I851 WeakPolarHBondContact O-CG1 3.48Å; I118-I851 HydrophobicContact CD1-CD1 4.43Å; G847-I851 WeakPolarHBondContact O-CG1 3.49Å; G847-I851 PolarHBondContact O-N 2.88Å; G847-I851 VanDerWaalsContact O-N 3.14Å; S848-I851 PolarHBondContact O-N 3.04Å; I851-F853 PolarHBondContact O-N 2.86Å; I851-D854 PolarHBondContact O-N 2.64Å; I851-G855 PolarHBondContact O-N 3.39Å
852	L	83.3	Confident	84.7	Confident	43 Å²	43	50.7 Å²	50.7	23%	0.225	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-35.2	176.9	-71.5	171.4	0	0	0	112.2	Q817 Q818 I821 S848 S849 R850 T856	Q817-L852 HydrophobicContact CB-CD1 3.68Å; Q818-L852 HydrophobicContact CG-CD1 3.98Å; Q818-L852 HydrophobicContact CG-CD2 4.23Å; I821-L852 HydrophobicContact CG1-CB 4.34Å; S848-L852 WeakPolarHBondContact O-CG 3.42Å; S848-L852 PolarHBondContact O-N 2.84Å; S849-L852 PolarHBondContact O-N 3.03Å; R850-L852 PolarHBondContact O-N 3.32Å; L852-T856 PolarHBondContact O-OG1 3.34Å; L852-T856 VanDerWaalsContact O-OG1 3.1Å
853	F	90.6	Very high	84.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-70.8	-49.3	176.8	178.2	-88.1	0	0	0	112.6	I821 F845 S849 R850 I851 G855 T856 N859 W862 L866	I821-F853 HydrophobicContact CD1-CB 3.99Å; I821-F853 HydrophobicContact CD1-CD2 4.43Å; I821-F853 HydrophobicContact CG1-CB 4.48Å; I821-F853 HydrophobicContact CG2-CB 4.38Å; I821-F853 HydrophobicContact CG2-CD2 4.21Å; F845-F853 HydrophobicContact CE1-CB 4.01Å; F845-F853 AromaticContact CE1-CD1 3.66Å; F845-F853 HydrophobicContact CE1-CD1 3.66Å; F845-F853 AromaticContact CE1-CD2 3.98Å; F845-F853 HydrophobicContact CE1-CD2 3.98Å; F845-F853 HydrophobicContact CE1-CE1 4.06Å; F845-F853 HydrophobicContact CE1-CE2 4.34Å; F845-F853 AromaticContact CE1-CG 3.62Å; F845-F853 HydrophobicContact CE1-CG 3.62Å; F845-F853 HydrophobicContact CE1-CZ 4.39Å; F845-F853 HydrophobicContact CE2-CB 4.41Å; F845-F853 HydrophobicContact CZ-CB 3.43Å; F845-F853 VanDerWaalsContact CZ-CB 3.43Å; F845-F853 HydrophobicContact CZ-CD1 4Å; F845-F853 AromaticContact CZ-CD2 3.78Å; F845-F853 HydrophobicContact CZ-CD2 3.78Å; F845-F853 AromaticContact CZ-CG 3.48Å; F845-F853 HydrophobicContact CZ-CG 3.48Å; F845-F853 VanDerWaalsContact CZ-CG 3.48Å; S849-F853 WeakPolarHBondContact O-CB 3.41Å; S849-F853 PolarHBondContact O-N 2.66Å; R850-F853 WeakPolarHBondContact O-CB 3.06Å; R850-F853 PolarHBondContact O-N 3.04Å; R850-F853 VanDerWaalsContact O-N 3.16Å; I851-F853 PolarHBondContact O-N 2.86Å; F853-G855 VanDerWaalsContact C-N 3.3Å; F853-G855 PolarHBondContact O-N 2.91Å; F853-T856 PolarHBondContact O-N 3.45Å; F853-T856 VanDerWaalsContact O-N 3.16Å; F853-N859 HydrophobicContact CD1-CB 4.03Å; F853-N859 HydrophobicContact CD2-CB 4.33Å; F853-N859 WeakPolarHBondContact CD2-ND2 3.23Å; F853-N859 HydrophobicContact CE1-CB 3.69Å; F853-N859 HydrophobicContact CE2-CB 4.02Å; F853-N859 HydrophobicContact CG-CB 4.34Å; F853-N859 HydrophobicContact CZ-CB 3.68Å; F853-N859 WeakPolarHBondContact O-CB 3.34Å; F853-N859 PolarHBondContact O-ND2 2.78Å; F853-W862 HydrophobicContact CD2-CH2 4.49Å; F853-W862 HydrophobicContact CD2-CZ3 4.46Å; F853-W862 HydrophobicContact CE2-CD2 4.24Å; F853-W862 AromaticContact CE2-CE3 3.69Å; F853-W862 HydrophobicContact CE2-CE3 3.69Å; F853-W862 AromaticContact CE2-CH2 3.77Å; F853-W862 HydrophobicContact CE2-CH2 3.77Å; F853-W862 HydrophobicContact CE2-CZ2 4.36Å; F853-W862 AromaticContact CE2-CZ3 3.46Å; F853-W862 HydrophobicContact CE2-CZ3 3.46Å; F853-W862 VanDerWaalsContact CE2-CZ3 3.46Å; F853-W862 HydrophobicContact CZ-CD2 4.2Å; F853-W862 AromaticContact CZ-CE3 3.91Å; F853-W862 HydrophobicContact CZ-CE3 3.91Å; F853-W862 HydrophobicContact CZ-CZ3 4.17Å; F853-L866 HydrophobicContact CE1-CD1 3.73Å; F853-L866 HydrophobicContact CE1-CD2 4.48Å; F853-L866 HydrophobicContact CZ-CD1 4.16Å; F853-L866 HydrophobicContact CZ-CD2 4.29Å
854	D	83.1	Confident	84.3	Confident	65 Å²	65	53.6 Å²	53.6	35%	0.348	33%	0.326	S	S	.	.	H	α-helix	trans	-67.7	-31.7	-178.5	-72.1	-20.6	0	0	0	111.8	R850 I851 T856	R850-D854 IonicContact CZ-OD1 2.66Å; R850-D854 IonicContact CZ-OD2 3.55Å; R850-D854 IonicContact NE-OD1 3.69Å; R850-D854 PolarHBondContact NE-OD1 2.83Å; R850-D854 IonicContact NE-OD2 3.25Å; R850-D854 PolarHBondContact NE-OD2 3.04Å; R850-D854 IonicContact NH2-OD1 3.84Å; R850-D854 PolarHBondContact NH2-OD1 3.39Å; R850-D854 IonicContact NH2-OD2 3.97Å; R850-D854 PolarHBondContact NH2-OD2 2.82Å; R850-D854 PolarHBondContact O-N 2.83Å; I851-D854 PolarHBondContact O-N 2.64Å; D854-T856 PolarHBondContact O-N 2.89Å
855	G	76.1	Confident	84.3	Confident	69 Å²	69	55.4 Å²	55.4	71%	0.711	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-6.9	174.5	0	0	0	0	0	114.7	I851 F853	I851-G855 PolarHBondContact O-N 3.39Å; F853-G855 VanDerWaalsContact C-N 3.3Å; F853-G855 PolarHBondContact O-N 2.91Å
856	T	78.7	Confident	84.4	Confident	70 Å²	70	57.8 Å²	57.8	43%	0.429	35%	0.347	S	S	.	.	S	Bend	trans	-97	116.5	177.6	-58.7	0	0	0	0	110.6	L852 F853 D854 G858 N859	L852-T856 PolarHBondContact O-OG1 3.34Å; L852-T856 VanDerWaalsContact O-OG1 3.1Å; F853-T856 PolarHBondContact O-N 3.45Å; F853-T856 VanDerWaalsContact O-N 3.16Å; D854-T856 PolarHBondContact O-N 2.89Å; T856-G858 PolarHBondContact O-N 2.84Å; T856-N859 WeakPolarHBondContact CB-ND2 3.5Å; T856-N859 WeakPolarHBondContact O-CB 3.26Å; T856-N859 PolarHBondContact O-N 3.45Å
857	E	73.5	Confident	84.8	Confident	195 Å²	195	58.5 Å²	58.5	91%	0.911	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	128.9	-179.8	-74.3	179.8	-177.9	0	0	113.3
858	G	74.7	Confident	85	Confident	36 Å²	36	58.9 Å²	58.9	37%	0.371	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-7.8	176.1	0	0	0	0	0	115.2	T856 S860 N861	T856-G858 PolarHBondContact O-N 2.84Å; G858-S860 VanDerWaalsContact C-N 3.31Å; G858-S860 PolarHBondContact O-N 3.08Å; G858-N861 PolarHBondContact O-N 3.44Å
859	N	84	Confident	85.2	Confident	10 Å²	10	60.5 Å²	60.5	5%	0.053	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-65.1	-33.3	175.1	-78.1	11.5	0	0	0	113.2	F853 T856 N861 W862	F853-N859 HydrophobicContact CD1-CB 4.03Å; F853-N859 HydrophobicContact CD2-CB 4.33Å; F853-N859 WeakPolarHBondContact CD2-ND2 3.23Å; F853-N859 HydrophobicContact CE1-CB 3.69Å; F853-N859 HydrophobicContact CE2-CB 4.02Å; F853-N859 HydrophobicContact CG-CB 4.34Å; F853-N859 HydrophobicContact CZ-CB 3.68Å; F853-N859 WeakPolarHBondContact O-CB 3.34Å; F853-N859 PolarHBondContact O-ND2 2.78Å; T856-N859 WeakPolarHBondContact CB-ND2 3.5Å; T856-N859 WeakPolarHBondContact O-CB 3.26Å; T856-N859 PolarHBondContact O-N 3.45Å; N859-N861 PolarHBondContact O-N 2.86Å; N859-N861 VanDerWaalsContact O-N 3.16Å; N859-W862 WeakPolarHBondContact O-CB 3.41Å; N859-W862 PolarHBondContact O-N 2.77Å; N859-W862 VanDerWaalsContact O-N 3.13Å; N859-W862 VanDerWaalsContact OD1-CE2 3.27Å; N859-W862 WeakPolarHBondContact OD1-CZ2 3.3Å; N859-W862 PolarHBondContact OD1-NE1 2.95Å
860	S	76.3	Confident	85.4	Confident	95 Å²	95	63.6 Å²	63.6	66%	0.664	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-60.9	-21.1	174.2	53.9	0	0	0	0	114.1	G858	G858-S860 VanDerWaalsContact C-N 3.31Å; G858-S860 PolarHBondContact O-N 3.08Å
861	N	80.7	Confident	85.5	Confident	131 Å²	131	61 Å²	61	70%	0.701	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-99	13.5	-179.9	-64.3	-51.4	0	0	0	112.9	G858 N859 D863	G858-N861 PolarHBondContact O-N 3.44Å; N859-N861 PolarHBondContact O-N 2.86Å; N859-N861 VanDerWaalsContact O-N 3.16Å; N861-D863 PolarHBondContact O-N 2.84Å
862	W	90.1	Very high	86	Confident	42 Å²	42	60.6 Å²	60.6	16%	0.159	35%	0.353	C	S	.	.			trans	-72.2	129.4	177.5	-73.7	17.6	0	0	0	110	L824 Y828 F853 N859 V864	L824-W862 HydrophobicContact CB-CZ3 4.28Å; Y828-W862 AromaticContact CD1-CD1 3.98Å; Y828-W862 AromaticContact CD1-CD2 3.57Å; Y828-W862 HydrophobicContact CD1-CD2 3.57Å; Y828-W862 AromaticContact CD1-CE2 3.69Å; Y828-W862 HydrophobicContact CD1-CE3 4.02Å; Y828-W862 AromaticContact CD1-CG 3.81Å; Y828-W862 HydrophobicContact CD1-CG 3.81Å; Y828-W862 HydrophobicContact CD1-CZ2 4.31Å; Y828-W862 AromaticContact CD1-NE1 3.9Å; Y828-W862 HydrophobicContact CD2-CB 3.96Å; Y828-W862 HydrophobicContact CD2-CD2 4.12Å; Y828-W862 HydrophobicContact CD2-CE3 4.2Å; Y828-W862 HydrophobicContact CD2-CG 4.01Å; Y828-W862 HydrophobicContact CE1-CB 4.38Å; Y828-W862 AromaticContact CE1-CD1 3.56Å; Y828-W862 AromaticContact CE1-CD2 3.96Å; Y828-W862 HydrophobicContact CE1-CD2 3.96Å; Y828-W862 AromaticContact CE1-CG 3.7Å; Y828-W862 HydrophobicContact CE1-CG 3.7Å; Y828-W862 AromaticContact CE1-NE1 3.75Å; Y828-W862 HydrophobicContact CE2-CB 3.74Å; Y828-W862 HydrophobicContact CE2-CD2 4.49Å; Y828-W862 AromaticContact CE2-CG 3.94Å; Y828-W862 HydrophobicContact CE2-CG 3.94Å; Y828-W862 HydrophobicContact CG-CB 4.39Å; Y828-W862 AromaticContact CG-CD2 3.64Å; Y828-W862 HydrophobicContact CG-CD2 3.64Å; Y828-W862 AromaticContact CG-CE3 3.67Å; Y828-W862 HydrophobicContact CG-CE3 3.67Å; Y828-W862 AromaticContact CG-CG 3.95Å; Y828-W862 HydrophobicContact CG-CG 3.95Å; Y828-W862 HydrophobicContact CG-CZ3 4.3Å; Y828-W862 AromaticContact CZ-CD1 3.83Å; Y828-W862 AromaticContact CZ-CG 3.77Å; F853-W862 HydrophobicContact CD2-CH2 4.49Å; F853-W862 HydrophobicContact CD2-CZ3 4.46Å; F853-W862 HydrophobicContact CE2-CD2 4.24Å; F853-W862 AromaticContact CE2-CE3 3.69Å; F853-W862 HydrophobicContact CE2-CE3 3.69Å; F853-W862 AromaticContact CE2-CH2 3.77Å; F853-W862 HydrophobicContact CE2-CH2 3.77Å; F853-W862 HydrophobicContact CE2-CZ2 4.36Å; F853-W862 AromaticContact CE2-CZ3 3.46Å; F853-W862 HydrophobicContact CE2-CZ3 3.46Å; F853-W862 VanDerWaalsContact CE2-CZ3 3.46Å; F853-W862 HydrophobicContact CZ-CD2 4.2Å; F853-W862 AromaticContact CZ-CE3 3.91Å; F853-W862 HydrophobicContact CZ-CE3 3.91Å; F853-W862 HydrophobicContact CZ-CZ3 4.17Å; N859-W862 WeakPolarHBondContact O-CB 3.41Å; N859-W862 PolarHBondContact O-N 2.77Å; N859-W862 VanDerWaalsContact O-N 3.13Å; N859-W862 VanDerWaalsContact OD1-CE2 3.27Å; N859-W862 WeakPolarHBondContact OD1-CZ2 3.3Å; N859-W862 PolarHBondContact OD1-NE1 2.95Å; W862-V864 HydrophobicContact CB-CB 4.46Å; W862-V864 HydrophobicContact CB-CG1 3.57Å; W862-V864 HydrophobicContact CE3-CG1 4.45Å; W862-V864 PolarHBondContact O-N 3.17Å
863	D	90.4	Very high	86.4	Confident	46 Å²	46	63.4 Å²	63.4	25%	0.246	37%	0.371	C	S	.	.	S	Bend	trans	-70.2	79.5	166.4	178.2	36.7	0	0	0	108.9	P792 M793 Y828 R832 N861	P792-D863 WeakPolarHBondContact CA-OD2 3.15Å; M793-D863 PolarHBondContact N-OD1 3.36Å; M793-D863 PolarHBondContact N-OD2 2.77Å; M793-D863 VanDerWaalsContact SD-O 3.41Å; Y828-D863 HydrophobicContact CE2-CB 4.24Å; R832-D863 IonicContact CZ-OD2 3.75Å; R832-D863 IonicContact NH1-OD2 2.66Å; R832-D863 PolarHBondContact NH1-OD2 2.96Å; N861-D863 PolarHBondContact O-N 2.84Å
864	V	93.8	Very high	86.5	Confident	16 Å²	16	65.2 Å²	65.2	10%	0.097	38%	0.383	C	S	.	.	S	Bend	trans	-154.8	146.3	-178.1	64.5	0	0	0	0	109.1	M840 I842 W862 L866	M840-V864 HydrophobicContact CB-CG2 4.2Å; M840-V864 HydrophobicContact CE-CG2 4.16Å; M840-V864 HydrophobicContact CG-CG2 3.74Å; M840-V864 WeakPolarHBondContact O-CG2 3.28Å; M840-V864 HydrophobicContact SD-CG2 3.93Å; I842-V864 HydrophobicContact CD1-CG2 3.95Å; I842-V864 HydrophobicContact CG1-CG2 3.95Å; W862-V864 HydrophobicContact CB-CB 4.46Å; W862-V864 HydrophobicContact CB-CG1 3.57Å; W862-V864 HydrophobicContact CE3-CG1 4.45Å; W862-V864 PolarHBondContact O-N 3.17Å; V864-L866 HydrophobicContact CG1-CD2 3.64Å; V864-L866 HydrophobicContact CG1-CG 3.96Å; V864-L866 HydrophobicContact CG2-CD2 4.39Å; V864-L866 PolarHBondContact O-N 3.42Å
865	L	94.7	Very high	87.1	Confident	66 Å²	66	62.8 Å²	62.8	35%	0.346	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	98.3	179.4	-64.4	168.2	0	0	0	110.2	M793 M840 Y841 I842	M793-L865 HydrophobicContact CE-CD1 3.94Å; M793-L865 HydrophobicContact CE-CG 3.92Å; M840-L865 PolarHBondContact O-N 3.08Å; Y841-L865 WeakPolarHBondContact CA-O 3.26Å; Y841-L865 HydrophobicContact CD1-CB 3.54Å; Y841-L865 HydrophobicContact CD1-CD1 3.88Å; Y841-L865 HydrophobicContact CD1-CG 4.35Å; Y841-L865 HydrophobicContact CD2-CD1 4.35Å; Y841-L865 HydrophobicContact CE1-CB 3.82Å; Y841-L865 HydrophobicContact CE1-CD1 3.29Å; Y841-L865 HydrophobicContact CE1-CG 4.17Å; Y841-L865 HydrophobicContact CE2-CD1 3.81Å; Y841-L865 HydrophobicContact CG-CB 4.04Å; Y841-L865 HydrophobicContact CG-CD1 4.37Å; Y841-L865 WeakPolarHBondContact OH-CD1 3.26Å; I842-L865 PolarHBondContact N-O 3.48Å
866	L	93.8	Very high	88	Confident	51 Å²	51	65 Å²	65	27%	0.267	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.6	178.1	-55.8	179.8	0	0	0	110.6	I842 F845 F853 V864	I842-L866 HydrophobicContact CB-CD2 3.93Å; I842-L866 HydrophobicContact CD1-CD2 3.62Å; I842-L866 HydrophobicContact CG1-CD2 4.14Å; F845-L866 HydrophobicContact CD1-CD2 4.02Å; F845-L866 HydrophobicContact CE1-CD2 4.14Å; F853-L866 HydrophobicContact CE1-CD1 3.73Å; F853-L866 HydrophobicContact CE1-CD2 4.48Å; F853-L866 HydrophobicContact CZ-CD1 4.16Å; F853-L866 HydrophobicContact CZ-CD2 4.29Å; V864-L866 HydrophobicContact CG1-CD2 3.64Å; V864-L866 HydrophobicContact CG1-CG 3.96Å; V864-L866 HydrophobicContact CG2-CD2 4.39Å; V864-L866 PolarHBondContact O-N 3.42Å
867	K	92.6	Very high	88.7	Confident	80 Å²	80	66.7 Å²	66.7	35%	0.348	37%	0.366	S	S	.	.			trans	-127.9	127	179.8	-63.7	-64.1	-175.8	177.2	0	110.3	I842 V843 N844 F845 E869 V874	I842-K867 PolarHBondContact O-N 3.05Å; V843-K867 CarbonylContact C-O 3.53Å; V843-K867 WeakPolarHBondContact CA-O 3.49Å; V843-K867 HydrophobicContact CG1-CB 4.2Å; N844-K867 PolarHBondContact N-O 3.07Å; F845-K867 WeakPolarHBondContact CB-O 3.31Å; F845-K867 PolarHBondContact N-O 3.28Å; K867-E869 WeakPolarHBondContact CA-OE2 3.5Å; K867-E869 WeakPolarHBondContact CB-OE2 3.3Å; K867-V874 HydrophobicContact CB-CG2 3.89Å; K867-V874 HydrophobicContact CG-CG1 4.08Å; K867-V874 HydrophobicContact CG-CG2 4.14Å
868	S	87.3	Confident	89.8	Confident	52 Å²	52	61.4 Å²	61.4	36%	0.364	35%	0.35	S	S	.	.			trans	-86.3	-17	175.6	54.4	0	0	0	0	111.8
869	E	88.4	Confident	90.8	Very high	79 Å²	79	61.4 Å²	61.4	37%	0.369	34%	0.342	S	S	.	.	S	Bend	trans	-72.4	155	-176.8	-55.2	87.9	162.2	0	0	112.5	N844 K867 T873 V874	N844-E869 PolarHBondContact N-O 3.27Å; K867-E869 WeakPolarHBondContact CA-OE2 3.5Å; K867-E869 WeakPolarHBondContact CB-OE2 3.3Å; E869-T873 HydrophobicContact CB-CG2 4.32Å; E869-V874 HydrophobicContact CB-CG2 3.86Å
870	P	90.1	Very high	91.5	Very high	66 Å²	66	61 Å²	61	43%	0.429	34%	0.339	S	S	.	.			trans	-52.9	142.8	172.1	-27.5	36.3	0	0	0	114.1	N844 T872 T873 V874	N844-P870 VanDerWaalsContact OD1-CA 3.23Å; N844-P870 WeakPolarHBondContact OD1-CA 3.46Å; P870-T872 PolarHBondContact O-N 2.8Å; P870-T872 VanDerWaalsContact O-N 3.14Å; P870-T873 WeakPolarHBondContact O-CA 3.42Å; P870-T873 WeakPolarHBondContact O-CB 3.44Å; P870-T873 PolarHBondContact O-N 3.34Å; P870-V874 PolarHBondContact O-N 3.28Å; P870-V874 VanDerWaalsContact O-N 3.08Å
871	L	93.3	Very high	92.6	Very high	9 Å²	9	57.3 Å²	57.3	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-47.6	-43.9	177.3	175.2	68.7	0	0	0	112.6	V843 T873 V874 F875 I880 Y882 V901	V843-L871 HydrophobicContact CG2-CB 4.27Å; V843-L871 HydrophobicContact CG2-CD1 3.84Å; L871-T873 VanDerWaalsContact C-N 3.27Å; L871-T873 PolarHBondContact O-N 2.74Å; L871-V874 PolarHBondContact O-N 3.06Å; L871-F875 HydrophobicContact CD1-CD2 3.83Å; L871-F875 HydrophobicContact CD1-CE2 4.22Å; L871-F875 PolarHBondContact O-N 2.75Å; L871-F875 VanDerWaalsContact O-N 3.08Å; L871-I880 HydrophobicContact CD1-CD1 4.45Å; L871-I880 HydrophobicContact CD2-CD1 4.44Å; L871-I880 HydrophobicContact CD2-CG2 4.07Å; L871-I880 HydrophobicContact CG-CD1 3.97Å; L871-I880 HydrophobicContact CG-CG2 4.5Å; L871-Y882 HydrophobicContact CD2-CD2 4.01Å; L871-Y882 HydrophobicContact CD2-CE2 3.98Å; L871-V901 HydrophobicContact CD1-CG1 4.27Å; L871-V901 HydrophobicContact CD1-CG2 3.74Å; L871-V901 HydrophobicContact CD2-CG1 4.12Å; L871-V901 HydrophobicContact CD2-CG2 4.13Å
872	T	91.6	Very high	93.4	Very high	52 Å²	52	51.1 Å²	51.1	32%	0.319	28%	0.28	S	S	.	.	H	α-helix	trans	-76.8	-7.1	179.5	53.6	0	0	0	0	114.8	P870 F875 K877 I880 I924	P870-T872 PolarHBondContact O-N 2.8Å; P870-T872 VanDerWaalsContact O-N 3.14Å; T872-F875 CarbonylContact C-O 3.55Å; T872-K877 HydrophobicContact CG2-CG 4.18Å; T872-I880 HydrophobicContact CG2-CD1 4.44Å; T872-I924 HydrophobicContact CG2-CD1 3.61Å
873	T	91	Very high	93.8	Very high	101 Å²	101	49.8 Å²	49.8	62%	0.62	28%	0.276	S	S	*	.	H	α-helix	trans	-93.7	-33.2	171.5	-56.9	0	0	0	0	110.5	E869 P870 L871	E869-T873 HydrophobicContact CB-CG2 4.32Å; P870-T873 WeakPolarHBondContact O-CA 3.42Å; P870-T873 WeakPolarHBondContact O-CB 3.44Å; P870-T873 PolarHBondContact O-N 3.34Å; L871-T873 VanDerWaalsContact C-N 3.27Å; L871-T873 PolarHBondContact O-N 2.74Å
874	V	92.8	Very high	94	Very high	39 Å²	39	48.1 Å²	48.1	24%	0.236	27%	0.268	C	S	.	.	H	α-helix	trans	-76.6	-36.3	178.7	-178.7	0	0	0	0	111.5	V843 K867 E869 P870 L871	V843-V874 HydrophobicContact CG1-CG1 4.33Å; V843-V874 HydrophobicContact CG1-CG2 4.39Å; K867-V874 HydrophobicContact CB-CG2 3.89Å; K867-V874 HydrophobicContact CG-CG1 4.08Å; K867-V874 HydrophobicContact CG-CG2 4.14Å; E869-V874 HydrophobicContact CB-CG2 3.86Å; P870-V874 PolarHBondContact O-N 3.28Å; P870-V874 VanDerWaalsContact O-N 3.08Å; L871-V874 PolarHBondContact O-N 3.06Å
875	F	96	Very high	93.9	Very high	14 Å²	14	49.6 Å²	49.6	6%	0.061	28%	0.279	C	S	.	.	S	Bend	trans	-131.6	147.2	-178.8	-52.5	-74.4	0	0	0	111.1	A803 Y841 V843 L871 T872 I880 V899	A803-F875 HydrophobicContact CB-CE2 4.09Å; Y841-F875 HydrophobicContact CD1-CE1 4.3Å; Y841-F875 AromaticContact CD1-CZ 3.61Å; Y841-F875 HydrophobicContact CD1-CZ 3.61Å; Y841-F875 HydrophobicContact CD2-CZ 4.01Å; Y841-F875 HydrophobicContact CE1-CE1 4.03Å; Y841-F875 AromaticContact CE1-CZ 3.82Å; Y841-F875 HydrophobicContact CE1-CZ 3.82Å; Y841-F875 HydrophobicContact CE2-CE1 4.41Å; Y841-F875 HydrophobicContact CE2-CZ 4.23Å; Y841-F875 AromaticContact CG-CZ 3.71Å; Y841-F875 HydrophobicContact CG-CZ 3.71Å; V843-F875 HydrophobicContact CG1-CE2 3.94Å; L871-F875 HydrophobicContact CD1-CD2 3.83Å; L871-F875 HydrophobicContact CD1-CE2 4.22Å; L871-F875 PolarHBondContact O-N 2.75Å; L871-F875 VanDerWaalsContact O-N 3.08Å; T872-F875 CarbonylContact C-O 3.55Å; F875-I880 HydrophobicContact CB-CD1 4.04Å; F875-I880 HydrophobicContact CB-CG1 3.79Å; F875-V899 HydrophobicContact CB-CG1 4.09Å; F875-V899 HydrophobicContact CD1-CG1 4.14Å; F875-V899 HydrophobicContact CD2-CG1 4.03Å; F875-V899 HydrophobicContact CD2-CG2 4.42Å; F875-V899 HydrophobicContact CE1-CG2 4.33Å; F875-V899 HydrophobicContact CE2-CG1 4.47Å; F875-V899 HydrophobicContact CE2-CG2 4.04Å; F875-V899 HydrophobicContact CG-CG1 3.84Å; F875-V899 HydrophobicContact CZ-CG2 3.99Å
876	D	94.4	Very high	93.7	Very high	116 Å²	116	50 Å²	50	62%	0.62	28%	0.279	S	S	*	.			trans	-64.9	141	172.5	-69.2	-41.6	0	0	0	110.9	S878 D879 I880	D876-S878 PolarHBondContact O-N 3.28Å; D876-S878 VanDerWaalsContact O-N 3.08Å; D876-D879 WeakPolarHBondContact O-CB 3.4Å; D876-D879 PolarHBondContact O-N 3.36Å; D876-I880 WeakPolarHBondContact O-CG1 3.45Å
877	K	94.1	Very high	93.8	Very high	105 Å²	105	47.6 Å²	47.6	46%	0.457	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-32.3	-177.9	-70.6	-168.6	177.9	-164.9	0	113.5	T872 D879 N922 I924	T872-K877 HydrophobicContact CG2-CG 4.18Å; K877-D879 VanDerWaalsContact C-N 3.27Å; K877-D879 PolarHBondContact O-N 3.02Å; K877-N922 PolarHBondContact NZ-O 3.44Å; K877-I924 HydrophobicContact CG-CG1 4.49Å
878	S	95.1	Very high	93.8	Very high	83 Å²	83	48.4 Å²	48.4	58%	0.58	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.4	177.7	50.7	0	0	0	0	113.8	D876 K898	D876-S878 PolarHBondContact O-N 3.28Å; D876-S878 VanDerWaalsContact O-N 3.08Å; S878-K898 PolarHBondContact O-NZ 2.92Å
879	D	97.3	Very high	94.2	Very high	37 Å²	37	49.8 Å²	49.8	20%	0.198	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-19	-176.8	-74	13.3	0	0	0	111.9	R801 D876 K877 K898 V899	R801-D879 IonicContact CZ-OD2 3.48Å; R801-D879 IonicContact NH1-OD2 3.24Å; R801-D879 IonicContact NH2-OD2 3.51Å; R801-D879 PolarHBondContact NH2-OD2 2.78Å; D876-D879 WeakPolarHBondContact O-CB 3.4Å; D876-D879 PolarHBondContact O-N 3.36Å; K877-D879 VanDerWaalsContact C-N 3.27Å; K877-D879 PolarHBondContact O-N 3.02Å; D879-K898 CarbonylContact O-C 3.37Å; D879-K898 VanDerWaalsContact O-CA 3.25Å; D879-K898 WeakPolarHBondContact O-CA 3.41Å; D879-K898 WeakPolarHBondContact O-CB 3.4Å; D879-K898 WeakPolarHBondContact O-CD 3.4Å; D879-V899 PolarHBondContact O-N 2.89Å
880	I	98.3	Very high	94.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129.1	-169.1	-56.9	162.9	0	0	0	111.2	L871 T872 F875 D876 V899 V901 I924	L871-I880 HydrophobicContact CD1-CD1 4.45Å; L871-I880 HydrophobicContact CD2-CD1 4.44Å; L871-I880 HydrophobicContact CD2-CG2 4.07Å; L871-I880 HydrophobicContact CG-CD1 3.97Å; L871-I880 HydrophobicContact CG-CG2 4.5Å; T872-I880 HydrophobicContact CG2-CD1 4.44Å; F875-I880 HydrophobicContact CB-CD1 4.04Å; F875-I880 HydrophobicContact CB-CG1 3.79Å; D876-I880 WeakPolarHBondContact O-CG1 3.45Å; I880-V899 HydrophobicContact CB-CG1 4.19Å; I880-V899 HydrophobicContact CG1-CG1 3.77Å; I880-V899 HydrophobicContact CG2-CG1 4.49Å; I880-V901 HydrophobicContact CG2-CG2 3.59Å; I880-I924 HydrophobicContact CB-CG2 3.52Å; I880-I924 HydrophobicContact CD1-CD1 4.17Å; I880-I924 HydrophobicContact CG2-CG2 3.41Å; I880-I924 VanDerWaalsContact CG2-CG2 3.41Å; I880-I924 WeakPolarHBondContact O-CG2 3.26Å
881	V	98.3	Very high	94.8	Very high	19 Å²	19	45.4 Å²	45.4	12%	0.115	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	108.1	167.6	-176.8	0	0	0	0	109.4	K898 V899 Y900 V901 A925 A927	V881-K898 HydrophobicContact CG2-CB 4.18Å; V881-K898 HydrophobicContact CG2-CD 4.44Å; V881-K898 HydrophobicContact CG2-CG 4.21Å; V881-V899 PolarHBondContact N-O 2.83Å; V881-Y900 HydrophobicContact CB-CD1 3.84Å; V881-Y900 HydrophobicContact CB-CE1 3.9Å; V881-Y900 HydrophobicContact CG1-CD1 3.97Å; V881-Y900 HydrophobicContact CG1-CE1 3.91Å; V881-Y900 HydrophobicContact CG2-CE1 4.24Å; V881-Y900 WeakPolarHBondContact O-CA 3.45Å; V881-V901 PolarHBondContact O-N 2.83Å; V881-A925 CarbonylContact C-O 3.45Å; V881-A925 WeakPolarHBondContact CA-O 3.16Å; V881-A925 HydrophobicContact CG2-CB 4.4Å; V881-A927 HydrophobicContact CG1-CB 3.78Å
882	Y	98.4	Very high	94.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.2	-178.7	-147.4	-63.2	0	0	0	111.5	D805 F808 L871 V901 C915 V918 A919 A925 H926 A927	D805-Y882 HydrophobicContact CB-CE2 4.36Å; D805-Y882 WeakPolarHBondContact CB-OH 3.16Å; D805-Y882 PolarHBondContact OD2-OH 3.32Å; D805-Y882 VanDerWaalsContact OD2-OH 3.08Å; F808-Y882 WeakPolarHBondContact CE2-OH 3.44Å; F808-Y882 VanDerWaalsContact CZ-OH 3.29Å; F808-Y882 WeakPolarHBondContact CZ-OH 3.38Å; L871-Y882 HydrophobicContact CD2-CD2 4.01Å; L871-Y882 HydrophobicContact CD2-CE2 3.98Å; Y882-V901 HydrophobicContact CD2-CB 4.01Å; Y882-V901 HydrophobicContact CD2-CG1 3.9Å; Y882-V901 HydrophobicContact CE1-CG1 4.38Å; Y882-V901 HydrophobicContact CE2-CB 4.26Å; Y882-V901 HydrophobicContact CE2-CG1 3.63Å; Y882-V901 HydrophobicContact CG-CB 4.18Å; Y882-V901 HydrophobicContact CG-CG1 4.4Å; Y882-C915 HydrophobicContact CD1-CB 4.03Å; Y882-C915 HydrophobicContact CE1-CB 3.6Å; Y882-V918 HydrophobicContact CE2-CG1 4.01Å; Y882-A919 HydrophobicContact CG-CB 4.24Å; Y882-A925 PolarHBondContact N-O 3.38Å; Y882-H926 CarbonylContact O-C 3.53Å; Y882-H926 WeakPolarHBondContact O-CA 3.39Å; Y882-H926 WeakPolarHBondContact O-CB 3.31Å; Y882-A927 PolarHBondContact O-N 2.92Å
883	L	97.8	Very high	94.8	Very high	15 Å²	15	55.1 Å²	55.1	8%	0.079	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.7	-178	-60.4	179.3	0	0	0	111.8	L891 Y900 V901 I902 A927 V948 L952	L883-L891 HydrophobicContact CD2-CD2 4Å; L883-Y900 HydrophobicContact CD2-CD1 4.1Å; L883-V901 WeakPolarHBondContact CB-O 3.39Å; L883-V901 PolarHBondContact N-O 3.19Å; L883-I902 HydrophobicContact CD1-CG1 4.28Å; L883-A927 CarbonylContact C-O 3.37Å; L883-A927 VanDerWaalsContact CA-O 3.3Å; L883-A927 WeakPolarHBondContact CA-O 3.48Å; L883-A927 HydrophobicContact CD2-CB 4.4Å; L883-V948 HydrophobicContact CD1-CG1 3.93Å; L883-L952 HydrophobicContact CD1-CD1 3.74Å; L883-L952 HydrophobicContact CD1-CD2 4.33Å; L883-L952 HydrophobicContact CD1-CG 4.48Å
884	S	95.1	Very high	95.1	Very high	10 Å²	10	50.7 Å²	50.7	7%	0.07	28%	0.279	C	S	.	.			trans	-145.3	136.4	174	170.8	0	0	0	0	110.1	E886 S887 A927 R928	S884-E886 PolarHBondContact O-N 3.18Å; S884-E886 PolarHBondContact OG-N 2.84Å; S884-E886 PolarHBondContact OG-OE2 2.93Å; S884-E886 VanDerWaalsContact OG-OE2 3.05Å; S884-S887 WeakPolarHBondContact O-CB 3.15Å; S884-S887 PolarHBondContact O-N 3.37Å; S884-A927 PolarHBondContact N-O 3.46Å; S884-R928 WeakPolarHBondContact O-CA 3.39Å; S884-R928 WeakPolarHBondContact O-CB 3.33Å
885	S	91.8	Very high	95.2	Very high	47 Å²	47	52 Å²	52	33%	0.329	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.4	177.5	41.6	0	0	0	0	114
886	E	91.3	Very high	95.1	Very high	74 Å²	74	56.1 Å²	56.1	35%	0.346	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-7.4	-178.5	-62.9	91.5	147.6	0	0	112.7	S884 G913 L916	S884-E886 PolarHBondContact O-N 3.18Å; S884-E886 PolarHBondContact OG-N 2.84Å; S884-E886 PolarHBondContact OG-OE2 2.93Å; S884-E886 VanDerWaalsContact OG-OE2 3.05Å; E886-G913 PolarHBondContact OE1-N 3.27Å; E886-L916 HydrophobicContact CB-CD2 4.23Å
887	S	94.7	Very high	95.1	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.014	30%	0.298	C	S	.	.			trans	-61.1	132.4	176	170.4	0	0	0	0	110.7	S884 N889 H926 A927 R928	S884-S887 WeakPolarHBondContact O-CB 3.15Å; S884-S887 PolarHBondContact O-N 3.37Å; S887-N889 VanDerWaalsContact C-N 3.26Å; S887-N889 PolarHBondContact O-N 3.22Å; S887-N889 PolarHBondContact OG-N 3.5Å; S887-N889 PolarHBondContact OG-O 3.26Å; S887-H926 PolarHBondContact OG-ND1 3.39Å; S887-H926 PolarHBondContact OG-O 3Å; S887-A927 VanDerWaalsContact CB-C 3.47Å; S887-A927 VanDerWaalsContact OG-CA 3.26Å; S887-A927 WeakPolarHBondContact OG-CA 3.35Å; S887-A927 PolarHBondContact OG-N 3.3Å; S887-R928 VanDerWaalsContact O-CD 3.23Å; S887-R928 WeakPolarHBondContact O-CD 3.48Å; S887-R928 WeakPolarHBondContact O-CG 3.48Å
888	P	92.6	Very high	95.3	Very high	97 Å²	97	52 Å²	52	63%	0.63	29%	0.287	S	S	*	.	S	Bend	trans	-69	-25.1	173.7	28.9	-35.4	0	0	0	112.7	C890	P888-C890 PolarHBondContact O-N 2.88Å
889	N	96.2	Very high	95.5	Very high	81 Å²	81	48 Å²	48	43%	0.433	26%	0.26	S	S	.	.	S	Bend	trans	-79.5	120.2	-177.7	-49.4	-39.2	0	0	0	110.5	S887 H926 A927 R928	S887-N889 VanDerWaalsContact C-N 3.26Å; S887-N889 PolarHBondContact O-N 3.22Å; S887-N889 PolarHBondContact OG-N 3.5Å; S887-N889 PolarHBondContact OG-O 3.26Å; N889-H926 WeakPolarHBondContact CB-O 3.34Å; N889-H926 PolarHBondContact ND2-CE1 2.9Å; N889-H926 VanDerWaalsContact ND2-CE1 3.28Å; N889-H926 PolarHBondContact ND2-ND1 3.19Å; N889-H926 PolarHBondContact ND2-O 3.4Å; N889-A927 CarbonylContact O-C 3.57Å; N889-A927 VanDerWaalsContact O-CA 3.29Å; N889-A927 WeakPolarHBondContact O-CA 3.39Å; N889-R928 WeakPolarHBondContact O-CG 3.41Å; N889-R928 PolarHBondContact O-N 3.28Å
890	C	94.6	Very high	95.5	Very high	38 Å²	38	46.6 Å²	46.6	26%	0.257	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-82.2	140.8	175.5	-150.3	0	0	0	0	110.8	P888 P930	P888-C890 PolarHBondContact O-N 2.88Å; C890-P930 VanDerWaalsContact SG-CB 3.55Å
891	L	95.9	Very high	95.5	Very high	14 Å²	14	46.6 Å²	46.6	7%	0.073	25%	0.252	C	S	.	.			trans	-92.7	97.4	178.3	-175.6	59.9	0	0	0	111	L883 E893 L894 Y900 A927 R928 L929 P930 W961	L883-L891 HydrophobicContact CD2-CD2 4Å; L891-E893 VanDerWaalsContact CD1-O 3.27Å; L891-E893 WeakPolarHBondContact CD1-O 3.15Å; L891-L894 HydrophobicContact CD2-CD2 3.75Å; L891-L894 HydrophobicContact CG-CD2 4.38Å; L891-Y900 HydrophobicContact CD1-CD1 4.49Å; L891-Y900 HydrophobicContact CD1-CE1 3.49Å; L891-Y900 VanDerWaalsContact CD1-CE1 3.49Å; L891-Y900 HydrophobicContact CD2-CD1 3.88Å; L891-Y900 HydrophobicContact CD2-CE1 3.62Å; L891-Y900 HydrophobicContact CG-CE1 4.21Å; L891-A927 HydrophobicContact CB-CB 4.07Å; L891-A927 HydrophobicContact CD1-CB 4.48Å; L891-R928 VanDerWaalsContact CB-O 3.3Å; L891-R928 WeakPolarHBondContact CB-O 3.48Å; L891-R928 PolarHBondContact N-O 2.94Å; L891-L929 HydrophobicContact CD2-CD2 4.21Å; L891-P930 VanDerWaalsContact O-CD 3.27Å; L891-P930 WeakPolarHBondContact O-CD 3.46Å; L891-P930 VanDerWaalsContact O-CG 3.3Å; L891-P930 WeakPolarHBondContact O-CG 3.28Å; L891-W961 HydrophobicContact CD2-CH2 4.08Å; L891-W961 HydrophobicContact CD2-CZ2 4.19Å; L891-W961 HydrophobicContact CG-CH2 4.43Å; L891-W961 HydrophobicContact CG-CZ2 4.05Å; L891-W961 WeakPolarHBondContact O-CZ2 3.11Å; L891-W961 PolarHBondContact O-NE1 2.89Å
892	D	91.5	Very high	95.5	Very high	119 Å²	119	46 Å²	46	64%	0.636	25%	0.248	S	C	*	.			trans	-76.7	-43.9	-176.4	-60	-41.8	0	0	0	112.8	Y955 W961	D892-Y955 PolarHBondContact O-OH 2.86Å; D892-W961 PolarHBondContact O-NE1 3.17Å
893	E	94.5	Very high	95.5	Very high	146 Å²	146	46.5 Å²	46.5	68%	0.682	25%	0.253	S	S	*	.	S	Bend	trans	-140.1	159.5	179.3	-62	-171.2	171.8	0	0	111.6	L891 Y900 Y955	L891-E893 VanDerWaalsContact CD1-O 3.27Å; L891-E893 WeakPolarHBondContact CD1-O 3.15Å; E893-Y900 PolarHBondContact O-OH 3.2Å; E893-Y955 WeakPolarHBondContact CA-OH 3.42Å
894	L	95.8	Very high	95.5	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.047	25%	0.249	C	C	.	.			trans	-89.6	121.3	171.6	-60.9	-174.2	0	0	0	110.4	Q800 L891 Y900 L952 Y955 T956 W961	Q800-L894 HydrophobicContact CG-CD1 4.29Å; L891-L894 HydrophobicContact CD2-CD2 3.75Å; L891-L894 HydrophobicContact CG-CD2 4.38Å; L894-Y900 WeakPolarHBondContact CA-OH 3.3Å; L894-Y900 HydrophobicContact CB-CE2 4.07Å; L894-Y900 HydrophobicContact CD2-CD1 4.36Å; L894-Y900 HydrophobicContact CD2-CD2 3.91Å; L894-Y900 HydrophobicContact CD2-CE1 4.05Å; L894-Y900 HydrophobicContact CD2-CE2 3.56Å; L894-Y900 HydrophobicContact CD2-CG 4.29Å; L894-Y900 HydrophobicContact CG-CE2 4.35Å; L894-L952 HydrophobicContact CD1-CD2 4.31Å; L894-L952 HydrophobicContact CD2-CD2 3.86Å; L894-Y955 HydrophobicContact CB-CD1 4.22Å; L894-Y955 HydrophobicContact CB-CE1 4.07Å; L894-Y955 HydrophobicContact CD1-CD1 3.51Å; L894-Y955 HydrophobicContact CD1-CE1 4.2Å; L894-Y955 HydrophobicContact CD1-CG 4.34Å; L894-Y955 HydrophobicContact CG-CD1 3.51Å; L894-Y955 HydrophobicContact CG-CE1 3.71Å; L894-Y955 HydrophobicContact CG-CG 4.47Å; L894-T956 HydrophobicContact CD1-CG2 3.92Å; L894-W961 HydrophobicContact CD2-CH2 4.11Å; L894-W961 HydrophobicContact CD2-CZ2 4.31Å
895	D	95.2	Very high	95.5	Very high	67 Å²	67	46.5 Å²	46.5	36%	0.358	25%	0.252	S	S	.	.			trans	-88.6	118.8	171	178.6	-8.3	0	0	0	109.2	Q800 T897 K898 Y900	Q800-D895 PolarHBondContact NE2-O 2.85Å; Q800-D895 PolarHBondContact OE1-O 2.67Å; D895-T897 PolarHBondContact O-N 2.6Å; D895-T897 WeakPolarHBondContact OD1-CB 3.35Å; D895-T897 WeakPolarHBondContact OD1-CG2 3.28Å; D895-T897 PolarHBondContact OD1-N 2.81Å; D895-T897 PolarHBondContact OD1-OG1 2.76Å; D895-T897 PolarHBondContact OD2-OG1 2.96Å; D895-K898 HydrophobicContact CB-CB 4.33Å; D895-K898 HydrophobicContact CB-CG 3.75Å; D895-K898 PolarHBondContact O-N 2.87Å; D895-K898 WeakPolarHBondContact OD2-CG 3.09Å; D895-Y900 PolarHBondContact N-OH 2.77Å
896	E	94	Very high	95.6	Very high	99 Å²	99	44.9 Å²	44.9	46%	0.463	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20	-177.9	-65.9	-174	-175.4	0	0	112.9	K898 R959	E896-K898 VanDerWaalsContact C-N 3.29Å; E896-R959 IonicContact OE1-CZ 3.11Å; E896-R959 IonicContact OE1-NH2 3.22Å; E896-R959 PolarHBondContact OE1-NH2 3.04Å
897	T	95.4	Very high	95.5	Very high	80 Å²	80	42.5 Å²	42.5	49%	0.491	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.2	172.7	73.9	0	0	0	0	112.4	R801 D895	R801-T897 PolarHBondContact NH2-O 2.84Å; D895-T897 PolarHBondContact O-N 2.6Å; D895-T897 WeakPolarHBondContact OD1-CB 3.35Å; D895-T897 WeakPolarHBondContact OD1-CG2 3.28Å; D895-T897 PolarHBondContact OD1-N 2.81Å; D895-T897 PolarHBondContact OD1-OG1 2.76Å; D895-T897 PolarHBondContact OD2-OG1 2.96Å
898	K	97.9	Very high	95.1	Very high	54 Å²	54	47.8 Å²	47.8	24%	0.235	25%	0.254	C	S	.	.	S	Bend	trans	-93	159.7	-177.7	-57	-58.8	179.9	-169.5	0	113.2	Q800 S878 D879 V881 D895 E896 Y900	Q800-K898 PolarHBondContact NE2-O 3.03Å; S878-K898 PolarHBondContact O-NZ 2.92Å; D879-K898 CarbonylContact O-C 3.37Å; D879-K898 VanDerWaalsContact O-CA 3.25Å; D879-K898 WeakPolarHBondContact O-CA 3.41Å; D879-K898 WeakPolarHBondContact O-CB 3.4Å; D879-K898 WeakPolarHBondContact O-CD 3.4Å; V881-K898 HydrophobicContact CG2-CB 4.18Å; V881-K898 HydrophobicContact CG2-CD 4.44Å; V881-K898 HydrophobicContact CG2-CG 4.21Å; D895-K898 HydrophobicContact CB-CB 4.33Å; D895-K898 HydrophobicContact CB-CG 3.75Å; D895-K898 PolarHBondContact O-N 2.87Å; D895-K898 WeakPolarHBondContact OD2-CG 3.09Å; E896-K898 VanDerWaalsContact C-N 3.29Å; K898-Y900 HydrophobicContact CB-CE2 4.17Å
899	V	98.3	Very high	94.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.1	165.9	60.2	0	0	0	0	109.7	R801 A803 F875 D879 I880 V881 V901	R801-V899 HydrophobicContact CB-CB 3.97Å; R801-V899 HydrophobicContact CB-CG2 3.94Å; R801-V899 WeakPolarHBondContact O-CA 3.44Å; A803-V899 HydrophobicContact CB-CG2 3.96Å; F875-V899 HydrophobicContact CB-CG1 4.09Å; F875-V899 HydrophobicContact CD1-CG1 4.14Å; F875-V899 HydrophobicContact CD2-CG1 4.03Å; F875-V899 HydrophobicContact CD2-CG2 4.42Å; F875-V899 HydrophobicContact CE1-CG2 4.33Å; F875-V899 HydrophobicContact CE2-CG1 4.47Å; F875-V899 HydrophobicContact CE2-CG2 4.04Å; F875-V899 HydrophobicContact CG-CG1 3.84Å; F875-V899 HydrophobicContact CZ-CG2 3.99Å; D879-V899 PolarHBondContact O-N 2.89Å; I880-V899 HydrophobicContact CB-CG1 4.19Å; I880-V899 HydrophobicContact CG1-CG1 3.77Å; I880-V899 HydrophobicContact CG2-CG1 4.49Å; V881-V899 PolarHBondContact N-O 2.83Å; V899-V901 HydrophobicContact CG2-CG2 4.49Å
900	Y	98.6	Very high	93.9	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.027	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.6	177.6	-65.8	-82.5	0	0	0	110.1	R801 V802 A803 V881 L883 L891 E893 L894 D895 K898	R801-Y900 PolarHBondContact O-N 2.8Å; R801-Y900 VanDerWaalsContact O-N 3.09Å; V802-Y900 WeakPolarHBondContact CA-O 3.32Å; A803-Y900 PolarHBondContact N-O 2.99Å; V881-Y900 HydrophobicContact CB-CD1 3.84Å; V881-Y900 HydrophobicContact CB-CE1 3.9Å; V881-Y900 HydrophobicContact CG1-CD1 3.97Å; V881-Y900 HydrophobicContact CG1-CE1 3.91Å; V881-Y900 HydrophobicContact CG2-CE1 4.24Å; V881-Y900 WeakPolarHBondContact O-CA 3.45Å; L883-Y900 HydrophobicContact CD2-CD1 4.1Å; L891-Y900 HydrophobicContact CD1-CD1 4.49Å; L891-Y900 HydrophobicContact CD1-CE1 3.49Å; L891-Y900 VanDerWaalsContact CD1-CE1 3.49Å; L891-Y900 HydrophobicContact CD2-CD1 3.88Å; L891-Y900 HydrophobicContact CD2-CE1 3.62Å; L891-Y900 HydrophobicContact CG-CE1 4.21Å; E893-Y900 PolarHBondContact O-OH 3.2Å; L894-Y900 WeakPolarHBondContact CA-OH 3.3Å; L894-Y900 HydrophobicContact CB-CE2 4.07Å; L894-Y900 HydrophobicContact CD2-CD1 4.36Å; L894-Y900 HydrophobicContact CD2-CD2 3.91Å; L894-Y900 HydrophobicContact CD2-CE1 4.05Å; L894-Y900 HydrophobicContact CD2-CE2 3.56Å; L894-Y900 HydrophobicContact CD2-CG 4.29Å; L894-Y900 HydrophobicContact CG-CE2 4.35Å; D895-Y900 PolarHBondContact N-OH 2.77Å; K898-Y900 HydrophobicContact CB-CE2 4.17Å
901	V	98.5	Very high	93.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.1	-171.8	-173.3	0	0	0	0	111	A803 D805 L871 I880 V881 Y882 L883 V899	A803-V901 HydrophobicContact CB-CG2 4.3Å; A803-V901 CarbonylContact O-C 3.54Å; A803-V901 WeakPolarHBondContact O-CA 3.29Å; D805-V901 HydrophobicContact CB-CG1 3.84Å; L871-V901 HydrophobicContact CD1-CG1 4.27Å; L871-V901 HydrophobicContact CD1-CG2 3.74Å; L871-V901 HydrophobicContact CD2-CG1 4.12Å; L871-V901 HydrophobicContact CD2-CG2 4.13Å; I880-V901 HydrophobicContact CG2-CG2 3.59Å; V881-V901 PolarHBondContact O-N 2.83Å; Y882-V901 HydrophobicContact CD2-CB 4.01Å; Y882-V901 HydrophobicContact CD2-CG1 3.9Å; Y882-V901 HydrophobicContact CE1-CG1 4.38Å; Y882-V901 HydrophobicContact CE2-CB 4.26Å; Y882-V901 HydrophobicContact CE2-CG1 3.63Å; Y882-V901 HydrophobicContact CG-CB 4.18Å; Y882-V901 HydrophobicContact CG-CG1 4.4Å; L883-V901 WeakPolarHBondContact CB-O 3.39Å; L883-V901 PolarHBondContact N-O 3.19Å; V899-V901 HydrophobicContact CG2-CG2 4.49Å
902	I	98.4	Very high	93	Very high	8 Å²	8	58.4 Å²	58.4	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.8	175.2	-53.4	172.2	0	0	0	108.1	V802 A803 V804 D805 L883 G904 I945 V948 F949 L952	V802-I902 HydrophobicContact CG1-CD1 3.88Å; V802-I902 HydrophobicContact CG1-CG1 4.3Å; A803-I902 PolarHBondContact O-N 2.81Å; V804-I902 CarbonylContact C-O 3.54Å; V804-I902 WeakPolarHBondContact CA-O 3.34Å; V804-I902 HydrophobicContact CG2-CB 4.48Å; D805-I902 PolarHBondContact N-O 3.14Å; L883-I902 HydrophobicContact CD1-CG1 4.28Å; I902-G904 PolarHBondContact O-N 2.75Å; I902-I945 HydrophobicContact CG2-CB 4.49Å; I902-I945 HydrophobicContact CG2-CG2 4.07Å; I902-V948 HydrophobicContact CD1-CB 4.08Å; I902-V948 HydrophobicContact CD1-CG1 3.73Å; I902-V948 HydrophobicContact CG1-CB 4.45Å; I902-V948 HydrophobicContact CG1-CG1 3.76Å; I902-V948 HydrophobicContact CG2-CB 4.32Å; I902-V948 HydrophobicContact CG2-CG1 4.28Å; I902-F949 HydrophobicContact CD1-CB 3.77Å; I902-F949 HydrophobicContact CD1-CD2 4.23Å; I902-L952 HydrophobicContact CD1-CD1 4.17Å; I902-L952 HydrophobicContact CG1-CD1 4.45Å
903	G	97.7	Very high	92.9	Very high	10 Å²	10	53.2 Å²	53.2	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	120.7	171.4	0	0	0	0	0	111.6	L905	G903-L905 PolarHBondContact O-N 2.98Å
904	G	96.8	Very high	92.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.241	C	C	.	.			trans	-74.1	43.4	174.6	0	0	0	0	0	113.4	D805 M812 I902	D805-G904 WeakPolarHBondContact O-CA 3.35Å; D805-G904 PolarHBondContact O-N 2.77Å; M812-G904 VanDerWaalsContact CE-O 3.29Å; M812-G904 WeakPolarHBondContact CE-O 3.27Å; I902-G904 PolarHBondContact O-N 2.75Å
905	L	95.2	Very high	92.6	Very high	24 Å²	24	50.5 Å²	50.5	13%	0.126	25%	0.246	C	C	.	.			trans	-111.4	126.4	-172.3	177.1	54.4	0	0	0	110.8	F808 L811 M812 G903 D907 K914	F808-L905 HydrophobicContact CB-CB 4.11Å; F808-L905 HydrophobicContact CB-CD1 3.85Å; F808-L905 HydrophobicContact CB-CG 4.41Å; F808-L905 HydrophobicContact CD1-CD2 4.25Å; F808-L905 HydrophobicContact CD2-CB 3.92Å; F808-L905 HydrophobicContact CG-CB 3.93Å; F808-L905 HydrophobicContact CG-CD1 4.4Å; F808-L905 HydrophobicContact CG-CD2 4.39Å; F808-L905 HydrophobicContact CG-CG 4.46Å; L811-L905 HydrophobicContact CB-CD1 4.08Å; M812-L905 HydrophobicContact CG-CD1 3.67Å; M812-L905 HydrophobicContact SD-CD1 4.28Å; G903-L905 PolarHBondContact O-N 2.98Å; L905-D907 HydrophobicContact CD1-CB 3.87Å; L905-D907 HydrophobicContact CD2-CB 4.22Å; L905-D907 HydrophobicContact CG-CB 3.87Å; L905-K914 HydrophobicContact CD2-CG 4.47Å
906	V	94.8	Very high	92.6	Very high	14 Å²	14	48.3 Å²	48.3	9%	0.085	23%	0.234	C	C	.	.			trans	-113.7	96.2	168.6	-179.4	0	0	0	0	108.4	M812 D816 K819 A820 I945	M812-V906 HydrophobicContact SD-CB 4.18Å; M812-V906 PolarHBondContact SD-N 2.6Å; D816-V906 HydrophobicContact CB-CB 4.22Å; D816-V906 HydrophobicContact CB-CG1 4.23Å; D816-V906 WeakPolarHBondContact CB-O 3.21Å; K819-V906 HydrophobicContact CB-CG1 4.14Å; K819-V906 HydrophobicContact CB-CG2 4.4Å; K819-V906 HydrophobicContact CD-CG1 4.01Å; A820-V906 HydrophobicContact CB-CG2 3.83Å; V906-I945 HydrophobicContact CG2-CD1 4.13Å
907	D	89.9	Confident	92.7	Very high	23 Å²	23	47.1 Å²	47.1	12%	0.123	23%	0.231	C	C	.	.			trans	-123.1	4.1	-173	74	-29.8	0	0	0	113.4	L905 N909 H910 Y911	L905-D907 HydrophobicContact CD1-CB 3.87Å; L905-D907 HydrophobicContact CD2-CB 4.22Å; L905-D907 HydrophobicContact CG-CB 3.87Å; D907-N909 VanDerWaalsContact CG-N 3.28Å; D907-N909 PolarHBondContact O-N 3.08Å; D907-N909 WeakPolarHBondContact OD1-CA 3.34Å; D907-N909 PolarHBondContact OD1-N 2.9Å; D907-N909 VanDerWaalsContact OD2-CA 3.29Å; D907-N909 WeakPolarHBondContact OD2-CA 3.4Å; D907-N909 PolarHBondContact OD2-N 2.83Å; D907-H910 VanDerWaalsContact O-CB 3.31Å; D907-H910 WeakPolarHBondContact O-CB 3.5Å; D907-H910 PolarHBondContact O-CD2 3.27Å; D907-H910 VanDerWaalsContact O-CG 3.32Å; D907-H910 PolarHBondContact O-N 3.21Å; D907-H910 PolarHBondContact OD2-N 3.37Å; D907-Y911 HydrophobicContact CB-CD2 3.75Å; D907-Y911 HydrophobicContact CB-CE2 4.42Å; D907-Y911 PolarHBondContact OD2-N 3.28Å
908	H	84.6	Confident	92.6	Very high	113 Å²	113	44.6 Å²	44.6	52%	0.523	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	22.4	-173	-63.8	-70.7	0	0	0	114.6	D816 K819 R940	D816-H908 IonicContact OD1-NE2 3.61Å; K819-H908 PolarHBondContact NZ-NE2 3.22Å; H908-R940 PolarHBondContact O-NH1 3.3Å
909	N	81.5	Confident	92.5	Very high	35 Å²	35	42 Å²	42	19%	0.187	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	33.2	-173	-164.6	65.8	0	0	0	114.6	D907 K912 V942	D907-N909 VanDerWaalsContact CG-N 3.28Å; D907-N909 PolarHBondContact O-N 3.08Å; D907-N909 WeakPolarHBondContact OD1-CA 3.34Å; D907-N909 PolarHBondContact OD1-N 2.9Å; D907-N909 VanDerWaalsContact OD2-CA 3.29Å; D907-N909 WeakPolarHBondContact OD2-CA 3.4Å; D907-N909 PolarHBondContact OD2-N 2.83Å; N909-K912 VanDerWaalsContact ND2-CE 3.35Å; N909-K912 WeakPolarHBondContact ND2-CE 3.32Å; N909-V942 WeakPolarHBondContact OD1-CG2 3.24Å
910	H	82.8	Confident	92.3	Very high	152 Å²	152	46.5 Å²	46.5	70%	0.704	23%	0.225	S	C	*	.	S	Bend	trans	-71.6	-31.4	169.7	-75.5	-63.4	0	0	0	112.2	D907	D907-H910 VanDerWaalsContact O-CB 3.31Å; D907-H910 WeakPolarHBondContact O-CB 3.5Å; D907-H910 PolarHBondContact O-CD2 3.27Å; D907-H910 VanDerWaalsContact O-CG 3.32Å; D907-H910 PolarHBondContact O-N 3.21Å; D907-H910 PolarHBondContact OD2-N 3.37Å
911	Y	86.7	Confident	91.9	Very high	110 Å²	110	48.8 Å²	48.8	43%	0.431	24%	0.243	S	C	.	.	S	Bend	trans	-113.9	69.5	-177.1	-56.9	-74.6	0	0	0	111.4	L811 D907 K914	L811-Y911 HydrophobicContact CB-CD2 4.29Å; L811-Y911 HydrophobicContact CB-CE2 3.9Å; L811-Y911 HydrophobicContact CD2-CE1 4.36Å; L811-Y911 HydrophobicContact CD2-CE2 4.46Å; D907-Y911 HydrophobicContact CB-CD2 3.75Å; D907-Y911 HydrophobicContact CB-CE2 4.42Å; D907-Y911 PolarHBondContact OD2-N 3.28Å; Y911-K914 WeakPolarHBondContact O-CB 3.2Å; Y911-K914 PolarHBondContact O-N 2.96Å
912	K	83.9	Confident	91.6	Very high	156 Å²	156	52 Å²	52	68%	0.678	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	138.2	176.8	-65	-177.2	-176.9	177.5	0	111.2	N909 K914	N909-K912 VanDerWaalsContact ND2-CE 3.35Å; N909-K912 WeakPolarHBondContact ND2-CE 3.32Å; K912-K914 PolarHBondContact O-N 3.36Å
913	G	89.4	Confident	91.3	Very high	11 Å²	11	54.1 Å²	54.1	11%	0.113	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-1.1	177.7	0	0	0	0	0	115.3	E886 C915 L916 D917	E886-G913 PolarHBondContact OE1-N 3.27Å; G913-C915 VanDerWaalsContact C-N 3.29Å; G913-C915 PolarHBondContact O-N 3.4Å; G913-C915 VanDerWaalsContact O-N 3.16Å; G913-L916 WeakPolarHBondContact O-CA 3.36Å; G913-L916 VanDerWaalsContact O-CB 3.3Å; G913-L916 WeakPolarHBondContact O-CB 3.47Å; G913-L916 PolarHBondContact O-N 3.26Å; G913-D917 PolarHBondContact O-N 3.31Å
914	K	92	Very high	91.2	Very high	74 Å²	74	54.1 Å²	54.1	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-58.5	-37.7	-173	-175.4	57.6	178.6	173.4	0	114.1	F808 L811 L905 Y911 K912 V918	F808-K914 HydrophobicContact CE1-CG 4.17Å; L811-K914 HydrophobicContact CD1-CD 4.38Å; L811-K914 HydrophobicContact CD1-CG 4.03Å; L905-K914 HydrophobicContact CD2-CG 4.47Å; Y911-K914 WeakPolarHBondContact O-CB 3.2Å; Y911-K914 PolarHBondContact O-N 2.96Å; K912-K914 PolarHBondContact O-N 3.36Å; K914-V918 WeakPolarHBondContact O-CG2 3.41Å; K914-V918 PolarHBondContact O-N 2.78Å; K914-V918 VanDerWaalsContact O-N 3.13Å
915	C	93.3	Very high	91.3	Very high	23 Å²	23	56.8 Å²	56.8	16%	0.155	30%	0.303	C	S	.	.	H	α-helix	trans	-68.4	-35.9	175.4	-69.7	0	0	0	0	112.2	Y882 G913 V918 A919	Y882-C915 HydrophobicContact CD1-CB 4.03Å; Y882-C915 HydrophobicContact CE1-CB 3.6Å; G913-C915 VanDerWaalsContact C-N 3.29Å; G913-C915 PolarHBondContact O-N 3.4Å; G913-C915 VanDerWaalsContact O-N 3.16Å; C915-V918 PolarHBondContact O-N 2.86Å; C915-A919 PolarHBondContact O-N 3.43Å
916	L	95.8	Very high	91.4	Very high	21 Å²	21	57 Å²	57	11%	0.11	30%	0.303	C	S	.	.	H	α-helix	trans	-66.1	-45.4	174.3	179.9	62	0	0	0	110.6	E886 G913 V918 A919 E920 H926	E886-L916 HydrophobicContact CB-CD2 4.23Å; G913-L916 WeakPolarHBondContact O-CA 3.36Å; G913-L916 VanDerWaalsContact O-CB 3.3Å; G913-L916 WeakPolarHBondContact O-CB 3.47Å; G913-L916 PolarHBondContact O-N 3.26Å; L916-V918 VanDerWaalsContact C-N 3.28Å; L916-V918 PolarHBondContact O-N 3.46Å; L916-A919 WeakPolarHBondContact O-CB 3.46Å; L916-A919 PolarHBondContact O-N 2.99Å; L916-E920 HydrophobicContact CD1-CG 4.17Å; L916-E920 HydrophobicContact CG-CG 4.38Å; L916-E920 PolarHBondContact O-N 3.44Å; L916-H926 HydrophobicContact CD1-CB 4.11Å; L916-H926 VanDerWaalsContact CD1-CG 3.42Å; L916-H926 VanDerWaalsContact CD1-ND1 3.31Å; L916-H926 WeakPolarHBondContact CD1-ND1 3.3Å
917	D	95	Very high	91.5	Very high	74 Å²	74	56.6 Å²	56.6	40%	0.396	30%	0.302	S	S	.	.	H	α-helix	trans	-57.3	-42.1	176.7	-63.5	-18.6	0	0	0	111.7	G913 A919 S921	G913-D917 PolarHBondContact O-N 3.31Å; D917-A919 VanDerWaalsContact C-N 3.33Å; D917-S921 WeakPolarHBondContact O-CB 3.41Å; D917-S921 PolarHBondContact O-N 3.24Å; D917-S921 PolarHBondContact O-OG 2.91Å
918	V	93.2	Very high	91.8	Very high	28 Å²	28	57.7 Å²	57.7	17%	0.17	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-42.8	176.7	168.6	0	0	0	0	110.7	F808 Y882 K914 C915 L916 N922	F808-V918 HydrophobicContact CE1-CG2 4.1Å; F808-V918 HydrophobicContact CZ-CG2 4.39Å; Y882-V918 HydrophobicContact CE2-CG1 4.01Å; K914-V918 WeakPolarHBondContact O-CG2 3.41Å; K914-V918 PolarHBondContact O-N 2.78Å; K914-V918 VanDerWaalsContact O-N 3.13Å; C915-V918 PolarHBondContact O-N 2.86Å; L916-V918 VanDerWaalsContact C-N 3.28Å; L916-V918 PolarHBondContact O-N 3.46Å; V918-N922 WeakPolarHBondContact O-CB 3.47Å; V918-N922 PolarHBondContact O-N 2.98Å; V918-N922 PolarHBondContact O-ND2 3.42Å
919	A	95.2	Very high	92.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-51.2	178.7	0	0	0	0	0	112	Y882 C915 L916 D917 S921 N922 G923 I924 H926	Y882-A919 HydrophobicContact CG-CB 4.24Å; C915-A919 PolarHBondContact O-N 3.43Å; L916-A919 WeakPolarHBondContact O-CB 3.46Å; L916-A919 PolarHBondContact O-N 2.99Å; D917-A919 VanDerWaalsContact C-N 3.33Å; A919-S921 PolarHBondContact O-N 3.09Å; A919-N922 PolarHBondContact O-N 2.88Å; A919-G923 PolarHBondContact O-N 2.73Å; A919-G923 VanDerWaalsContact O-N 3.09Å; A919-I924 PolarHBondContact O-N 3.42Å; A919-H926 HydrophobicContact CB-CB 3.82Å
920	E	95.2	Very high	92.9	Very high	93 Å²	93	51.5 Å²	51.5	44%	0.435	28%	0.275	S	S	.	.	H	α-helix	trans	-61.7	-43.5	179.9	-69.8	-172.6	154.2	0	0	111.6	L916 N922 G923	L916-E920 HydrophobicContact CD1-CG 4.17Å; L916-E920 HydrophobicContact CG-CG 4.38Å; L916-E920 PolarHBondContact O-N 3.44Å; E920-N922 PolarHBondContact O-N 3.34Å; E920-G923 PolarHBondContact O-N 2.77Å; E920-G923 VanDerWaalsContact O-N 3.09Å
921	S	91	Very high	93.2	Very high	56 Å²	56	45.2 Å²	45.2	39%	0.392	25%	0.246	S	C	.	.	H	α-helix	trans	-64.9	-28	-179.7	-60	0	0	0	0	113.1	D917 A919	D917-S921 WeakPolarHBondContact O-CB 3.41Å; D917-S921 PolarHBondContact O-N 3.24Å; D917-S921 PolarHBondContact O-OG 2.91Å; A919-S921 PolarHBondContact O-N 3.09Å
922	N	91.7	Very high	93.1	Very high	67 Å²	67	44.2 Å²	44.2	36%	0.358	25%	0.245	S	C	.	.	H	α-helix	trans	-93	-5.4	177.1	-75.9	-79.4	0	0	0	113.4	K877 V918 A919 E920 I924	K877-N922 PolarHBondContact NZ-O 3.44Å; V918-N922 WeakPolarHBondContact O-CB 3.47Å; V918-N922 PolarHBondContact O-N 2.98Å; V918-N922 PolarHBondContact O-ND2 3.42Å; A919-N922 PolarHBondContact O-N 2.88Å; E920-N922 PolarHBondContact O-N 3.34Å; N922-I924 HydrophobicContact CB-CD1 3.57Å; N922-I924 HydrophobicContact CB-CG1 3.82Å
923	G	92.4	Very high	93.2	Very high	53 Å²	53	41.3 Å²	41.3	55%	0.546	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	40.3	-175.2	0	0	0	0	0	112.5	A919 E920	A919-G923 PolarHBondContact O-N 2.73Å; A919-G923 VanDerWaalsContact O-N 3.09Å; E920-G923 PolarHBondContact O-N 2.77Å; E920-G923 VanDerWaalsContact O-N 3.09Å
924	I	95.8	Very high	93	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.051	25%	0.246	C	C	.	.			trans	-108.8	146.1	-177.5	-61.3	171.8	0	0	0	109.4	T872 K877 I880 A919 N922	T872-I924 HydrophobicContact CG2-CD1 3.61Å; K877-I924 HydrophobicContact CG-CG1 4.49Å; I880-I924 HydrophobicContact CB-CG2 3.52Å; I880-I924 HydrophobicContact CD1-CD1 4.17Å; I880-I924 HydrophobicContact CG2-CG2 3.41Å; I880-I924 VanDerWaalsContact CG2-CG2 3.41Å; I880-I924 WeakPolarHBondContact O-CG2 3.26Å; A919-I924 PolarHBondContact O-N 3.42Å; N922-I924 HydrophobicContact CB-CD1 3.57Å; N922-I924 HydrophobicContact CB-CG1 3.82Å
925	A	97.1	Very high	92.5	Very high	56 Å²	56	41.9 Å²	41.9	46%	0.463	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	146.5	175.7	0	0	0	0	0	111.4	V881 Y882	V881-A925 CarbonylContact C-O 3.45Å; V881-A925 WeakPolarHBondContact CA-O 3.16Å; V881-A925 HydrophobicContact CG2-CB 4.4Å; Y882-A925 PolarHBondContact N-O 3.38Å
926	H	98.2	Very high	91.7	Very high	28 Å²	28	46.4 Å²	46.4	13%	0.13	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	150	178	55.9	77.6	0	0	0	111.1	Y882 S887 N889 L916 A919	Y882-H926 CarbonylContact O-C 3.53Å; Y882-H926 WeakPolarHBondContact O-CA 3.39Å; Y882-H926 WeakPolarHBondContact O-CB 3.31Å; S887-H926 PolarHBondContact OG-ND1 3.39Å; S887-H926 PolarHBondContact OG-O 3Å; N889-H926 WeakPolarHBondContact CB-O 3.34Å; N889-H926 PolarHBondContact ND2-CE1 2.9Å; N889-H926 VanDerWaalsContact ND2-CE1 3.28Å; N889-H926 PolarHBondContact ND2-ND1 3.19Å; N889-H926 PolarHBondContact ND2-O 3.4Å; L916-H926 HydrophobicContact CD1-CB 4.11Å; L916-H926 VanDerWaalsContact CD1-CG 3.42Å; L916-H926 VanDerWaalsContact CD1-ND1 3.31Å; L916-H926 WeakPolarHBondContact CD1-ND1 3.3Å; A919-H926 HydrophobicContact CB-CB 3.82Å
927	A	97.4	Very high	90.9	Very high	6 Å²	6	46.6 Å²	46.6	5%	0.05	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	158.8	179.9	0	0	0	0	0	112.1	V881 Y882 L883 S884 S887 N889 L891	V881-A927 HydrophobicContact CG1-CB 3.78Å; Y882-A927 PolarHBondContact O-N 2.92Å; L883-A927 CarbonylContact C-O 3.37Å; L883-A927 VanDerWaalsContact CA-O 3.3Å; L883-A927 WeakPolarHBondContact CA-O 3.48Å; L883-A927 HydrophobicContact CD2-CB 4.4Å; S884-A927 PolarHBondContact N-O 3.46Å; S887-A927 VanDerWaalsContact CB-C 3.47Å; S887-A927 VanDerWaalsContact OG-CA 3.26Å; S887-A927 WeakPolarHBondContact OG-CA 3.35Å; S887-A927 PolarHBondContact OG-N 3.3Å; N889-A927 CarbonylContact O-C 3.57Å; N889-A927 VanDerWaalsContact O-CA 3.29Å; N889-A927 WeakPolarHBondContact O-CA 3.39Å; L891-A927 HydrophobicContact CB-CB 4.07Å; L891-A927 HydrophobicContact CD1-CB 4.48Å
928	R	95.8	Very high	89.4	Confident	45 Å²	45	49.6 Å²	49.6	17%	0.17	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-108.1	149.8	168.2	68.3	172.4	179.5	128.5	14.1	109.8	S884 S887 N889 L891 E932 E933	S884-R928 WeakPolarHBondContact O-CA 3.39Å; S884-R928 WeakPolarHBondContact O-CB 3.33Å; S887-R928 VanDerWaalsContact O-CD 3.23Å; S887-R928 WeakPolarHBondContact O-CD 3.48Å; S887-R928 WeakPolarHBondContact O-CG 3.48Å; N889-R928 WeakPolarHBondContact O-CG 3.41Å; N889-R928 PolarHBondContact O-N 3.28Å; L891-R928 VanDerWaalsContact CB-O 3.3Å; L891-R928 WeakPolarHBondContact CB-O 3.48Å; L891-R928 PolarHBondContact N-O 2.94Å; R928-E932 IonicContact CZ-OE2 3.96Å; R928-E932 IonicContact NH1-OE1 2.84Å; R928-E932 PolarHBondContact NH1-OE1 2.81Å; R928-E932 IonicContact NH1-OE2 3.91Å; R928-E932 PolarHBondContact NH1-OE2 2.82Å; R928-E933 IonicContact CZ-OE1 3.76Å; R928-E933 IonicContact NH1-OE1 2.78Å; R928-E933 IonicContact NH2-OE1 3.73Å; R928-E933 PolarHBondContact NH2-OE1 3.26Å
929	L	95.8	Very high	88.4	Confident	18 Å²	18	51.7 Å²	51.7	9%	0.094	28%	0.281	C	S	.	.			trans	-66.6	143.5	170.7	-64.5	-178.7	0	0	0	110.4	L891 I931 V948 I951 L952 W961 F965	L891-L929 HydrophobicContact CD2-CD2 4.21Å; L929-I931 HydrophobicContact CB-CD1 4.26Å; L929-I931 HydrophobicContact CB-CG1 3.95Å; L929-I931 PolarHBondContact O-N 3.38Å; L929-V948 HydrophobicContact CD1-CG1 4.2Å; L929-I951 HydrophobicContact CD1-CD1 4.42Å; L929-I951 HydrophobicContact CD1-CG2 4.19Å; L929-L952 HydrophobicContact CD2-CD2 4.06Å; L929-W961 HydrophobicContact CD2-CH2 3.84Å; L929-W961 HydrophobicContact CD2-CZ3 3.81Å; L929-F965 HydrophobicContact CB-CZ 4.4Å; L929-F965 HydrophobicContact CD1-CE1 4.5Å
930	P	93.4	Very high	87.5	Confident	1 Å²	1	60 Å²	60	1%	0.006	31%	0.312	C	S	.	.			trans	-79.5	54.3	-176.3	34.7	-38.2	0	0	0	111.9	C890 L891 E933 H934 W961 F965	C890-P930 VanDerWaalsContact SG-CB 3.55Å; L891-P930 VanDerWaalsContact O-CD 3.27Å; L891-P930 WeakPolarHBondContact O-CD 3.46Å; L891-P930 VanDerWaalsContact O-CG 3.3Å; L891-P930 WeakPolarHBondContact O-CG 3.28Å; P930-E933 WeakPolarHBondContact CA-OE2 3.25Å; P930-E933 HydrophobicContact CB-CB 4.35Å; P930-E933 HydrophobicContact CB-CG 4.48Å; P930-H934 PolarHBondContact O-ND1 3.45Å; P930-W961 HydrophobicContact CG-CB 4.17Å; P930-W961 HydrophobicContact CG-CD2 3.5Å; P930-W961 VanDerWaalsContact CG-CD2 3.5Å; P930-W961 HydrophobicContact CG-CE3 4.17Å; P930-W961 HydrophobicContact CG-CG 3.48Å; P930-W961 VanDerWaalsContact CG-CG 3.48Å; P930-W961 HydrophobicContact CG-CZ2 4.33Å; P930-F965 HydrophobicContact CG-CZ 4.38Å; P930-F965 WeakPolarHBondContact O-CE2 3.44Å
931	I	89.3	Confident	86.6	Confident	19 Å²	19	63 Å²	63	10%	0.097	32%	0.32	C	S	.	.	H	α-helix	trans	-68	-43.7	-175.1	-63.5	172.1	0	0	0	110.1	L929 E933 H934 M935 L937 L943 F965	L929-I931 HydrophobicContact CB-CD1 4.26Å; L929-I931 HydrophobicContact CB-CG1 3.95Å; L929-I931 PolarHBondContact O-N 3.38Å; I931-E933 VanDerWaalsContact C-N 3.29Å; I931-E933 PolarHBondContact N-OE2 3.33Å; I931-E933 PolarHBondContact O-N 2.95Å; I931-H934 PolarHBondContact O-N 3.28Å; I931-M935 CarbonylContact O-C 3.44Å; I931-M935 WeakPolarHBondContact O-CA 3.41Å; I931-M935 PolarHBondContact O-N 3.19Å; I931-L937 HydrophobicContact CG2-CD1 3.65Å; I931-L937 HydrophobicContact CG2-CG 4.02Å; I931-L943 HydrophobicContact CD1-CD1 3.73Å; I931-L943 HydrophobicContact CD1-CG 4.24Å; I931-F965 HydrophobicContact CB-CZ 4.35Å; I931-F965 HydrophobicContact CG1-CD1 4.47Å; I931-F965 HydrophobicContact CG1-CE1 3.68Å; I931-F965 HydrophobicContact CG1-CE2 4.44Å; I931-F965 HydrophobicContact CG1-CZ 3.68Å
932	E	84	Confident	86.4	Confident	89 Å²	89	63.1 Å²	63.1	42%	0.416	32%	0.318	S	S	.	.	H	α-helix	trans	-68.9	-31.9	-174.5	-73.7	166.2	-163.4	0	0	112.5	R928 H934 R941	R928-E932 IonicContact CZ-OE2 3.96Å; R928-E932 IonicContact NH1-OE1 2.84Å; R928-E932 PolarHBondContact NH1-OE1 2.81Å; R928-E932 IonicContact NH1-OE2 3.91Å; R928-E932 PolarHBondContact NH1-OE2 2.82Å; E932-H934 PolarHBondContact O-N 2.96Å; E932-R941 VanDerWaalsContact OE1-CD 3.22Å; E932-R941 WeakPolarHBondContact OE1-CD 3.14Å; E932-R941 IonicContact OE1-CZ 2.64Å; E932-R941 IonicContact OE1-NE 2.66Å; E932-R941 PolarHBondContact OE1-NE 3.05Å; E932-R941 IonicContact OE1-NH1 2.83Å; E932-R941 PolarHBondContact OE1-NH1 2.89Å; E932-R941 IonicContact OE1-NH2 2.74Å
933	E	85.9	Confident	86.4	Confident	95 Å²	95	61.2 Å²	61.2	44%	0.444	31%	0.308	S	S	.	.	H	α-helix	trans	-71.4	-22.4	-179.6	-62.9	72.5	-162.4	0	0	111.4	R928 P930 I931	R928-E933 IonicContact CZ-OE1 3.76Å; R928-E933 IonicContact NH1-OE1 2.78Å; R928-E933 IonicContact NH2-OE1 3.73Å; R928-E933 PolarHBondContact NH2-OE1 3.26Å; P930-E933 WeakPolarHBondContact CA-OE2 3.25Å; P930-E933 HydrophobicContact CB-CB 4.35Å; P930-E933 HydrophobicContact CB-CG 4.48Å; I931-E933 VanDerWaalsContact C-N 3.29Å; I931-E933 PolarHBondContact N-OE2 3.33Å; I931-E933 PolarHBondContact O-N 2.95Å
934	H	85.3	Confident	86.5	Confident	76 Å²	76	61.1 Å²	61.1	35%	0.352	30%	0.297	S	S	.	.	H	α-helix	trans	-124.2	-21	-172.6	-61.6	89	0	0	0	115	P930 I931 E932 W961 K962 F965	P930-H934 PolarHBondContact O-ND1 3.45Å; I931-H934 PolarHBondContact O-N 3.28Å; E932-H934 PolarHBondContact O-N 2.96Å; H934-W961 AromaticContact CE1-CD1 3.94Å; H934-K962 HydrophobicContact CB-CB 4.36Å; H934-F965 HydrophobicContact CB-CD2 3.86Å; H934-F965 HydrophobicContact CB-CE2 3.91Å
935	M	81.1	Confident	86.6	Confident	22 Å²	22	60.9 Å²	60.9	11%	0.108	30%	0.296	C	S	.	.			trans	-154.2	131.4	-173.5	-176.1	173.6	-70.9	0	0	113.2	I931 L937 F965 D966 I969 R974	I931-M935 CarbonylContact O-C 3.44Å; I931-M935 WeakPolarHBondContact O-CA 3.41Å; I931-M935 PolarHBondContact O-N 3.19Å; M935-L937 HydrophobicContact CG-CD2 4.14Å; M935-L937 HydrophobicContact SD-CD2 3.85Å; M935-F965 HydrophobicContact CE-CB 3.67Å; M935-F965 HydrophobicContact SD-CB 4.17Å; M935-D966 WeakPolarHBondContact CE-OD1 3.36Å; M935-I969 HydrophobicContact SD-CB 4.2Å; M935-I969 HydrophobicContact SD-CD1 3.98Å; M935-I969 HydrophobicContact SD-CG2 4.19Å; M935-R974 HydrophobicContact CE-CG 4.34Å; M935-R974 HydrophobicContact SD-CG 3.86Å
936	N	77.7	Confident	86.5	Confident	118 Å²	118	59.4 Å²	59.4	63%	0.631	28%	0.28	S	S	*	.			trans	-90.6	117.8	172.3	-162	-9.9	0	0	0	111.3	C975	N936-C975 HydrophobicContact CB-CB 4.14Å; N936-C975 PolarHBondContact O-N 2.96Å
937	L	77.4	Confident	86.4	Confident	25 Å²	25	59.8 Å²	59.8	13%	0.131	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-96.2	133.5	-179.4	-63.8	179	0	0	0	111.6	I931 M935 T939 I969 K973	I931-L937 HydrophobicContact CG2-CD1 3.65Å; I931-L937 HydrophobicContact CG2-CG 4.02Å; M935-L937 HydrophobicContact CG-CD2 4.14Å; M935-L937 HydrophobicContact SD-CD2 3.85Å; L937-T939 PolarHBondContact O-N 3.33Å; L937-I969 HydrophobicContact CD2-CD1 4.13Å; L937-I969 HydrophobicContact CD2-CG2 3.79Å; L937-K973 CarbonylContact C-O 3.49Å; L937-K973 WeakPolarHBondContact CA-O 3.44Å
938	K	65.3	Low	86.4	Confident	137 Å²	137	60.4 Å²	60.4	60%	0.596	29%	0.285	S	S	*	.	S	Bend	trans	-67.1	-19.5	171.1	-74.1	-178.2	177.8	-179.2	0	113.2	K973 R974 C975	K938-K973 PolarHBondContact N-O 2.93Å; K938-R974 VanDerWaalsContact CD-O 3.3Å; K938-R974 WeakPolarHBondContact CD-O 3.3Å; K938-R974 WeakPolarHBondContact CE-O 3.01Å; K938-R974 WeakPolarHBondContact CG-O 3.4Å; K938-C975 HydrophobicContact CG-CB 4.27Å
939	T	71	Confident	86.5	Confident	71 Å²	71	58.3 Å²	58.3	44%	0.436	28%	0.277	S	S	.	.	S	Bend	trans	-119.6	176.5	-172	62.3	0	0	0	0	111.9	L937	L937-T939 PolarHBondContact O-N 3.33Å
940	R	76.3	Confident	86.6	Confident	174 Å²	174	59.2 Å²	59.2	66%	0.657	28%	0.281	S	S	*	.			trans	-47.8	146.4	174.1	-67.4	-179	-103.6	168.3	-8	112.7	H908 V942	H908-R940 PolarHBondContact O-NH1 3.3Å; R940-V942 VanDerWaalsContact C-N 3.3Å; R940-V942 PolarHBondContact O-N 3.33Å
941	R	76.6	Confident	86.8	Confident	157 Å²	157	59.2 Å²	59.2	59%	0.592	28%	0.28	S	S	*	.	S	Bend	trans	-71.4	-20.3	-177.9	-57.6	177.3	-170.7	179.1	1.5	113.9	E932 L943	E932-R941 VanDerWaalsContact OE1-CD 3.22Å; E932-R941 WeakPolarHBondContact OE1-CD 3.14Å; E932-R941 IonicContact OE1-CZ 2.64Å; E932-R941 IonicContact OE1-NE 2.66Å; E932-R941 PolarHBondContact OE1-NE 3.05Å; E932-R941 IonicContact OE1-NH1 2.83Å; E932-R941 PolarHBondContact OE1-NH1 2.89Å; E932-R941 IonicContact OE1-NH2 2.74Å; R941-L943 PolarHBondContact O-N 3.48Å
942	V	86.7	Confident	87.2	Confident	58 Å²	58	58.3 Å²	58.3	35%	0.352	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-72.2	120.6	-178.9	-174.5	0	0	0	0	110.5	N909 R940	N909-V942 WeakPolarHBondContact OD1-CG2 3.24Å; R940-V942 VanDerWaalsContact C-N 3.3Å; R940-V942 PolarHBondContact O-N 3.33Å
943	L	91.9	Very high	87.8	Confident	27 Å²	27	54.1 Å²	54.1	14%	0.141	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-99.3	159.3	177	-64.1	-178.4	0	0	0	111.1	I931 R941 H947 V948 I951 I969	I931-L943 HydrophobicContact CD1-CD1 3.73Å; I931-L943 HydrophobicContact CD1-CG 4.24Å; R941-L943 PolarHBondContact O-N 3.48Å; L943-H947 HydrophobicContact CB-CB 4.35Å; L943-V948 HydrophobicContact CB-CG2 3.69Å; L943-I951 HydrophobicContact CD1-CD1 3.54Å; L943-I969 HydrophobicContact CD1-CD1 4.48Å
944	T	94	Very high	88.3	Confident	51 Å²	51	52.2 Å²	52.2	31%	0.313	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-81.8	157.1	175.9	60.4	0	0	0	0	110.3	N946 H947 V948	T944-N946 WeakPolarHBondContact CB-OD1 3.31Å; T944-N946 PolarHBondContact O-N 3.14Å; T944-N946 VanDerWaalsContact O-N 3.15Å; T944-N946 PolarHBondContact OG1-OD1 2.9Å; T944-H947 PolarHBondContact O-N 2.95Å; T944-H947 PolarHBondContact OG1-CE1 3.27Å; T944-H947 PolarHBondContact OG1-ND1 2.83Å; T944-V948 PolarHBondContact O-N 2.97Å; T944-V948 VanDerWaalsContact O-N 3.07Å
945	I	97.3	Very high	88.8	Confident	6 Å²	6	49 Å²	49	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-47.6	-49	-177.3	-57	163	0	0	0	110.7	V804 A820 Q823 I902 V906 H947 V948 F949	V804-I945 HydrophobicContact CG1-CG2 3.99Å; V804-I945 HydrophobicContact CG2-CG2 4.29Å; A820-I945 HydrophobicContact CB-CD1 4.27Å; Q823-I945 HydrophobicContact CB-CB 4.22Å; Q823-I945 HydrophobicContact CB-CD1 4.48Å; I902-I945 HydrophobicContact CG2-CB 4.49Å; I902-I945 HydrophobicContact CG2-CG2 4.07Å; V906-I945 HydrophobicContact CG2-CD1 4.13Å; I945-H947 PolarHBondContact O-N 2.75Å; I945-V948 PolarHBondContact O-N 3.36Å; I945-F949 WeakPolarHBondContact O-CB 3.21Å; I945-F949 PolarHBondContact O-N 2.86Å
946	N	96.9	Very high	89.5	Confident	24 Å²	24	49 Å²	49	13%	0.128	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-32.8	-178.2	70.3	-73	0	0	0	114.3	Q823 H826 C827 T944 E950	Q823-N946 HydrophobicContact CB-CB 4.23Å; H826-N946 HydrophobicContact CB-CB 3.92Å; C827-N946 VanDerWaalsContact SG-CA 3.57Å; T944-N946 WeakPolarHBondContact CB-OD1 3.31Å; T944-N946 PolarHBondContact O-N 3.14Å; T944-N946 VanDerWaalsContact O-N 3.15Å; T944-N946 PolarHBondContact OG1-OD1 2.9Å; N946-E950 VanDerWaalsContact O-CB 3.29Å; N946-E950 WeakPolarHBondContact O-CB 3.34Å; N946-E950 PolarHBondContact O-N 2.97Å
947	H	95.2	Very high	90.1	Very high	37 Å²	37	47.3 Å²	47.3	17%	0.171	22%	0.219	C	C	.	.	H	α-helix	trans	-73.4	-41.8	177.1	-68.3	130.1	0	0	0	110.7	L943 T944 I945 E950 I951 V968	L943-H947 HydrophobicContact CB-CB 4.35Å; T944-H947 PolarHBondContact O-N 2.95Å; T944-H947 PolarHBondContact OG1-CE1 3.27Å; T944-H947 PolarHBondContact OG1-ND1 2.83Å; I945-H947 PolarHBondContact O-N 2.75Å; H947-E950 PolarHBondContact O-N 3.29Å; H947-I951 WeakPolarHBondContact O-CB 3.5Å; H947-I951 WeakPolarHBondContact O-CD1 3.44Å; H947-I951 WeakPolarHBondContact O-CG1 3.49Å; H947-I951 PolarHBondContact O-N 3.03Å; H947-V968 HydrophobicContact CB-CG1 4.08Å
948	V	97.3	Very high	90.8	Very high	18 Å²	18	48.3 Å²	48.3	11%	0.109	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-48.7	176.6	179.5	0	0	0	0	109.9	L883 I902 L929 L943 T944 I945 E950 I951 L952	L883-V948 HydrophobicContact CD1-CG1 3.93Å; I902-V948 HydrophobicContact CD1-CB 4.08Å; I902-V948 HydrophobicContact CD1-CG1 3.73Å; I902-V948 HydrophobicContact CG1-CB 4.45Å; I902-V948 HydrophobicContact CG1-CG1 3.76Å; I902-V948 HydrophobicContact CG2-CB 4.32Å; I902-V948 HydrophobicContact CG2-CG1 4.28Å; L929-V948 HydrophobicContact CD1-CG1 4.2Å; L943-V948 HydrophobicContact CB-CG2 3.69Å; T944-V948 PolarHBondContact O-N 2.97Å; T944-V948 VanDerWaalsContact O-N 3.07Å; I945-V948 PolarHBondContact O-N 3.36Å; V948-E950 PolarHBondContact O-N 3.21Å; V948-I951 PolarHBondContact O-N 3.2Å; V948-L952 HydrophobicContact CG1-CD1 4.45Å; V948-L952 WeakPolarHBondContact O-CG 3.11Å; V948-L952 PolarHBondContact O-N 2.93Å; V948-L952 VanDerWaalsContact O-N 3.09Å
949	F	98.5	Very high	92.1	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-58.6	-47.8	177.4	-175.8	-86.2	0	0	0	112.2	V802 C827 V830 N831 I838 M840 I902 I945 I951 L952 L953	V802-F949 HydrophobicContact CB-CE2 4.27Å; V802-F949 HydrophobicContact CG1-CD2 3.76Å; V802-F949 HydrophobicContact CG1-CE2 3.97Å; C827-F949 HydrophobicContact CB-CB 4.26Å; C827-F949 HydrophobicContact CB-CD1 3.66Å; C827-F949 HydrophobicContact CB-CD2 4.19Å; C827-F949 HydrophobicContact CB-CE1 4.02Å; C827-F949 HydrophobicContact CB-CG 3.75Å; C827-F949 HydrophobicContact CB-CZ 4.43Å; C827-F949 WeakPolarHBondContact O-CE1 3.28Å; V830-F949 HydrophobicContact CG1-CD1 4.13Å; V830-F949 HydrophobicContact CG1-CE1 4.22Å; N831-F949 HydrophobicContact CB-CE1 3.94Å; N831-F949 HydrophobicContact CB-CZ 4.08Å; I838-F949 HydrophobicContact CG2-CE1 4.22Å; I838-F949 HydrophobicContact CG2-CE2 3.95Å; I838-F949 HydrophobicContact CG2-CZ 3.45Å; I838-F949 VanDerWaalsContact CG2-CZ 3.45Å; M840-F949 HydrophobicContact CB-CE2 4.12Å; M840-F949 HydrophobicContact CB-CZ 4.1Å; M840-F949 HydrophobicContact CE-CE2 4.45Å; M840-F949 HydrophobicContact CG-CE2 3.66Å; M840-F949 HydrophobicContact CG-CZ 3.91Å; M840-F949 HydrophobicContact SD-CE2 3.92Å; M840-F949 HydrophobicContact SD-CZ 3.77Å; I902-F949 HydrophobicContact CD1-CB 3.77Å; I902-F949 HydrophobicContact CD1-CD2 4.23Å; I945-F949 WeakPolarHBondContact O-CB 3.21Å; I945-F949 PolarHBondContact O-N 2.86Å; F949-I951 VanDerWaalsContact C-N 3.34Å; F949-I951 PolarHBondContact O-N 2.79Å; F949-L952 PolarHBondContact O-N 3.33Å; F949-L953 HydrophobicContact CE1-CD2 4.41Å; F949-L953 WeakPolarHBondContact O-CB 3.39Å; F949-L953 PolarHBondContact O-N 2.92Å
950	E	97.5	Very high	93.2	Very high	38 Å²	38	46.2 Å²	46.2	18%	0.178	21%	0.214	C	C	.	.	H	α-helix	trans	-66.1	-36.2	-179.3	-168.4	176.1	178.1	0	0	112.1	V830 N946 H947 V948 L953 R954 V968	V830-E950 HydrophobicContact CG1-CB 4.35Å; V830-E950 HydrophobicContact CG1-CG 4.27Å; V830-E950 HydrophobicContact CG2-CG 3.91Å; N946-E950 VanDerWaalsContact O-CB 3.29Å; N946-E950 WeakPolarHBondContact O-CB 3.34Å; N946-E950 PolarHBondContact O-N 2.97Å; H947-E950 PolarHBondContact O-N 3.29Å; V948-E950 PolarHBondContact O-N 3.21Å; E950-L953 WeakPolarHBondContact O-CB 3.32Å; E950-L953 PolarHBondContact O-N 3.2Å; E950-R954 HydrophobicContact CG-CG 4.38Å; E950-R954 VanDerWaalsContact O-CG 3.31Å; E950-R954 WeakPolarHBondContact O-CG 3.45Å; E950-R954 PolarHBondContact O-N 2.8Å; E950-R954 IonicContact OE1-CZ 3.74Å; E950-R954 IonicContact OE1-NE 3.57Å; E950-R954 PolarHBondContact OE1-NE 3.21Å; E950-R954 IonicContact OE1-NH2 2.94Å; E950-R954 PolarHBondContact OE1-NH2 3.21Å; E950-V968 HydrophobicContact CB-CG1 4.04Å; E950-V968 HydrophobicContact CB-CG2 3.98Å; E950-V968 HydrophobicContact CG-CG1 4.31Å; E950-V968 HydrophobicContact CG-CG2 3.56Å
951	I	97.3	Very high	94.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-48.1	174.9	-73.9	160.4	0	0	0	110.6	L929 L943 H947 V948 F949 L953 R954 Y955 W961 F965 V968 I969	L929-I951 HydrophobicContact CD1-CD1 4.42Å; L929-I951 HydrophobicContact CD1-CG2 4.19Å; L943-I951 HydrophobicContact CD1-CD1 3.54Å; H947-I951 WeakPolarHBondContact O-CB 3.5Å; H947-I951 WeakPolarHBondContact O-CD1 3.44Å; H947-I951 WeakPolarHBondContact O-CG1 3.49Å; H947-I951 PolarHBondContact O-N 3.03Å; V948-I951 PolarHBondContact O-N 3.2Å; F949-I951 VanDerWaalsContact C-N 3.34Å; F949-I951 PolarHBondContact O-N 2.79Å; I951-L953 VanDerWaalsContact C-N 3.31Å; I951-L953 PolarHBondContact O-N 2.9Å; I951-R954 PolarHBondContact O-N 3.01Å; I951-Y955 WeakPolarHBondContact O-CB 3.33Å; I951-Y955 PolarHBondContact O-N 3.06Å; I951-W961 HydrophobicContact CG2-CE3 4.15Å; I951-W961 HydrophobicContact CG2-CZ3 3.85Å; I951-F965 HydrophobicContact CD1-CD1 3.79Å; I951-F965 HydrophobicContact CD1-CE1 4.01Å; I951-F965 HydrophobicContact CG1-CD1 4.09Å; I951-F965 HydrophobicContact CG1-CE1 4.46Å; I951-F965 HydrophobicContact CG2-CD1 3.95Å; I951-F965 HydrophobicContact CG2-CE1 3.68Å; I951-V968 HydrophobicContact CD1-CG1 4.42Å; I951-V968 HydrophobicContact CG1-CB 3.79Å; I951-V968 HydrophobicContact CG1-CG1 3.93Å; I951-V968 HydrophobicContact CG1-CG2 4.01Å; I951-I969 HydrophobicContact CD1-CD1 4.46Å; I951-I969 HydrophobicContact CD1-CG1 4.35Å
952	L	98	Very high	94.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-44.6	177	-65.7	172.3	0	0	0	111	V802 L883 L894 I902 L929 V948 F949 Y955 T956 W961	V802-L952 HydrophobicContact CG1-CD1 3.96Å; V802-L952 HydrophobicContact CG2-CB 4.38Å; V802-L952 HydrophobicContact CG2-CD1 3.88Å; L883-L952 HydrophobicContact CD1-CD1 3.74Å; L883-L952 HydrophobicContact CD1-CD2 4.33Å; L883-L952 HydrophobicContact CD1-CG 4.48Å; L894-L952 HydrophobicContact CD1-CD2 4.31Å; L894-L952 HydrophobicContact CD2-CD2 3.86Å; I902-L952 HydrophobicContact CD1-CD1 4.17Å; I902-L952 HydrophobicContact CG1-CD1 4.45Å; L929-L952 HydrophobicContact CD2-CD2 4.06Å; V948-L952 HydrophobicContact CG1-CD1 4.45Å; V948-L952 WeakPolarHBondContact O-CG 3.11Å; V948-L952 PolarHBondContact O-N 2.93Å; V948-L952 VanDerWaalsContact O-N 3.09Å; F949-L952 PolarHBondContact O-N 3.33Å; L952-Y955 PolarHBondContact O-N 2.99Å; L952-T956 WeakPolarHBondContact O-CG2 3.3Å; L952-T956 PolarHBondContact O-N 3.47Å; L952-W961 HydrophobicContact CD2-CH2 4.15Å
953	L	96.8	Very high	95.1	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-58.5	-49.5	176.3	178.4	64.5	0	0	0	111.7	V830 A834 I838 F949 E950 I951 Y955 T956 E957	V830-L953 HydrophobicContact CG1-CD2 3.99Å; V830-L953 HydrophobicContact CG2-CD2 4.09Å; A834-L953 HydrophobicContact CB-CD1 3.93Å; A834-L953 HydrophobicContact CB-CD2 4.17Å; A834-L953 HydrophobicContact CB-CG 4.37Å; I838-L953 HydrophobicContact CB-CD1 3.95Å; I838-L953 HydrophobicContact CG2-CD1 4.14Å; F949-L953 HydrophobicContact CE1-CD2 4.41Å; F949-L953 WeakPolarHBondContact O-CB 3.39Å; F949-L953 PolarHBondContact O-N 2.92Å; E950-L953 WeakPolarHBondContact O-CB 3.32Å; E950-L953 PolarHBondContact O-N 3.2Å; I951-L953 VanDerWaalsContact C-N 3.31Å; I951-L953 PolarHBondContact O-N 2.9Å; L953-Y955 VanDerWaalsContact C-N 3.26Å; L953-Y955 PolarHBondContact O-N 2.92Å; L953-T956 PolarHBondContact O-N 2.8Å; L953-T956 PolarHBondContact O-OG1 2.9Å; L953-E957 PolarHBondContact O-N 3.48Å
954	R	95.8	Very high	95.2	Very high	54 Å²	54	35.7 Å²	35.7	20%	0.204	18%	0.176	C	C	.	.	H	α-helix	trans	-66.4	-29.4	178.2	-61.2	-35.8	179.1	111.9	10.7	112.8	E950 I951 E957 S958 S964 M967 V968	E950-R954 HydrophobicContact CG-CG 4.38Å; E950-R954 VanDerWaalsContact O-CG 3.31Å; E950-R954 WeakPolarHBondContact O-CG 3.45Å; E950-R954 PolarHBondContact O-N 2.8Å; E950-R954 IonicContact OE1-CZ 3.74Å; E950-R954 IonicContact OE1-NE 3.57Å; E950-R954 PolarHBondContact OE1-NE 3.21Å; E950-R954 IonicContact OE1-NH2 2.94Å; E950-R954 PolarHBondContact OE1-NH2 3.21Å; I951-R954 PolarHBondContact O-N 3.01Å; R954-E957 PolarHBondContact O-N 3.17Å; R954-S958 WeakPolarHBondContact O-CB 3.48Å; R954-S958 PolarHBondContact O-N 2.99Å; R954-S958 PolarHBondContact O-OG 3.47Å; R954-S964 VanDerWaalsContact C-OG 3.31Å; R954-M967 HydrophobicContact CB-SD 4.41Å; R954-M967 HydrophobicContact CG-CB 4.33Å; R954-M967 HydrophobicContact CG-SD 4.19Å; R954-V968 HydrophobicContact CG-CG2 3.97Å
955	Y	96.3	Very high	95.1	Very high	10 Å²	10	33.2 Å²	33.2	4%	0.039	16%	0.162	C	C	.	.	H	α-helix	trans	-67.4	-38.6	175	-175	-86.5	0	0	0	111.1	D892 E893 L894 I951 L952 L953 E957 S958 R959 W961 S964	D892-Y955 PolarHBondContact O-OH 2.86Å; E893-Y955 WeakPolarHBondContact CA-OH 3.42Å; L894-Y955 HydrophobicContact CB-CD1 4.22Å; L894-Y955 HydrophobicContact CB-CE1 4.07Å; L894-Y955 HydrophobicContact CD1-CD1 3.51Å; L894-Y955 HydrophobicContact CD1-CE1 4.2Å; L894-Y955 HydrophobicContact CD1-CG 4.34Å; L894-Y955 HydrophobicContact CG-CD1 3.51Å; L894-Y955 HydrophobicContact CG-CE1 3.71Å; L894-Y955 HydrophobicContact CG-CG 4.47Å; I951-Y955 WeakPolarHBondContact O-CB 3.33Å; I951-Y955 PolarHBondContact O-N 3.06Å; L952-Y955 PolarHBondContact O-N 2.99Å; L953-Y955 VanDerWaalsContact C-N 3.26Å; L953-Y955 PolarHBondContact O-N 2.92Å; Y955-E957 PolarHBondContact O-N 3.29Å; Y955-S958 PolarHBondContact O-N 3.39Å; Y955-R959 VanDerWaalsContact O-CA 3.29Å; Y955-R959 WeakPolarHBondContact O-CA 3.43Å; Y955-R959 PolarHBondContact O-N 3.24Å; Y955-W961 HydrophobicContact CD1-CZ2 4.44Å; Y955-W961 HydrophobicContact CD2-CB 4.48Å; Y955-W961 AromaticContact CD2-CD2 3.38Å; Y955-W961 HydrophobicContact CD2-CD2 3.38Å; Y955-W961 AromaticContact CD2-CE2 3.57Å; Y955-W961 AromaticContact CD2-CE3 3.65Å; Y955-W961 HydrophobicContact CD2-CE3 3.65Å; Y955-W961 AromaticContact CD2-CG 3.79Å; Y955-W961 HydrophobicContact CD2-CG 3.79Å; Y955-W961 HydrophobicContact CD2-CH2 4.2Å; Y955-W961 AromaticContact CD2-CZ2 3.98Å; Y955-W961 HydrophobicContact CD2-CZ2 3.98Å; Y955-W961 HydrophobicContact CD2-CZ3 4.04Å; Y955-W961 HydrophobicContact CE1-CZ2 4.38Å; Y955-W961 HydrophobicContact CE2-CB 4.45Å; Y955-W961 AromaticContact CE2-CD1 3.46Å; Y955-W961 VanDerWaalsContact CE2-CD1 3.46Å; Y955-W961 AromaticContact CE2-CD2 3.49Å; Y955-W961 HydrophobicContact CE2-CD2 3.49Å; Y955-W961 VanDerWaalsContact CE2-CD2 3.49Å; Y955-W961 AromaticContact CE2-CE2 3.31Å; Y955-W961 HydrophobicContact CE2-CE3 4.23Å; Y955-W961 AromaticContact CE2-CG 3.58Å; Y955-W961 HydrophobicContact CE2-CG 3.58Å; Y955-W961 AromaticContact CE2-CZ2 3.93Å; Y955-W961 HydrophobicContact CE2-CZ2 3.93Å; Y955-W961 AromaticContact CE2-NE1 3.28Å; Y955-W961 VanDerWaalsContact CE2-NE1 3.28Å; Y955-W961 HydrophobicContact CG-CD2 4.28Å; Y955-W961 HydrophobicContact CG-CE3 4.23Å; Y955-W961 HydrophobicContact CG-CH2 4.17Å; Y955-W961 HydrophobicContact CG-CZ2 4.23Å; Y955-W961 HydrophobicContact CG-CZ3 4.16Å; Y955-W961 AromaticContact CZ-CE2 3.83Å; Y955-W961 AromaticContact CZ-NE1 3.71Å; Y955-S964 WeakPolarHBondContact CA-OG 3.48Å; Y955-S964 PolarHBondContact N-OG 3.17Å
956	T	94.8	Very high	94.7	Very high	21 Å²	21	36.1 Å²	36.1	13%	0.129	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-27.7	173.6	65.7	0	0	0	0	113.1	Q800 I838 L894 L952 L953	Q800-T956 HydrophobicContact CB-CG2 3.95Å; Q800-T956 HydrophobicContact CG-CG2 4.1Å; I838-T956 HydrophobicContact CD1-CG2 3.78Å; L894-T956 HydrophobicContact CD1-CG2 3.92Å; L952-T956 WeakPolarHBondContact O-CG2 3.3Å; L952-T956 PolarHBondContact O-N 3.47Å; L953-T956 PolarHBondContact O-N 2.8Å; L953-T956 PolarHBondContact O-OG1 2.9Å
957	E	91.6	Very high	94.4	Very high	83 Å²	83	39.8 Å²	39.8	39%	0.388	20%	0.195	S	C	.	.	H	α-helix	trans	-85.6	-38.2	178	-64.2	-179.4	146.5	0	0	113.1	L953 R954 Y955	L953-E957 PolarHBondContact O-N 3.48Å; R954-E957 PolarHBondContact O-N 3.17Å; Y955-E957 PolarHBondContact O-N 3.29Å
958	S	92.1	Very high	94.3	Very high	45 Å²	45	38.5 Å²	38.5	32%	0.315	19%	0.19	S	C	.	.	H	α-helix	trans	-104.8	-18.8	-170.6	61.8	0	0	0	0	114.8	R954 Y955 S960 S964	R954-S958 WeakPolarHBondContact O-CB 3.48Å; R954-S958 PolarHBondContact O-N 2.99Å; R954-S958 PolarHBondContact O-OG 3.47Å; Y955-S958 PolarHBondContact O-N 3.39Å; S958-S960 PolarHBondContact O-N 3.36Å; S958-S960 PolarHBondContact OG-N 2.91Å; S958-S960 PolarHBondContact OG-O 3.32Å; S958-S964 PolarHBondContact OG-OG 2.87Å
959	R	93	Very high	93.8	Very high	128 Å²	128	37.8 Å²	37.8	48%	0.483	19%	0.185	S	C	.	.	S	Bend	trans	48.3	29.4	-168.9	-58.9	-68	-177.4	168.3	0.5	113	E896 Y955	E896-R959 IonicContact OE1-CZ 3.11Å; E896-R959 IonicContact OE1-NH2 3.22Å; E896-R959 PolarHBondContact OE1-NH2 3.04Å; Y955-R959 VanDerWaalsContact O-CA 3.29Å; Y955-R959 WeakPolarHBondContact O-CA 3.43Å; Y955-R959 PolarHBondContact O-N 3.24Å
960	S	94.3	Very high	92.9	Very high	36 Å²	36	40 Å²	40	25%	0.252	20%	0.199	S	C	.	.			trans	-135.1	116.9	-178.9	166.2	0	0	0	0	110.5	S958 T963 S964	S958-S960 PolarHBondContact O-N 3.36Å; S958-S960 PolarHBondContact OG-N 2.91Å; S958-S960 PolarHBondContact OG-O 3.32Å; S960-T963 WeakPolarHBondContact CB-OG1 3.27Å; S960-T963 PolarHBondContact O-N 3.27Å; S960-T963 WeakPolarHBondContact OG-CB 3.5Å; S960-T963 PolarHBondContact OG-N 3.16Å; S960-T963 VanDerWaalsContact OG-N 3.12Å; S960-T963 PolarHBondContact OG-OG1 2.74Å; S960-S964 WeakPolarHBondContact O-CB 3.27Å; S960-S964 PolarHBondContact O-N 3.49Å; S960-S964 PolarHBondContact O-OG 3.01Å
961	W	94.5	Very high	91.8	Very high	11 Å²	11	45.2 Å²	45.2	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-45.8	176.5	-74.8	118.1	0	0	0	111.6	L891 D892 L894 L929 P930 H934 I951 L952 Y955 T963 S964 F965	L891-W961 HydrophobicContact CD2-CH2 4.08Å; L891-W961 HydrophobicContact CD2-CZ2 4.19Å; L891-W961 HydrophobicContact CG-CH2 4.43Å; L891-W961 HydrophobicContact CG-CZ2 4.05Å; L891-W961 WeakPolarHBondContact O-CZ2 3.11Å; L891-W961 PolarHBondContact O-NE1 2.89Å; D892-W961 PolarHBondContact O-NE1 3.17Å; L894-W961 HydrophobicContact CD2-CH2 4.11Å; L894-W961 HydrophobicContact CD2-CZ2 4.31Å; L929-W961 HydrophobicContact CD2-CH2 3.84Å; L929-W961 HydrophobicContact CD2-CZ3 3.81Å; P930-W961 HydrophobicContact CG-CB 4.17Å; P930-W961 HydrophobicContact CG-CD2 3.5Å; P930-W961 VanDerWaalsContact CG-CD2 3.5Å; P930-W961 HydrophobicContact CG-CE3 4.17Å; P930-W961 HydrophobicContact CG-CG 3.48Å; P930-W961 VanDerWaalsContact CG-CG 3.48Å; P930-W961 HydrophobicContact CG-CZ2 4.33Å; H934-W961 AromaticContact CE1-CD1 3.94Å; I951-W961 HydrophobicContact CG2-CE3 4.15Å; I951-W961 HydrophobicContact CG2-CZ3 3.85Å; L952-W961 HydrophobicContact CD2-CH2 4.15Å; Y955-W961 HydrophobicContact CD1-CZ2 4.44Å; Y955-W961 HydrophobicContact CD2-CB 4.48Å; Y955-W961 AromaticContact CD2-CD2 3.38Å; Y955-W961 HydrophobicContact CD2-CD2 3.38Å; Y955-W961 AromaticContact CD2-CE2 3.57Å; Y955-W961 AromaticContact CD2-CE3 3.65Å; Y955-W961 HydrophobicContact CD2-CE3 3.65Å; Y955-W961 AromaticContact CD2-CG 3.79Å; Y955-W961 HydrophobicContact CD2-CG 3.79Å; Y955-W961 HydrophobicContact CD2-CH2 4.2Å; Y955-W961 AromaticContact CD2-CZ2 3.98Å; Y955-W961 HydrophobicContact CD2-CZ2 3.98Å; Y955-W961 HydrophobicContact CD2-CZ3 4.04Å; Y955-W961 HydrophobicContact CE1-CZ2 4.38Å; Y955-W961 HydrophobicContact CE2-CB 4.45Å; Y955-W961 AromaticContact CE2-CD1 3.46Å; Y955-W961 VanDerWaalsContact CE2-CD1 3.46Å; Y955-W961 AromaticContact CE2-CD2 3.49Å; Y955-W961 HydrophobicContact CE2-CD2 3.49Å; Y955-W961 VanDerWaalsContact CE2-CD2 3.49Å; Y955-W961 AromaticContact CE2-CE2 3.31Å; Y955-W961 HydrophobicContact CE2-CE3 4.23Å; Y955-W961 AromaticContact CE2-CG 3.58Å; Y955-W961 HydrophobicContact CE2-CG 3.58Å; Y955-W961 AromaticContact CE2-CZ2 3.93Å; Y955-W961 HydrophobicContact CE2-CZ2 3.93Å; Y955-W961 AromaticContact CE2-NE1 3.28Å; Y955-W961 VanDerWaalsContact CE2-NE1 3.28Å; Y955-W961 HydrophobicContact CG-CD2 4.28Å; Y955-W961 HydrophobicContact CG-CE3 4.23Å; Y955-W961 HydrophobicContact CG-CH2 4.17Å; Y955-W961 HydrophobicContact CG-CZ2 4.23Å; Y955-W961 HydrophobicContact CG-CZ3 4.16Å; Y955-W961 AromaticContact CZ-CE2 3.83Å; Y955-W961 AromaticContact CZ-NE1 3.71Å; W961-T963 PolarHBondContact O-N 3Å; W961-S964 WeakPolarHBondContact O-CB 3.23Å; W961-S964 PolarHBondContact O-N 2.92Å; W961-F965 HydrophobicContact CB-CD2 4.3Å; W961-F965 HydrophobicContact CB-CE2 3.79Å; W961-F965 HydrophobicContact CB-CZ 4.41Å; W961-F965 HydrophobicContact CE3-CE1 4.36Å; W961-F965 HydrophobicContact CE3-CE2 4.43Å; W961-F965 AromaticContact CE3-CZ 3.91Å; W961-F965 HydrophobicContact CE3-CZ 3.91Å; W961-F965 WeakPolarHBondContact O-CD2 3.27Å; W961-F965 VanDerWaalsContact O-CG 3.27Å; W961-F965 WeakPolarHBondContact O-CG 3.37Å; W961-F965 PolarHBondContact O-N 3.33Å
962	K	91.7	Very high	90.7	Very high	122 Å²	122	54.9 Å²	54.9	53%	0.53	26%	0.262	S	S	.	.	H	α-helix	trans	-56.2	-48.5	178	-173.6	173.8	-179.3	177.5	0	111.8	H934 S964 F965 D966	H934-K962 HydrophobicContact CB-CB 4.36Å; K962-S964 PolarHBondContact O-N 3.11Å; K962-F965 PolarHBondContact O-N 3.35Å; K962-D966 WeakPolarHBondContact O-CB 3.32Å; K962-D966 PolarHBondContact O-N 3.07Å
963	T	91.6	Very high	89.4	Confident	62 Å²	62	57 Å²	57	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-44.1	178.1	-56.4	0	0	0	0	111.1	S960 W961 F965 D966 M967	S960-T963 WeakPolarHBondContact CB-OG1 3.27Å; S960-T963 PolarHBondContact O-N 3.27Å; S960-T963 WeakPolarHBondContact OG-CB 3.5Å; S960-T963 PolarHBondContact OG-N 3.16Å; S960-T963 VanDerWaalsContact OG-N 3.12Å; S960-T963 PolarHBondContact OG-OG1 2.74Å; W961-T963 PolarHBondContact O-N 3Å; T963-F965 PolarHBondContact O-N 2.89Å; T963-D966 PolarHBondContact O-N 3.42Å; T963-M967 HydrophobicContact CG2-CG 4.49Å; T963-M967 HydrophobicContact CG2-SD 4.21Å; T963-M967 VanDerWaalsContact O-CG 3.26Å; T963-M967 WeakPolarHBondContact O-CG 3.48Å; T963-M967 PolarHBondContact O-N 3.37Å
964	S	94	Very high	88.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.4	-45.9	177.7	-56.6	0	0	0	0	112.2	R954 Y955 S958 S960 W961 K962 M967 V968	R954-S964 VanDerWaalsContact C-OG 3.31Å; Y955-S964 WeakPolarHBondContact CA-OG 3.48Å; Y955-S964 PolarHBondContact N-OG 3.17Å; S958-S964 PolarHBondContact OG-OG 2.87Å; S960-S964 WeakPolarHBondContact O-CB 3.27Å; S960-S964 PolarHBondContact O-N 3.49Å; S960-S964 PolarHBondContact O-OG 3.01Å; W961-S964 WeakPolarHBondContact O-CB 3.23Å; W961-S964 PolarHBondContact O-N 2.92Å; K962-S964 PolarHBondContact O-N 3.11Å; S964-M967 PolarHBondContact O-N 3.17Å; S964-V968 WeakPolarHBondContact O-CG2 3.4Å; S964-V968 PolarHBondContact O-N 3.34Å
965	F	93	Very high	86.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-40.6	175.4	-61.6	-44.7	0	0	0	111.9	L929 P930 I931 H934 M935 I951 W961 K962 T963 M967 V968 I969	L929-F965 HydrophobicContact CB-CZ 4.4Å; L929-F965 HydrophobicContact CD1-CE1 4.5Å; P930-F965 HydrophobicContact CG-CZ 4.38Å; P930-F965 WeakPolarHBondContact O-CE2 3.44Å; I931-F965 HydrophobicContact CB-CZ 4.35Å; I931-F965 HydrophobicContact CG1-CD1 4.47Å; I931-F965 HydrophobicContact CG1-CE1 3.68Å; I931-F965 HydrophobicContact CG1-CE2 4.44Å; I931-F965 HydrophobicContact CG1-CZ 3.68Å; H934-F965 HydrophobicContact CB-CD2 3.86Å; H934-F965 HydrophobicContact CB-CE2 3.91Å; M935-F965 HydrophobicContact CE-CB 3.67Å; M935-F965 HydrophobicContact SD-CB 4.17Å; I951-F965 HydrophobicContact CD1-CD1 3.79Å; I951-F965 HydrophobicContact CD1-CE1 4.01Å; I951-F965 HydrophobicContact CG1-CD1 4.09Å; I951-F965 HydrophobicContact CG1-CE1 4.46Å; I951-F965 HydrophobicContact CG2-CD1 3.95Å; I951-F965 HydrophobicContact CG2-CE1 3.68Å; W961-F965 HydrophobicContact CB-CD2 4.3Å; W961-F965 HydrophobicContact CB-CE2 3.79Å; W961-F965 HydrophobicContact CB-CZ 4.41Å; W961-F965 HydrophobicContact CE3-CE1 4.36Å; W961-F965 HydrophobicContact CE3-CE2 4.43Å; W961-F965 AromaticContact CE3-CZ 3.91Å; W961-F965 HydrophobicContact CE3-CZ 3.91Å; W961-F965 WeakPolarHBondContact O-CD2 3.27Å; W961-F965 VanDerWaalsContact O-CG 3.27Å; W961-F965 WeakPolarHBondContact O-CG 3.37Å; W961-F965 PolarHBondContact O-N 3.33Å; K962-F965 PolarHBondContact O-N 3.35Å; T963-F965 PolarHBondContact O-N 2.89Å; F965-M967 VanDerWaalsContact C-N 3.29Å; F965-M967 PolarHBondContact O-N 3.19Å; F965-V968 PolarHBondContact O-N 3.2Å; F965-I969 HydrophobicContact CB-CD1 4.13Å; F965-I969 HydrophobicContact CD1-CD1 4Å; F965-I969 HydrophobicContact CG-CD1 4.36Å; F965-I969 WeakPolarHBondContact O-CB 3.47Å; F965-I969 PolarHBondContact O-N 3.44Å
966	D	89.4	Confident	84.7	Confident	67 Å²	67	65.5 Å²	65.5	36%	0.358	32%	0.321	S	S	.	.	H	α-helix	trans	-67.5	-25.7	177.7	-78.7	-31.4	0	0	0	113.4	M935 K962 T963 R974	M935-D966 WeakPolarHBondContact CE-OD1 3.36Å; K962-D966 WeakPolarHBondContact O-CB 3.32Å; K962-D966 PolarHBondContact O-N 3.07Å; T963-D966 PolarHBondContact O-N 3.42Å; D966-R974 VanDerWaalsContact C-NH2 3.32Å; D966-R974 PolarHBondContact O-NH2 2.94Å; D966-R974 IonicContact OD1-CZ 3.53Å; D966-R974 IonicContact OD1-NE 2.82Å; D966-R974 IonicContact OD1-NH1 2.98Å; D966-R974 PolarHBondContact OD1-NH1 3.19Å
967	M	90.3	Very high	82.3	Confident	100 Å²	100	69.3 Å²	69.3	49%	0.493	35%	0.349	S	S	.	.	H	α-helix	trans	-79.9	-34.6	174.8	-69.7	-178.7	95.8	0	0	112.6	R954 T963 S964 F965	R954-M967 HydrophobicContact CB-SD 4.41Å; R954-M967 HydrophobicContact CG-CB 4.33Å; R954-M967 HydrophobicContact CG-SD 4.19Å; T963-M967 HydrophobicContact CG2-CG 4.49Å; T963-M967 HydrophobicContact CG2-SD 4.21Å; T963-M967 VanDerWaalsContact O-CG 3.26Å; T963-M967 WeakPolarHBondContact O-CG 3.48Å; T963-M967 PolarHBondContact O-N 3.37Å; S964-M967 PolarHBondContact O-N 3.17Å; F965-M967 VanDerWaalsContact C-N 3.29Å; F965-M967 PolarHBondContact O-N 3.19Å
968	V	92.2	Very high	79.5	Confident	11 Å²	11	74.8 Å²	74.8	7%	0.067	37%	0.374	C	S	.	.	H	α-helix	trans	-102.9	-41.8	-167.5	-178.2	0	0	0	0	113	H947 E950 I951 R954 S964 F965 P970	H947-V968 HydrophobicContact CB-CG1 4.08Å; E950-V968 HydrophobicContact CB-CG1 4.04Å; E950-V968 HydrophobicContact CB-CG2 3.98Å; E950-V968 HydrophobicContact CG-CG1 4.31Å; E950-V968 HydrophobicContact CG-CG2 3.56Å; I951-V968 HydrophobicContact CD1-CG1 4.42Å; I951-V968 HydrophobicContact CG1-CB 3.79Å; I951-V968 HydrophobicContact CG1-CG1 3.93Å; I951-V968 HydrophobicContact CG1-CG2 4.01Å; R954-V968 HydrophobicContact CG-CG2 3.97Å; S964-V968 WeakPolarHBondContact O-CG2 3.4Å; S964-V968 PolarHBondContact O-N 3.34Å; F965-V968 PolarHBondContact O-N 3.2Å; V968-P970 VanDerWaalsContact O-CD 3.29Å; V968-P970 WeakPolarHBondContact O-CD 3.19Å
969	I	87.1	Confident	76.7	Confident	3 Å²	3	77.8 Å²	77.8	2%	0.015	39%	0.391	C	S	.	.	S	Bend	trans	-81.1	116.9	-174.8	-59.5	-176.8	0	0	0	109.2	M935 L937 L943 I951 F965 K973 R974	M935-I969 HydrophobicContact SD-CB 4.2Å; M935-I969 HydrophobicContact SD-CD1 3.98Å; M935-I969 HydrophobicContact SD-CG2 4.19Å; L937-I969 HydrophobicContact CD2-CD1 4.13Å; L937-I969 HydrophobicContact CD2-CG2 3.79Å; L943-I969 HydrophobicContact CD1-CD1 4.48Å; I951-I969 HydrophobicContact CD1-CD1 4.46Å; I951-I969 HydrophobicContact CD1-CG1 4.35Å; F965-I969 HydrophobicContact CB-CD1 4.13Å; F965-I969 HydrophobicContact CD1-CD1 4Å; F965-I969 HydrophobicContact CG-CD1 4.36Å; F965-I969 WeakPolarHBondContact O-CB 3.47Å; F965-I969 PolarHBondContact O-N 3.44Å; I969-K973 HydrophobicContact CG2-CB 3.91Å; I969-K973 HydrophobicContact CG2-CD 4.37Å; I969-R974 VanDerWaalsContact O-CZ 3.29Å; I969-R974 PolarHBondContact O-NE 2.8Å; I969-R974 PolarHBondContact O-NH2 3.35Å
970	P	78.9	Confident	73.6	Confident	46 Å²	46	77.5 Å²	77.5	30%	0.299	41%	0.408	S	S	.	.			trans	-61.9	144.4	-176.7	-23.9	34.6	0	0	0	113.2	V968 R972 K973	V968-P970 VanDerWaalsContact O-CD 3.29Å; V968-P970 WeakPolarHBondContact O-CD 3.19Å; P970-R972 HydrophobicContact CB-CG 4.22Å; P970-R972 PolarHBondContact O-N 3.15Å; P970-K973 PolarHBondContact O-N 2.73Å
971	M	74.6	Confident	70.6	Confident	148 Å²	148	81.6 Å²	81.6	73%	0.729	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-44.2	-40.9	178	-75.9	-103.6	-149.3	0	0	113.9	K973 R974	M971-K973 PolarHBondContact O-N 3.17Å; M971-K973 VanDerWaalsContact O-N 3.08Å; M971-R974 WeakPolarHBondContact O-CB 3.38Å; M971-R974 PolarHBondContact O-N 3.05Å
972	R	73.8	Confident	67.3	Low	203 Å²	203	83.4 Å²	83.4	77%	0.766	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-58.8	-23	179.7	71.3	-178.2	179.4	-150	-1.9	114.8	P970	P970-R972 HydrophobicContact CB-CG 4.22Å; P970-R972 PolarHBondContact O-N 3.15Å
973	K	72.1	Confident	64.5	Low	45 Å²	45	84.1 Å²	84.1	20%	0.196	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-90.6	-11.8	178.4	-70.6	-169.1	174.2	-171.8	0	112.8	L937 K938 I969 P970 M971	L937-K973 CarbonylContact C-O 3.49Å; L937-K973 WeakPolarHBondContact CA-O 3.44Å; K938-K973 PolarHBondContact N-O 2.93Å; I969-K973 HydrophobicContact CG2-CB 3.91Å; I969-K973 HydrophobicContact CG2-CD 4.37Å; P970-K973 PolarHBondContact O-N 2.73Å; M971-K973 PolarHBondContact O-N 3.17Å; M971-K973 VanDerWaalsContact O-N 3.08Å
974	R	74.3	Confident	61.5	Low	46 Å²	46	87.2 Å²	87.2	17%	0.174	49%	0.49	C	S	.	.	B	Isolated β-bridge	trans	-87.1	144.8	-177.9	-52.6	-173.5	-164.9	168.4	13.7	110.4	M935 K938 D966 I969 M971	M935-R974 HydrophobicContact CE-CG 4.34Å; M935-R974 HydrophobicContact SD-CG 3.86Å; K938-R974 VanDerWaalsContact CD-O 3.3Å; K938-R974 WeakPolarHBondContact CD-O 3.3Å; K938-R974 WeakPolarHBondContact CE-O 3.01Å; K938-R974 WeakPolarHBondContact CG-O 3.4Å; D966-R974 VanDerWaalsContact C-NH2 3.32Å; D966-R974 PolarHBondContact O-NH2 2.94Å; D966-R974 IonicContact OD1-CZ 3.53Å; D966-R974 IonicContact OD1-NE 2.82Å; D966-R974 IonicContact OD1-NH1 2.98Å; D966-R974 PolarHBondContact OD1-NH1 3.19Å; I969-R974 VanDerWaalsContact O-CZ 3.29Å; I969-R974 PolarHBondContact O-NE 2.8Å; I969-R974 PolarHBondContact O-NH2 3.35Å; M971-R974 WeakPolarHBondContact O-CB 3.38Å; M971-R974 PolarHBondContact O-N 3.05Å
975	C	62	Low	58.4	Low	61 Å²	61	95.8 Å²	95.8	41%	0.412	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-78.5	124.9	164.3	-154.2	0	0	0	0	108.1	N936 K938 S977	N936-C975 HydrophobicContact CB-CB 4.14Å; N936-C975 PolarHBondContact O-N 2.96Å; K938-C975 HydrophobicContact CG-CB 4.27Å; C975-S977 PolarHBondContact O-N 3.44Å
976	L	54.3	Low	55.4	Low	138 Å²	138	101.6 Å²	101.6	72%	0.723	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-74.5	116.1	168.4	-70.1	167.9	0	0	0	105.7	E978	L976-E978 PolarHBondContact O-N 2.98Å
977	S	44	Very low	52.7	Low	100 Å²	100	108.2 Å²	108.2	70%	0.699	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-59.8	131.1	165.1	50.5	0	0	0	0	108	C975 T979	C975-S977 PolarHBondContact O-N 3.44Å; S977-T979 VanDerWaalsContact C-N 3.33Å; S977-T979 PolarHBondContact O-N 3.41Å
978	E	32.6	Very low	49.9	Very low	199 Å²	199	111.4 Å²	111.4	93%	0.93	61%	0.611	S	S	*	*			trans	-55	93.6	174.2	-68	176.2	168.6	0	0	109.8	L976 S980	L976-E978 PolarHBondContact O-N 2.98Å; E978-S980 PolarHBondContact O-N 3.5Å
979	T	32.7	Very low	47.1	Very low	107 Å²	107	118.9 Å²	118.9	66%	0.656	65%	0.65	S	S	*	*			trans	-72	108.1	158.3	42.2	0	0	0	0	106.1	S977 V981	S977-T979 VanDerWaalsContact C-N 3.33Å; S977-T979 PolarHBondContact O-N 3.41Å; T979-V981 VanDerWaalsContact O-CG2 3.24Å; T979-V981 WeakPolarHBondContact O-CG2 3.47Å; T979-V981 PolarHBondContact O-N 3.08Å
980	S	28.5	Very low	44.4	Very low	122 Å²	122	125.2 Å²	125.2	85%	0.853	69%	0.689	S	S	*	*			trans	-10	88.8	157.5	55	0	0	0	0	113.8	E978	E978-S980 PolarHBondContact O-N 3.5Å
981	V	29.9	Very low	42.1	Very low	122 Å²	122	128.6 Å²	128.6	74%	0.739	71%	0.711	S	S	*	*			trans	-95.8	109.1	167.8	-173.1	0	0	0	0	105.9	T979	T979-V981 VanDerWaalsContact O-CG2 3.24Å; T979-V981 WeakPolarHBondContact O-CG2 3.47Å; T979-V981 PolarHBondContact O-N 3.08Å
982	G	26.7	Very low	40	Very low	49 Å²	49	132.1 Å²	132.1	51%	0.505	74%	0.74	S	S	.	*			trans	-55.6	165.4	171.7	0	0	0	0	0	112.4	T984	G982-T984 PolarHBondContact O-N 3.46Å; G982-T984 PolarHBondContact O-OG1 2.73Å
983	P	32.5	Very low	38.3	Very low	137 Å²	137	128.6 Å²	128.6	89%	0.89	74%	0.739	S	S	*	*			trans	-65.4	115.1	-167.2	28.7	-32.4	0	0	0	108.9
984	T	28	Very low	36.6	Very low	127 Å²	127	133 Å²	133	78%	0.779	77%	0.768	S	S	*	*			trans	-121.9	123	167.5	17.7	0	0	0	0	109.1	G982	G982-T984 PolarHBondContact O-N 3.46Å; G982-T984 PolarHBondContact O-OG1 2.73Å
985	E	29	Very low	34.5	Very low	181 Å²	181	137.8 Å²	137.8	85%	0.846	80%	0.801	S	S	*	*			trans	-57.4	155.4	-165	-71.7	172.1	146	0	0	115.4	K987	E985-K987 PolarHBondContact O-N 3.17Å
986	P	30.1	Very low	32.8	Very low	122 Å²	122	142.4 Å²	142.4	79%	0.792	82%	0.824	S	S	*	*			trans	-73.5	115.3	-173.9	30.9	-34.7	0	0	0	111	L988	P986-L988 PolarHBondContact O-N 2.97Å
987	K	32.6	Very low	31.5	Very low	206 Å²	206	142.6 Å²	142.6	90%	0.896	83%	0.83	S	S	*	*			trans	-71.7	110	168	-78.6	-174.2	176.4	-179.3	0	109.9	E985 L989	E985-K987 PolarHBondContact O-N 3.17Å; K987-L989 PolarHBondContact O-N 3.4Å
988	L	32.5	Very low	30.7	Very low	166 Å²	166	145.5 Å²	145.5	87%	0.869	84%	0.839	S	S	*	*			trans	-44.5	127.8	169	-81.7	132.9	0	0	0	112.2	P986 T990	P986-L988 PolarHBondContact O-N 2.97Å; L988-T990 PolarHBondContact O-N 2.78Å
989	L	32.3	Very low	30.5	Very low	169 Å²	169	141.6 Å²	141.6	89%	0.885	83%	0.832	S	S	*	*			trans	-70.5	112.8	165.7	-73.7	157.2	0	0	0	108.4	K987	K987-L989 PolarHBondContact O-N 3.4Å
990	T	31	Very low	30.4	Very low	136 Å²	136	144.3 Å²	144.3	83%	0.834	85%	0.846	S	S	*	*			trans	-75.3	122.3	163.5	42.4	0	0	0	0	109	L988	L988-T990 PolarHBondContact O-N 2.78Å
991	P	30	Very low	30.5	Very low	117 Å²	117	146.2 Å²	146.2	76%	0.76	85%	0.845	S	S	*	*			trans	-82.6	142	179.6	33	-31.1	0	0	0	111.3
992	V	31.8	Very low	30.6	Very low	222 Å²	222	148.4 Å²	148.4	100%	1.345	86%	0.855	S	S	*	*			trans	23.8	0	168.4	-171	0	0	0	0	117.7

Retrieved 992 of 992 residues in 1404.8 ms (Link to these results)

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