A0A5K4EPN1_SCHMA Loading...

Putative leucine-rich repeat-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EPN1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,313 aa.

						>A0A5K4EPN1_SCHMA|A0A5K4EPN1
MNNFGITITKLNLSNNNLNYLPSEICDMINLQYLDISHNNLRGSTEVPGMNSIDGIPMKNTNESIHRSNKSVDLLNNNNHDHANGKLDHVQLPKDMNRLINLKTLKMSSCDLKFIPKIVFQIISLTKLDISENWTNEIPTAIGNLLELRCLLAKRMGLSTLPIQIINCSKLRTINLYGNEITSLPDEFSRLYKLKALHLDYRHFIKALIKPRKVSKVKMVNFIDSTDEAGDNNITIEVNKPRKSIVAEETAISIAERLDTLLRSGQMKSYHIPAAIFKLRRLTALHLDRCQLNFIPENLTLLKRLRELYLSKNYFRGIPQGLFTLHNTLEYLDLSDNKLDGEEDKSVLLPKDFGAKFQMLKVLKLSSMNLTCLQNGVLCGMIGLELLDLSRNKISQLPDDINSLISLEEFFLSENKLTSLPNTICQLKELRTLDVSYNQLSELPEDLYLLKNIQTSHLYKGLNKSGLWLQGNPLTSIPQSVWKTIDTKHLWKYLEVSEQKALPAQYYLVIFKVIGFLNVQKQIRFELEDKLSNTKPTKIFIIGDKFSGKSTLIKHLMKEGSINTSTQISLPSQLEHFSIDYKSMIQNIPNNVELPLEWSPILINHCSSPNGFKMIFYEITLPQLCDLDHSHSSLCNQHSGLELILPHLLDSNSFYILLFNTNLFIENFQQTVNSICFHLLKLRIYAPGSIIKLLGTHCDQIDPYKSFLQDSINANEIIDEQNHLLETNKSENPLITIQNNESDNNIRSTKSGVFNVLQKHIINTIERLSKCTESFNLPNLYKHEANNKITVLQNISFVNLSLPLSKHPITSSPKNKVHVANQPYLIDIINVDELWSEIEHRINYTCQTSNKDCFIPKSWHSLVVYVRDKLKPYFMVKLDLGSGQNNEDCSSSKIGNNQLTLDKTFFDEMKIDNIEDCLNYYHSIGQFLYFPKHKYLKDYLILHPTVFLTIINGIINPQIITSAYYDMSNSNKSLYLRWYLSAISGYSNESLKEYFSSWDHHKSIPYQLIRCLLPPFGYRSCKSIPSNKPHQQIIQQRRLLPSKQNHHLDVPSHHQVSRFTMRSSAKSKSPINCSKQVETEKDYFNLSVSSVSEPKLSINSVLLLTDLLEAGFKIHNLILVNDHLKNVQLNNPKPYIIYPCIFSDNNSIEFLYSNTTNCIDLTTQYKIKENEYIREIWFPLGRPMGYFNRLSVSLCKVICDQTKFIEFCGSIPDLKYTEKIVFNDSMVKHNTFIVTYDHIKIILEEVTVNGSLFSLSECDILYGIKCIQQTKQKSMPTDNVQTNDIAFNPFQWFIETCNKLNDEAQGIVWFWSK
					

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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	41	Very low	65.3	Low	172 Å²	172	108.5 Å²	108.5	85%	0.847	58%	0.581	S	S	*	*				0	-36.9	0	-79.8	-179.9	171.6	0	0	113.7	N3 F4 I8	M1-N3 PolarHBondContact O-N 2.87Å; M1-F4 PolarHBondContact O-N 2.63Å; M1-I8 HydrophobicContact SD-CD1 3.8Å
2	N	42.3	Very low	67.5	Low	106 Å²	106	107.4 Å²	107.4	57%	0.567	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-52.8	-26.8	-179.2	-67.6	-5.1	0	0	0	115.1	F4 D27	N2-F4 PolarHBondContact O-N 2.85Å; N2-D27 PolarHBondContact ND2-O 2.99Å
3	N	43.1	Very low	69.3	Low	160 Å²	160	102 Å²	102	86%	0.856	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-68.6	-10.3	177.1	-65	11.4	0	0	0	115.4	M1	M1-N3 PolarHBondContact O-N 2.87Å
4	F	46.9	Very low	70.6	Confident	173 Å²	173	96.5 Å²	96.5	76%	0.759	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-104.7	7.2	-178.2	-70.9	-77.8	0	0	0	114	M1 N2 I6	M1-F4 PolarHBondContact O-N 2.63Å; N2-F4 PolarHBondContact O-N 2.85Å; F4-I6 HydrophobicContact CB-CD1 4.48Å; F4-I6 HydrophobicContact CB-CG1 4.44Å; F4-I6 PolarHBondContact O-N 2.86Å
5	G	54.6	Low	71.7	Confident	64 Å²	64	97.7 Å²	97.7	66%	0.66	53%	0.525	S	S	*	.			trans	71.2	-4.5	179.2	0	0	0	0	0	116	T7	G5-T7 PolarHBondContact O-N 2.65Å
6	I	58.3	Low	72.6	Confident	118 Å²	118	96.1 Å²	96.1	61%	0.605	52%	0.516	S	S	*	.			trans	-75.1	112.5	-179.2	-56.8	175	0	0	0	110.4	F4 I8	F4-I6 HydrophobicContact CB-CD1 4.48Å; F4-I6 HydrophobicContact CB-CG1 4.44Å; F4-I6 PolarHBondContact O-N 2.86Å; I6-I8 HydrophobicContact CG2-CG1 4.31Å; I6-I8 PolarHBondContact O-N 3.34Å
7	T	76.9	Confident	73	Confident	95 Å²	95	95.6 Å²	95.6	58%	0.583	51%	0.514	S	S	*	.			trans	-91.9	94.9	179.2	50.1	0	0	0	0	112.1	G5 T9	G5-T7 PolarHBondContact O-N 2.65Å; T7-T9 PolarHBondContact O-N 3.05Å
8	I	81.9	Confident	73.5	Confident	50 Å²	50	93 Å²	93	26%	0.256	50%	0.499	S	S	.	.			trans	-74.7	113.2	177.5	-59.5	170.9	0	0	0	110	M1 I6 K10 M28 L31	M1-I8 HydrophobicContact SD-CD1 3.8Å; I6-I8 HydrophobicContact CG2-CG1 4.31Å; I6-I8 PolarHBondContact O-N 3.34Å; I8-K10 WeakPolarHBondContact CG2-O 3.07Å; I8-M28 HydrophobicContact CB-CE 3.54Å; I8-M28 HydrophobicContact CD1-CE 3.72Å; I8-M28 HydrophobicContact CG1-CE 4.2Å; I8-M28 HydrophobicContact CG2-CE 3.47Å; I8-M28 VanDerWaalsContact CG2-CE 3.47Å; I8-L31 HydrophobicContact CG2-CD1 4.23Å
9	T	90	Very high	73.8	Confident	61 Å²	61	90.9 Å²	90.9	37%	0.374	49%	0.488	S	S	.	.			trans	-103	-16.2	179.2	58.8	0	0	0	0	114	T7 Q32 Y33	T7-T9 PolarHBondContact O-N 3.05Å; T9-Q32 WeakPolarHBondContact O-CA 3.46Å; T9-Q32 PolarHBondContact O-N 3.04Å; T9-Y33 PolarHBondContact O-N 2.75Å
10	K	91.8	Very high	74.1	Confident	159 Å²	159	93.9 Å²	93.9	69%	0.691	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	132.8	175	-55.5	-176.5	-178.8	169.5	0	109.5	I8 Y33	I8-K10 WeakPolarHBondContact CG2-O 3.07Å; K10-Y33 WeakPolarHBondContact CA-O 3.38Å; K10-Y33 HydrophobicContact CB-CD1 4.31Å
11	L	92.1	Very high	74.5	Confident	36 Å²	36	90 Å²	90	19%	0.188	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.2	177.2	-174.4	63	0	0	0	109.6	L13 M28 L31 Y33 L34 D35	L11-L13 HydrophobicContact CD1-CD2 4.13Å; L11-L13 HydrophobicContact CD1-CG 4.45Å; L11-L13 HydrophobicContact CD2-CD1 3.95Å; L11-L13 HydrophobicContact CD2-CD2 4.44Å; L11-L13 HydrophobicContact CD2-CG 4.15Å; L11-L13 HydrophobicContact CG-CD1 4.34Å; L11-L13 HydrophobicContact CG-CD2 4.2Å; L11-L13 HydrophobicContact CG-CG 3.97Å; L11-M28 HydrophobicContact CD2-CE 4.12Å; L11-M28 HydrophobicContact CD2-SD 4.08Å; L11-L31 HydrophobicContact CB-CD1 3.65Å; L11-L31 HydrophobicContact CB-CD2 4.42Å; L11-Y33 PolarHBondContact N-O 3.05Å; L11-L34 HydrophobicContact CB-CD1 4.18Å; L11-L34 HydrophobicContact CD2-CD1 4.03Å; L11-L34 HydrophobicContact CG-CD1 4.24Å; L11-L34 WeakPolarHBondContact O-CA 3.39Å; L11-D35 PolarHBondContact O-N 3.32Å
12	N	91.5	Very high	76.4	Confident	95 Å²	95	84 Å²	84	51%	0.508	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.7	174.3	-175.2	4.2	0	0	0	109	S14 D35	N12-S14 WeakPolarHBondContact OD1-CB 3.4Å; N12-S14 PolarHBondContact OD1-N 2.63Å; N12-S14 PolarHBondContact OD1-OG 3.06Å; N12-D35 HydrophobicContact CB-CB 4.44Å
13	L	90.1	Very high	78.3	Confident	37 Å²	37	82.7 Å²	82.7	19%	0.194	45%	0.446	C	S	.	.			trans	-115.3	14.5	177.4	-58.9	176.9	0	0	0	111.2	L11 N16 L18 L21 I25 L34 D35 I36 N39	L11-L13 HydrophobicContact CD1-CD2 4.13Å; L11-L13 HydrophobicContact CD1-CG 4.45Å; L11-L13 HydrophobicContact CD2-CD1 3.95Å; L11-L13 HydrophobicContact CD2-CD2 4.44Å; L11-L13 HydrophobicContact CD2-CG 4.15Å; L11-L13 HydrophobicContact CG-CD1 4.34Å; L11-L13 HydrophobicContact CG-CD2 4.2Å; L11-L13 HydrophobicContact CG-CG 3.97Å; L13-N16 PolarHBondContact O-ND2 2.97Å; L13-N16 VanDerWaalsContact O-ND2 3.08Å; L13-L18 HydrophobicContact CB-CD1 3.95Å; L13-L18 HydrophobicContact CD1-CD1 4.27Å; L13-L21 HydrophobicContact CD1-CD2 3.65Å; L13-I25 HydrophobicContact CD1-CD1 3.87Å; L13-L34 HydrophobicContact CD1-CD1 4.43Å; L13-D35 CarbonylContact C-O 3.31Å; L13-D35 WeakPolarHBondContact CA-O 3.44Å; L13-D35 PolarHBondContact N-O 2.91Å; L13-I36 HydrophobicContact CB-CG2 4.23Å; L13-I36 HydrophobicContact CD1-CG2 4.23Å; L13-N39 PolarHBondContact O-ND2 2.85Å
14	S	88.6	Confident	80.1	Confident	25 Å²	25	80.7 Å²	80.7	18%	0.175	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	150.7	-179.8	60.7	0	0	0	0	112.7	N12 N16 D35 S37	N12-S14 WeakPolarHBondContact OD1-CB 3.4Å; N12-S14 PolarHBondContact OD1-N 2.63Å; N12-S14 PolarHBondContact OD1-OG 3.06Å; S14-N16 VanDerWaalsContact C-N 3.28Å; S14-N16 PolarHBondContact O-N 3.08Å; S14-N16 PolarHBondContact O-ND2 3.13Å; S14-D35 PolarHBondContact N-O 2.99Å; S14-S37 CarbonylContact C-O 3.52Å; S14-S37 WeakPolarHBondContact CA-O 3.39Å; S14-S37 WeakPolarHBondContact CB-O 3.5Å
15	N	87.2	Confident	82	Confident	115 Å²	115	73 Å²	73	62%	0.615	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	28.2	-179.4	-64.8	-69.4	0	0	0	115.6	S37 H38	N15-S37 PolarHBondContact N-O 2.94Å; N15-H38 WeakPolarHBondContact CA-O 3.4Å; N15-H38 PolarHBondContact N-O 2.93Å; N15-H38 WeakPolarHBondContact OD1-CB 3.38Å
16	N	85.7	Confident	83.4	Confident	71 Å²	71	70.1 Å²	70.1	38%	0.38	37%	0.368	S	S	.	.	S	Bend	trans	-98.2	6.6	-179.5	-79.7	-85.5	0	0	0	114.2	L13 S14 L18 N39	L13-N16 PolarHBondContact O-ND2 2.97Å; L13-N16 VanDerWaalsContact O-ND2 3.08Å; S14-N16 VanDerWaalsContact C-N 3.28Å; S14-N16 PolarHBondContact O-N 3.08Å; S14-N16 PolarHBondContact O-ND2 3.13Å; N16-L18 HydrophobicContact CB-CD1 4.31Å; N16-L18 HydrophobicContact CB-CD2 4.2Å; N16-L18 HydrophobicContact CB-CG 3.82Å; N16-L18 PolarHBondContact O-N 3.3Å; N16-L18 VanDerWaalsContact O-N 3.16Å; N16-N39 PolarHBondContact N-OD1 3.05Å; N16-N39 VanDerWaalsContact N-OD1 3.13Å
17	N	79.6	Confident	84.7	Confident	89 Å²	89	68 Å²	68	48%	0.476	36%	0.357	S	S	.	.			trans	56	28.9	-178.4	-146.4	-2.8	0	0	0	112.7	N19 N39 K1273	N17-N19 PolarHBondContact O-N 3.06Å; N17-N39 PolarHBondContact N-OD1 2.9Å; N17-K1273 PolarHBondContact ND2-NZ 3.31Å; N17-K1273 PolarHBondContact OD1-NZ 2.62Å
18	L	81.2	Confident	85.1	Confident	48 Å²	48	65 Å²	65	25%	0.251	34%	0.337	S	S	.	.			trans	-67.1	127.9	-177	-62.6	176.6	0	0	0	110.3	L13 N16 L21 N39 N40	L13-L18 HydrophobicContact CB-CD1 3.95Å; L13-L18 HydrophobicContact CD1-CD1 4.27Å; N16-L18 HydrophobicContact CB-CD1 4.31Å; N16-L18 HydrophobicContact CB-CD2 4.2Å; N16-L18 HydrophobicContact CB-CG 3.82Å; N16-L18 PolarHBondContact O-N 3.3Å; N16-L18 VanDerWaalsContact O-N 3.16Å; L18-L21 HydrophobicContact CD1-CD2 4.45Å; L18-N39 HydrophobicContact CB-CB 4.09Å; L18-N39 PolarHBondContact N-OD1 2.96Å; L18-N40 CarbonylContact O-C 3.57Å; L18-N40 PolarHBondContact O-N 2.85Å
19	N	78.7	Confident	85.3	Confident	54 Å²	54	66.8 Å²	66.8	29%	0.289	35%	0.346	S	S	.	.	S	Bend	trans	-86.8	-29.5	171.9	-66	-19.3	0	0	0	112	N17 N40 L41 Q91	N17-N19 PolarHBondContact O-N 3.06Å; N19-N40 WeakPolarHBondContact CA-O 3.21Å; N19-N40 PolarHBondContact OD1-ND2 3.4Å; N19-L41 WeakPolarHBondContact O-CA 3.28Å; N19-Q91 PolarHBondContact O-OE1 3.28Å
20	Y	79.8	Confident	85.2	Confident	149 Å²	149	67.1 Å²	67.1	58%	0.584	35%	0.346	S	S	*	.			trans	-136.2	165.2	178.1	71.2	-85.5	0	0	0	111.6	P22	Y20-P22 HydrophobicContact CE2-CB 4.39Å
21	L	82.7	Confident	85.2	Confident	12 Å²	12	59.6 Å²	59.6	6%	0.063	31%	0.313	C	S	.	.			trans	-114.1	127.2	168	-85.5	147.3	0	0	0	110.5	L13 L18 I25 I36 L41 Q91 L92	L13-L21 HydrophobicContact CD1-CD2 3.65Å; L18-L21 HydrophobicContact CD1-CD2 4.45Å; L21-I25 HydrophobicContact CD2-CD1 3.4Å; L21-I25 VanDerWaalsContact CD2-CD1 3.4Å; L21-I36 HydrophobicContact CD1-CB 4.11Å; L21-I36 HydrophobicContact CD1-CD1 3.49Å; L21-I36 VanDerWaalsContact CD1-CD1 3.49Å; L21-I36 HydrophobicContact CD1-CG1 4.39Å; L21-I36 HydrophobicContact CD1-CG2 3.84Å; L21-I36 HydrophobicContact CD2-CG2 3.77Å; L21-I36 HydrophobicContact CG-CG2 4.44Å; L21-L41 HydrophobicContact CD1-CD1 3.89Å; L21-L41 HydrophobicContact CD1-CD2 4.04Å; L21-L41 HydrophobicContact CG-CD2 4.35Å; L21-Q91 PolarHBondContact N-O 3.11Å; L21-L92 HydrophobicContact CD1-CD2 3.44Å; L21-L92 VanDerWaalsContact CD1-CD2 3.44Å
22	P	80.8	Confident	85.3	Confident	48 Å²	48	61.3 Å²	61.3	31%	0.312	32%	0.32	S	S	.	.			trans	-65.9	146.4	-177.8	24.7	-32.9	0	0	0	112.2	Y20 E24 I25	Y20-P22 HydrophobicContact CE2-CB 4.39Å; P22-E24 PolarHBondContact O-N 3.47Å; P22-I25 HydrophobicContact CG-CD1 3.9Å; P22-I25 HydrophobicContact CG-CG1 4.15Å; P22-I25 PolarHBondContact O-N 3.04Å
23	S	82.2	Confident	85.5	Confident	77 Å²	77	59.5 Å²	59.5	54%	0.538	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-54.8	-35.6	176.7	23.6	0	0	0	0	113.3	I25 C26	S23-I25 PolarHBondContact O-N 2.78Å; S23-I25 VanDerWaalsContact O-N 3.13Å; S23-C26 WeakPolarHBondContact O-CB 3.47Å; S23-C26 PolarHBondContact O-N 3.02Å; S23-C26 PolarHBondContact O-SG 3.08Å
24	E	82.8	Confident	85.8	Confident	118 Å²	118	57.9 Å²	57.9	55%	0.551	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-62.9	-18.9	-174.8	-64.5	89.9	136.2	0	0	112.7	P22 C26 D27	P22-E24 PolarHBondContact O-N 3.47Å; E24-C26 PolarHBondContact O-N 3.11Å; E24-D27 WeakPolarHBondContact O-CB 3.32Å; E24-D27 PolarHBondContact O-N 3.18Å; E24-D27 VanDerWaalsContact O-N 3.17Å
25	I	86	Confident	86	Confident	13 Å²	13	57 Å²	57	7%	0.067	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-61.1	-31.8	168.9	-71.8	169.7	0	0	0	110.6	L13 L21 P22 S23 D27 M28 L31 L34 L99	L13-I25 HydrophobicContact CD1-CD1 3.87Å; L21-I25 HydrophobicContact CD2-CD1 3.4Å; L21-I25 VanDerWaalsContact CD2-CD1 3.4Å; P22-I25 HydrophobicContact CG-CD1 3.9Å; P22-I25 HydrophobicContact CG-CG1 4.15Å; P22-I25 PolarHBondContact O-N 3.04Å; S23-I25 PolarHBondContact O-N 2.78Å; S23-I25 VanDerWaalsContact O-N 3.13Å; I25-D27 PolarHBondContact O-N 3.28Å; I25-M28 HydrophobicContact CB-SD 4.49Å; I25-M28 HydrophobicContact CG1-SD 4.31Å; I25-M28 VanDerWaalsContact O-CB 3.25Å; I25-M28 WeakPolarHBondContact O-CB 3.11Å; I25-M28 WeakPolarHBondContact O-CG 3.23Å; I25-M28 PolarHBondContact O-N 3.02Å; I25-M28 VanDerWaalsContact O-N 3.1Å; I25-L31 HydrophobicContact CG2-CD2 4.45Å; I25-L34 HydrophobicContact CG2-CD2 4.37Å; I25-L99 HydrophobicContact CG2-CD1 4.42Å; I25-L99 WeakPolarHBondContact O-CD2 3.38Å
26	C	84.7	Confident	86.3	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.02	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-69.1	-18.1	178.7	-50.5	0	0	0	0	113.1	S23 E24 M28 P93 D95 R98	S23-C26 WeakPolarHBondContact O-CB 3.47Å; S23-C26 PolarHBondContact O-N 3.02Å; S23-C26 PolarHBondContact O-SG 3.08Å; E24-C26 PolarHBondContact O-N 3.11Å; C26-M28 VanDerWaalsContact C-N 3.27Å; C26-P93 VanDerWaalsContact SG-CG 3.6Å; C26-D95 HydrophobicContact CB-CB 4.2Å; C26-D95 VanDerWaalsContact SG-C 3.56Å; C26-R98 HydrophobicContact CB-CB 4.47Å
27	D	84.2	Confident	86.5	Confident	73 Å²	73	48.4 Å²	48.4	39%	0.39	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-82.2	-8.3	174.8	-56.9	-38.9	0	0	0	112.4	N2 E24 I25 I29	N2-D27 PolarHBondContact ND2-O 2.99Å; E24-D27 WeakPolarHBondContact O-CB 3.32Å; E24-D27 PolarHBondContact O-N 3.18Å; E24-D27 VanDerWaalsContact O-N 3.17Å; I25-D27 PolarHBondContact O-N 3.28Å; D27-I29 PolarHBondContact O-N 3.29Å
28	M	86.3	Confident	87	Confident	31 Å²	31	48.1 Å²	48.1	15%	0.153	24%	0.241	C	C	.	.			trans	-81.2	56.9	175.4	-52.9	177	67.5	0	0	110.7	I8 L11 I25 C26 N30 L31	I8-M28 HydrophobicContact CB-CE 3.54Å; I8-M28 HydrophobicContact CD1-CE 3.72Å; I8-M28 HydrophobicContact CG1-CE 4.2Å; I8-M28 HydrophobicContact CG2-CE 3.47Å; I8-M28 VanDerWaalsContact CG2-CE 3.47Å; L11-M28 HydrophobicContact CD2-CE 4.12Å; L11-M28 HydrophobicContact CD2-SD 4.08Å; I25-M28 HydrophobicContact CB-SD 4.49Å; I25-M28 HydrophobicContact CG1-SD 4.31Å; I25-M28 VanDerWaalsContact O-CB 3.25Å; I25-M28 WeakPolarHBondContact O-CB 3.11Å; I25-M28 WeakPolarHBondContact O-CG 3.23Å; I25-M28 PolarHBondContact O-N 3.02Å; I25-M28 VanDerWaalsContact O-N 3.1Å; C26-M28 VanDerWaalsContact C-N 3.27Å; M28-N30 PolarHBondContact O-N 3.19Å; M28-L31 HydrophobicContact CB-CB 4.21Å; M28-L31 HydrophobicContact CE-CD1 4.4Å; M28-L31 WeakPolarHBondContact O-CB 3.3Å; M28-L31 PolarHBondContact O-N 2.86Å
29	I	85	Confident	87.3	Confident	88 Å²	88	46.2 Å²	46.2	45%	0.451	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.5	-171.7	60.3	169.7	0	0	0	115.1	D27 N101	D27-I29 PolarHBondContact O-N 3.29Å; I29-N101 WeakPolarHBondContact O-CB 3.4Å; I29-N101 PolarHBondContact O-ND2 3.12Å
30	N	88.4	Confident	87.4	Confident	69 Å²	69	46.6 Å²	46.6	37%	0.369	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.3	178.1	-69	-36.4	0	0	0	114.1	M28 Q32	M28-N30 PolarHBondContact O-N 3.19Å; N30-Q32 PolarHBondContact O-N 3.04Å
31	L	91.9	Very high	87.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.			trans	-67.7	121.3	-177.4	-169.8	67.4	0	0	0	111.2	I8 L11 I25 M28 Y33 L34 L99 N101 L102	I8-L31 HydrophobicContact CG2-CD1 4.23Å; L11-L31 HydrophobicContact CB-CD1 3.65Å; L11-L31 HydrophobicContact CB-CD2 4.42Å; I25-L31 HydrophobicContact CG2-CD2 4.45Å; M28-L31 HydrophobicContact CB-CB 4.21Å; M28-L31 HydrophobicContact CE-CD1 4.4Å; M28-L31 WeakPolarHBondContact O-CB 3.3Å; M28-L31 PolarHBondContact O-N 2.86Å; L31-Y33 WeakPolarHBondContact CD1-O 3.45Å; L31-L34 HydrophobicContact CD2-CB 4.1Å; L31-L34 HydrophobicContact CD2-CD1 4.31Å; L31-L34 HydrophobicContact CD2-CD2 4.43Å; L31-L99 HydrophobicContact CB-CD2 4.44Å; L31-N101 CarbonylContact O-C 3.32Å; L31-N101 VanDerWaalsContact O-C 3.25Å; L31-L102 HydrophobicContact CD2-CD1 4.32Å; L31-L102 HydrophobicContact CG-CD1 4.12Å; L31-L102 VanDerWaalsContact O-CA 3.24Å; L31-L102 WeakPolarHBondContact O-CA 3.19Å; L31-L102 PolarHBondContact O-N 2.92Å
32	Q	94.6	Very high	86.4	Confident	72 Å²	72	45.2 Å²	45.2	34%	0.336	23%	0.227	S	C	.	.			trans	-106.9	-20.4	-179.5	-56.6	-169.8	31.6	0	0	113.4	T9 N30 N101 K103 T104	T9-Q32 WeakPolarHBondContact O-CA 3.46Å; T9-Q32 PolarHBondContact O-N 3.04Å; N30-Q32 PolarHBondContact O-N 3.04Å; Q32-N101 WeakPolarHBondContact CA-O 3.31Å; Q32-N101 HydrophobicContact CG-CB 4.38Å; Q32-K103 PolarHBondContact O-N 3.06Å; Q32-T104 PolarHBondContact O-N 3.1Å
33	Y	96.2	Very high	84.8	Confident	58 Å²	58	44.4 Å²	44.4	23%	0.227	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126	179.3	177.3	-80.7	0	0	0	109.8	T9 K10 L11 L31 D35 T104 K106	T9-Y33 PolarHBondContact O-N 2.75Å; K10-Y33 WeakPolarHBondContact CA-O 3.38Å; K10-Y33 HydrophobicContact CB-CD1 4.31Å; L11-Y33 PolarHBondContact N-O 3.05Å; L31-Y33 WeakPolarHBondContact CD1-O 3.45Å; Y33-D35 HydrophobicContact CE1-CB 3.55Å; Y33-D35 PolarHBondContact OH-OD2 3.31Å; Y33-T104 WeakPolarHBondContact CA-O 3.46Å; Y33-T104 HydrophobicContact CD2-CG2 3.67Å; Y33-T104 HydrophobicContact CE2-CG2 3.8Å; Y33-K106 WeakPolarHBondContact OH-CD 3.35Å; Y33-K106 WeakPolarHBondContact OH-CE 3.22Å; Y33-K106 PolarHBondContact OH-NZ 3.11Å
34	L	95.1	Very high	82.5	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.3	172.7	-179.6	56.7	0	0	0	109.3	L11 L13 I25 L31 I36 L102 T104 L105 K106	L11-L34 HydrophobicContact CB-CD1 4.18Å; L11-L34 HydrophobicContact CD2-CD1 4.03Å; L11-L34 HydrophobicContact CG-CD1 4.24Å; L11-L34 WeakPolarHBondContact O-CA 3.39Å; L13-L34 HydrophobicContact CD1-CD1 4.43Å; I25-L34 HydrophobicContact CG2-CD2 4.37Å; L31-L34 HydrophobicContact CD2-CB 4.1Å; L31-L34 HydrophobicContact CD2-CD1 4.31Å; L31-L34 HydrophobicContact CD2-CD2 4.43Å; L34-I36 HydrophobicContact CD1-CG2 3.73Å; L34-I36 HydrophobicContact CD2-CG2 4.32Å; L34-I36 HydrophobicContact CG-CG2 3.88Å; L34-L102 HydrophobicContact CB-CD1 3.71Å; L34-L102 HydrophobicContact CB-CD2 4.41Å; L34-T104 PolarHBondContact N-O 3.18Å; L34-L105 HydrophobicContact CB-CD1 4.07Å; L34-L105 HydrophobicContact CD2-CD1 3.97Å; L34-L105 HydrophobicContact CG-CD1 3.98Å; L34-L105 CarbonylContact O-C 3.42Å; L34-L105 WeakPolarHBondContact O-CA 3.14Å; L34-K106 PolarHBondContact O-N 3.3Å
35	D	93.8	Very high	80	Confident	8 Å²	8	45.2 Å²	45.2	4%	0.043	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	111.8	175	-164.8	-17.1	0	0	0	109	L11 N12 L13 S14 Y33 S37 K106	L11-D35 PolarHBondContact O-N 3.32Å; N12-D35 HydrophobicContact CB-CB 4.44Å; L13-D35 CarbonylContact C-O 3.31Å; L13-D35 WeakPolarHBondContact CA-O 3.44Å; L13-D35 PolarHBondContact N-O 2.91Å; S14-D35 PolarHBondContact N-O 2.99Å; Y33-D35 HydrophobicContact CE1-CB 3.55Å; Y33-D35 PolarHBondContact OH-OD2 3.31Å; D35-S37 WeakPolarHBondContact OD1-CB 3.45Å; D35-S37 PolarHBondContact OD1-N 2.74Å; D35-S37 PolarHBondContact OD1-OG 3.44Å; D35-K106 HydrophobicContact CB-CB 4.37Å; D35-K106 HydrophobicContact CB-CD 4.1Å; D35-K106 WeakPolarHBondContact OD2-CD 3.42Å; D35-K106 IonicContact OD2-NZ 2.93Å; D35-K106 PolarHBondContact OD2-NZ 3.05Å
36	I	92.1	Very high	77.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.			trans	-119.3	18.4	-177.7	55.6	168.2	0	0	0	111.3	L13 L21 L34 N39 L41 L92 L105 K106 M107 C110	L13-I36 HydrophobicContact CB-CG2 4.23Å; L13-I36 HydrophobicContact CD1-CG2 4.23Å; L21-I36 HydrophobicContact CD1-CB 4.11Å; L21-I36 HydrophobicContact CD1-CD1 3.49Å; L21-I36 VanDerWaalsContact CD1-CD1 3.49Å; L21-I36 HydrophobicContact CD1-CG1 4.39Å; L21-I36 HydrophobicContact CD1-CG2 3.84Å; L21-I36 HydrophobicContact CD2-CG2 3.77Å; L21-I36 HydrophobicContact CG-CG2 4.44Å; L34-I36 HydrophobicContact CD1-CG2 3.73Å; L34-I36 HydrophobicContact CD2-CG2 4.32Å; L34-I36 HydrophobicContact CG-CG2 3.88Å; I36-N39 PolarHBondContact O-ND2 2.73Å; I36-L41 HydrophobicContact CD1-CD1 4.05Å; I36-L92 HydrophobicContact CD1-CD2 3.97Å; I36-L105 HydrophobicContact CD1-CD1 4.35Å; I36-L105 HydrophobicContact CG1-CD1 4.35Å; I36-K106 WeakPolarHBondContact CG1-O 3.38Å; I36-K106 PolarHBondContact N-O 3.19Å; I36-M107 HydrophobicContact CD1-CB 3.84Å; I36-M107 HydrophobicContact CD1-CE 4.48Å; I36-M107 HydrophobicContact CG1-CB 3.71Å; I36-C110 PolarHBondContact O-SG 2.77Å
37	S	91.2	Very high	74.7	Confident	4 Å²	4	59.5 Å²	59.5	3%	0.028	32%	0.315	C	S	.	.			trans	-65	153.9	-174.4	-46.1	0	0	0	0	113.2	S14 N15 D35 N39 K106 S108	S14-S37 CarbonylContact C-O 3.52Å; S14-S37 WeakPolarHBondContact CA-O 3.39Å; S14-S37 WeakPolarHBondContact CB-O 3.5Å; N15-S37 PolarHBondContact N-O 2.94Å; D35-S37 WeakPolarHBondContact OD1-CB 3.45Å; D35-S37 PolarHBondContact OD1-N 2.74Å; D35-S37 PolarHBondContact OD1-OG 3.44Å; S37-N39 PolarHBondContact O-ND2 2.95Å; S37-K106 WeakPolarHBondContact OG-CB 3.43Å; S37-S108 CarbonylContact C-O 3.25Å; S37-S108 WeakPolarHBondContact CA-O 3.33Å; S37-S108 WeakPolarHBondContact CB-O 3.47Å; S37-S108 WeakPolarHBondContact CB-OG 3.24Å; S37-S108 PolarHBondContact OG-N 2.94Å; S37-S108 PolarHBondContact OG-OG 3.34Å
38	H	89.4	Confident	72	Confident	83 Å²	83	62.2 Å²	62.2	38%	0.384	34%	0.336	S	S	.	.	S	Bend	trans	57	52	179.8	-46.5	-74.4	0	0	0	113	N15 S108 S109	N15-H38 WeakPolarHBondContact CA-O 3.4Å; N15-H38 PolarHBondContact N-O 2.93Å; N15-H38 WeakPolarHBondContact OD1-CB 3.38Å; H38-S108 PolarHBondContact N-O 3.09Å; H38-S109 WeakPolarHBondContact CA-O 3.43Å; H38-S109 PolarHBondContact CE1-OG 3.05Å; H38-S109 VanDerWaalsContact CE1-OG 3.24Å; H38-S109 WeakPolarHBondContact ND1-CB 3.3Å; H38-S109 PolarHBondContact ND1-OG 3.35Å
39	N	86.9	Confident	69.2	Low	8 Å²	8	63.8 Å²	63.8	4%	0.043	36%	0.361	C	S	.	.			trans	-130.1	168.4	175	-76.4	-57.9	0	0	0	109.5	L13 N16 N17 L18 I36 S37 L41 C110	L13-N39 PolarHBondContact O-ND2 2.85Å; N16-N39 PolarHBondContact N-OD1 3.05Å; N16-N39 VanDerWaalsContact N-OD1 3.13Å; N17-N39 PolarHBondContact N-OD1 2.9Å; L18-N39 HydrophobicContact CB-CB 4.09Å; L18-N39 PolarHBondContact N-OD1 2.96Å; I36-N39 PolarHBondContact O-ND2 2.73Å; S37-N39 PolarHBondContact O-ND2 2.95Å; N39-L41 HydrophobicContact CB-CG 4.32Å; N39-C110 CarbonylContact O-C 3.54Å; N39-C110 WeakPolarHBondContact O-CA 3.44Å
40	N	81.2	Confident	66.5	Low	62 Å²	62	68.9 Å²	68.9	33%	0.332	39%	0.385	S	S	.	.			trans	-111.6	61.6	-172.2	-176.5	35	0	0	0	111.8	L18 N19 R42	L18-N40 CarbonylContact O-C 3.57Å; L18-N40 PolarHBondContact O-N 2.85Å; N19-N40 WeakPolarHBondContact CA-O 3.21Å; N19-N40 PolarHBondContact OD1-ND2 3.4Å; N40-R42 PolarHBondContact O-N 2.93Å
41	L	75.9	Confident	63.5	Low	0 Å²	0	72.9 Å²	72.9	0%	0	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	17.8	-167.3	-62.9	176.1	0	0	0	115.3	N19 L21 I36 N39 L92 C110 L112	N19-L41 WeakPolarHBondContact O-CA 3.28Å; L21-L41 HydrophobicContact CD1-CD1 3.89Å; L21-L41 HydrophobicContact CD1-CD2 4.04Å; L21-L41 HydrophobicContact CG-CD2 4.35Å; I36-L41 HydrophobicContact CD1-CD1 4.05Å; N39-L41 HydrophobicContact CB-CG 4.32Å; L41-L92 HydrophobicContact CD1-CD2 4.06Å; L41-C110 HydrophobicContact CD1-CB 4.32Å; L41-C110 PolarHBondContact N-O 3.38Å; L41-L112 HydrophobicContact CB-CD2 4.07Å
42	R	64.8	Low	60.5	Low	133 Å²	133	77.9 Å²	77.9	50%	0.502	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-17	-176	-169.6	165.8	170.8	173	-2.8	113.6	N40 D111	N40-R42 PolarHBondContact O-N 2.93Å; R42-D111 WeakPolarHBondContact CD-OD2 3.46Å; R42-D111 IonicContact CZ-OD2 2.81Å; R42-D111 IonicContact NE-OD2 3.74Å; R42-D111 IonicContact NH1-OD1 3.79Å; R42-D111 PolarHBondContact NH1-OD1 2.9Å; R42-D111 IonicContact NH1-OD2 3.71Å; R42-D111 PolarHBondContact NH1-OD2 3.32Å
43	G	49	Very low	57.3	Low	30 Å²	30	82.1 Å²	82.1	31%	0.309	47%	0.465	S	S	.	.			trans	79.6	130.9	170.4	0	0	0	0	0	115.6	Q91	G43-Q91 VanDerWaalsContact CA-CD 3.44Å
44	S	33.7	Very low	54.1	Low	74 Å²	74	86.8 Å²	86.8	52%	0.517	49%	0.494	S	S	.	.			trans	-89.6	139.9	163.8	49.4	0	0	0	0	110.3	E46	S44-E46 PolarHBondContact O-N 2.96Å
45	T	29.2	Very low	50.8	Low	139 Å²	139	90 Å²	90	85%	0.853	53%	0.527	S	S	*	.			trans	-83.2	93.1	179.1	48.5	0	0	0	0	111.5
46	E	29.5	Very low	47.6	Very low	178 Å²	178	96.5 Å²	96.5	83%	0.832	56%	0.56	S	S	*	*			trans	-129.4	145.4	165.1	-75	-174	161.1	0	0	111.4	S44	S44-E46 PolarHBondContact O-N 2.96Å
47	V	29.5	Very low	44.5	Very low	137 Å²	137	102.8 Å²	102.8	83%	0.83	60%	0.601	S	S	*	*			trans	-90.8	131.7	-161.5	-179.6	0	0	0	0	110.7	G49	V47-G49 PolarHBondContact O-N 3.34Å
48	P	28.5	Very low	41.4	Very low	130 Å²	130	110.7 Å²	110.7	84%	0.844	64%	0.64	S	S	*	*	S	Bend	trans	-78.7	104.2	174.4	31.2	-32.1	0	0	0	110.4
49	G	27.4	Very low	38.6	Very low	65 Å²	65	115.8 Å²	115.8	67%	0.67	66%	0.661	S	S	*	*			trans	144.1	94.7	163.7	0	0	0	0	0	115.2	V47	V47-G49 PolarHBondContact O-N 3.34Å
50	M	27.5	Very low	35.7	Very low	194 Å²	194	122.1 Å²	122.1	96%	0.956	70%	0.695	S	S	*	*			trans	-155.3	119.7	143.9	-116.8	169.1	171.1	0	0	109.7
51	N	26.5	Very low	33	Very low	153 Å²	153	124.3 Å²	124.3	82%	0.818	71%	0.711	S	S	*	*			trans	-79.9	145.6	174.5	-66.9	-33	0	0	0	109.7
52	S	27.5	Very low	30.6	Very low	106 Å²	106	131.1 Å²	131.1	74%	0.741	75%	0.747	S	S	*	*			trans	62.9	159.1	152.5	63.6	0	0	0	0	119.6
53	I	28.8	Very low	28.6	Very low	160 Å²	160	133 Å²	133	82%	0.821	76%	0.761	S	S	*	*			trans	97.4	131.2	169.1	-54.5	166.2	0	0	0	114.7
54	D	28.5	Very low	27.5	Very low	156 Å²	156	136.2 Å²	136.2	83%	0.834	78%	0.779	S	S	*	*			trans	-76.6	155.9	-166.4	-54.9	-86.6	0	0	0	115.3
55	G	26.5	Very low	27.1	Very low	69 Å²	69	137.7 Å²	137.7	71%	0.711	78%	0.78	S	S	*	*			trans	92.8	162	145.5	0	0	0	0	0	117.6
56	I	26.8	Very low	27.1	Very low	145 Å²	145	138.9 Å²	138.9	74%	0.744	78%	0.776	S	S	*	*			trans	74	91.6	173.8	-47	164.6	0	0	0	115	M58	I56-M58 HydrophobicContact CG2-CG 3.83Å; I56-M58 PolarHBondContact O-N 2.96Å; I56-M58 VanDerWaalsContact O-N 3.17Å
57	P	26.5	Very low	26.9	Very low	132 Å²	132	139.3 Å²	139.3	86%	0.857	77%	0.77	S	S	*	*			trans	-79.3	91.1	163.7	32.6	-31.2	0	0	0	110.2	K59	P57-K59 PolarHBondContact O-N 2.92Å
58	M	26.5	Very low	26.7	Very low	171 Å²	171	137.3 Å²	137.3	84%	0.842	76%	0.762	S	S	*	*			trans	-74.7	109.4	172.1	-87.7	-148.5	152.7	0	0	111.8	I56	I56-M58 HydrophobicContact CG2-CG 3.83Å; I56-M58 PolarHBondContact O-N 2.96Å; I56-M58 VanDerWaalsContact O-N 3.17Å
59	K	30.5	Very low	26.5	Very low	190 Å²	190	138.1 Å²	138.1	83%	0.826	76%	0.759	S	S	*	*			trans	-70.2	131.3	155.4	-74.8	177.6	174.5	175.9	0	109.5	P57	P57-K59 PolarHBondContact O-N 2.92Å
60	N	25.4	Very low	26.4	Very low	141 Å²	141	141.4 Å²	141.4	75%	0.754	76%	0.755	S	S	*	*			trans	-168	112.9	142.4	-93.9	-18.3	0	0	0	105.8
61	T	25.1	Very low	26.3	Very low	108 Å²	108	136.5 Å²	136.5	66%	0.663	74%	0.74	S	S	*	*				42.8	99.7	75.4	66.6	0	0	0	0	113.2
62	N	24.5	Very low	26.2	Very low	143 Å²	143	135.1 Å²	135.1	77%	0.765	74%	0.737	S	S	*	*				-176.8	115.3	119.9	-81.9	-13	0	0	0	106.2
63	E	24.2	Very low	26.2	Very low	172 Å²	172	133.9 Å²	133.9	80%	0.804	72%	0.722	S	S	*	*				59.1	103.6	79.9	-72.5	-153.3	153.4	0	0	113.9
64	S	25.2	Very low	26	Very low	97 Å²	97	133 Å²	133	68%	0.678	72%	0.718	S	S	*	*				102.5	147.3	122.6	85.3	0	0	0	0	119.5
65	I	24.9	Very low	25.9	Very low	105 Å²	105	133.6 Å²	133.6	54%	0.538	72%	0.72	S	S	.	*			trans	68.4	104.2	156	-52.4	154.3	0	0	0	117	R67	I65-R67 HydrophobicContact CG2-CG 4.18Å
66	H	28.8	Very low	25.7	Very low	164 Å²	164	135.8 Å²	135.8	76%	0.759	72%	0.716	S	S	*	*				-172	93.3	107.2	-98.5	-75.1	0	0	0	108.6
67	R	25.2	Very low	25.6	Very low	187 Å²	187	135 Å²	135	71%	0.706	71%	0.713	S	S	*	*				74.1	101.9	86	-78.6	-178.4	175.6	160.2	1.1	114.4	I65	I65-R67 HydrophobicContact CG2-CG 4.18Å
68	S	26	Very low	25.5	Very low	95 Å²	95	135 Å²	135	66%	0.664	71%	0.706	S	S	*	*				10.9	132.9	124.1	59.5	0	0	0	0	118.7
69	N	24	Very low	25.6	Very low	147 Å²	147	133.9 Å²	133.9	79%	0.786	70%	0.703	S	S	*	*				-168.1	122.8	119.7	-87.4	-22.9	0	0	0	107.7
70	K	25.7	Very low	25.3	Very low	134 Å²	134	132.7 Å²	132.7	58%	0.583	70%	0.7	S	S	*	*				45.1	99.6	81.1	-83.8	-164.3	173.9	-170.6	0	113.3	V72 L1039	K70-V72 PolarHBondContact O-N 3.12Å; K70-L1039 PolarHBondContact NZ-O 3.05Å
71	S	25	Very low	25.3	Very low	91 Å²	91	132.1 Å²	132.1	64%	0.636	70%	0.697	S	S	*	*			trans	32.1	87.3	136.9	60.7	0	0	0	0	117.2
72	V	23.8	Very low	25.4	Very low	125 Å²	125	135.8 Å²	135.8	76%	0.758	71%	0.706	S	S	*	*			trans	-133.7	95.6	155.4	-178.1	0	0	0	0	108.6	K70	K70-V72 PolarHBondContact O-N 3.12Å
73	D	28.8	Very low	25.6	Very low	80 Å²	80	133.8 Å²	133.8	43%	0.428	71%	0.71	S	S	.	*			trans	-61.5	149.3	150.9	-140.4	-20.2	0	0	0	107.5	S244	D73-S244 PolarHBondContact OD2-N 3.04Å
74	L	23.4	Very low	25.6	Very low	142 Å²	142	133.8 Å²	133.8	74%	0.743	72%	0.715	S	S	*	*			trans	90.8	92.4	179.8	-51.2	160.1	0	0	0	117.6
75	L	26.6	Very low	25.6	Very low	167 Å²	167	132.4 Å²	132.4	87%	0.874	72%	0.717	S	S	*	*				-167.3	102.9	121	-93.6	171	0	0	0	104.9
76	N	23.3	Very low	25.7	Very low	116 Å²	116	137.1 Å²	137.1	62%	0.62	73%	0.733	S	S	*	*				35.6	121.5	86.6	-76.8	9.3	0	0	0	112.4
77	N	23.8	Very low	25.7	Very low	127 Å²	127	136.7 Å²	136.7	68%	0.679	74%	0.735	S	S	*	*			cis	-153.4	166.5	14.2	-95	-32.8	0	0	0	111.8
78	N	25.6	Very low	26.2	Very low	134 Å²	134	131.9 Å²	131.9	72%	0.717	72%	0.724	S	S	*	*			trans	-2.3	126	149.6	-48.4	-27.7	0	0	0	117.5
79	N	26.8	Very low	27.1	Very low	147 Å²	147	135.2 Å²	135.2	79%	0.786	73%	0.729	S	S	*	*			trans	170.4	119.4	134.3	-83.8	-11	0	0	0	106.1
80	H	25.5	Very low	28.5	Very low	165 Å²	165	129.8 Å²	129.8	76%	0.764	70%	0.701	S	S	*	*				40.6	100.4	78.1	-79.1	-72.5	0	0	0	110.2
81	D	25.3	Very low	30.2	Very low	128 Å²	128	126.4 Å²	126.4	68%	0.684	69%	0.687	S	S	*	*				-171.9	175.9	52.6	-84.1	-39	0	0	0	113.3
82	H	27	Very low	32.7	Very low	186 Å²	186	122.7 Å²	122.7	86%	0.861	66%	0.66	S	S	*	*			trans	-19.7	118.3	160.9	-59.6	-88.3	0	0	0	118.1
83	A	27.9	Very low	35.4	Very low	101 Å²	101	117.5 Å²	117.5	84%	0.835	63%	0.629	S	S	*	*			trans	-158.4	134.8	145.8	0	0	0	0	0	113.3
84	N	24.7	Very low	37.8	Very low	171 Å²	171	122.1 Å²	122.1	91%	0.914	65%	0.645	S	S	*	*			trans	-67.3	139.5	-178.4	-61	-56.7	0	0	0	115.3
85	G	25.6	Very low	40.7	Very low	69 Å²	69	118.6 Å²	118.6	71%	0.711	63%	0.627	S	S	*	*				100.1	153.7	121.5	0	0	0	0	0	120.3
86	K	26.8	Very low	43.6	Very low	204 Å²	204	110.8 Å²	110.8	89%	0.887	59%	0.586	S	S	*	*			trans	79.1	150	174.8	-56.1	178.1	178.1	177.2	0	116.4
87	L	28.5	Very low	46.4	Very low	154 Å²	154	108.5 Å²	108.5	81%	0.806	57%	0.574	S	S	*	*			trans	79.9	70.4	170.9	-55.2	167	0	0	0	118.1
88	D	35.7	Very low	49.5	Very low	86 Å²	86	108.6 Å²	108.6	46%	0.46	57%	0.565	S	S	.	*			trans	-170.1	79.4	136.9	-99.6	-15.6	0	0	0	107.1	V90 K113 F114	D88-V90 PolarHBondContact O-N 3.1Å; D88-K113 IonicContact OD1-NZ 3.16Å; D88-K113 PolarHBondContact OD1-NZ 3.43Å; D88-K113 VanDerWaalsContact OD1-NZ 3.16Å; D88-K113 IonicContact OD2-NZ 3.93Å; D88-K113 PolarHBondContact OD2-NZ 2.77Å; D88-F114 HydrophobicContact CB-CE1 3.82Å; D88-F114 HydrophobicContact CB-CZ 3.99Å; D88-F114 WeakPolarHBondContact O-CZ 3.44Å
89	H	44.5	Very low	52.5	Low	166 Å²	166	102.2 Å²	102.2	77%	0.769	53%	0.53	S	S	*	.			trans	-91.1	91.1	178.2	-83.2	-53.7	0	0	0	111	Q91	H89-Q91 PolarHBondContact O-N 2.89Å
90	V	54.3	Low	55.5	Low	33 Å²	33	100.7 Å²	100.7	20%	0.2	52%	0.521	C	S	.	.			trans	-62.6	131.1	174.2	176.6	0	0	0	0	110.9	D88 L92 L112 F114 P116	D88-V90 PolarHBondContact O-N 3.1Å; V90-L92 VanDerWaalsContact C-N 3.28Å; V90-L92 PolarHBondContact O-N 2.98Å; V90-L112 HydrophobicContact CG1-CD2 3.58Å; V90-L112 HydrophobicContact CG2-CD2 4.5Å; V90-F114 HydrophobicContact CB-CE2 4.31Å; V90-F114 HydrophobicContact CG2-CD2 4.24Å; V90-F114 HydrophobicContact CG2-CE1 4.25Å; V90-F114 HydrophobicContact CG2-CE2 3.5Å; V90-F114 HydrophobicContact CG2-CZ 3.51Å; V90-P116 HydrophobicContact CB-CG 3.87Å; V90-P116 HydrophobicContact CG1-CG 3.42Å; V90-P116 VanDerWaalsContact CG1-CG 3.42Å; V90-P116 HydrophobicContact CG2-CG 4.44Å
91	Q	62.2	Low	58.7	Low	62 Å²	62	95.7 Å²	95.7	29%	0.29	50%	0.5	S	S	.	.			trans	-87.6	48	-164.5	-60.5	-172.4	-21.2	0	0	114	N19 L21 G43 H89	N19-Q91 PolarHBondContact O-OE1 3.28Å; L21-Q91 PolarHBondContact N-O 3.11Å; G43-Q91 VanDerWaalsContact CA-CD 3.44Å; H89-Q91 PolarHBondContact O-N 2.89Å
92	L	77	Confident	62	Low	14 Å²	14	89.6 Å²	89.6	7%	0.073	47%	0.467	C	S	.	.	S	Bend	trans	-93.3	139.7	163	-65	-179	0	0	0	110	L21 I36 L41 V90 K94 M96 M107 P116 I118 V119	L21-L92 HydrophobicContact CD1-CD2 3.44Å; L21-L92 VanDerWaalsContact CD1-CD2 3.44Å; I36-L92 HydrophobicContact CD1-CD2 3.97Å; L41-L92 HydrophobicContact CD1-CD2 4.06Å; V90-L92 VanDerWaalsContact C-N 3.28Å; V90-L92 PolarHBondContact O-N 2.98Å; L92-K94 PolarHBondContact O-N 3.26Å; L92-M96 HydrophobicContact CB-CE 4.41Å; L92-M96 HydrophobicContact CD1-CE 3.85Å; L92-M107 HydrophobicContact CD1-CE 3.69Å; L92-P116 HydrophobicContact CD1-CB 4.06Å; L92-P116 HydrophobicContact CD1-CG 3.71Å; L92-P116 HydrophobicContact CG-CG 4.33Å; L92-I118 HydrophobicContact CB-CG2 4.38Å; L92-V119 HydrophobicContact CD1-CG2 3.92Å
93	P	80.6	Confident	65.3	Low	16 Å²	16	85 Å²	85	10%	0.104	45%	0.445	C	S	.	.			trans	-63.7	138.1	-179.4	24.6	-32.5	0	0	0	111.6	C26 D95 M96	C26-P93 VanDerWaalsContact SG-CG 3.6Å; P93-D95 PolarHBondContact O-N 3.26Å; P93-M96 HydrophobicContact CG-CB 4.37Å; P93-M96 WeakPolarHBondContact O-CB 3.46Å; P93-M96 PolarHBondContact O-N 3.2Å
94	K	79.6	Confident	68.6	Low	177 Å²	177	81.4 Å²	81.4	77%	0.77	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.7	-174.2	-65.1	176.9	-177.4	171.8	0	113	L92 I118	L92-K94 PolarHBondContact O-N 3.26Å; K94-I118 WeakPolarHBondContact O-CD1 3.38Å
95	D	83.4	Confident	72	Confident	68 Å²	68	73.2 Å²	73.2	36%	0.364	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	14.9	-178.8	-69.7	-96.2	0	0	0	113.7	C26 P93 N97 R98	C26-D95 HydrophobicContact CB-CB 4.2Å; C26-D95 VanDerWaalsContact SG-C 3.56Å; P93-D95 PolarHBondContact O-N 3.26Å; D95-N97 VanDerWaalsContact C-OD1 3.28Å; D95-N97 WeakPolarHBondContact CA-OD1 3.34Å; D95-N97 PolarHBondContact O-N 3.25Å; D95-N97 PolarHBondContact O-OD1 2.92Å; D95-R98 HydrophobicContact CB-CG 4.2Å; D95-R98 VanDerWaalsContact O-CB 3.28Å; D95-R98 WeakPolarHBondContact O-CB 3.41Å; D95-R98 VanDerWaalsContact O-CG 3.29Å; D95-R98 WeakPolarHBondContact O-CG 3.36Å; D95-R98 PolarHBondContact O-N 2.96Å; D95-R98 IonicContact OD1-CZ 2.69Å; D95-R98 IonicContact OD1-NE 3.52Å; D95-R98 PolarHBondContact OD1-NE 2.93Å; D95-R98 IonicContact OD1-NH2 2.95Å; D95-R98 PolarHBondContact OD1-NH2 3.43Å
96	M	86.9	Confident	75.3	Confident	3 Å²	3	72.5 Å²	72.5	2%	0.015	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-62.4	-15.5	-178.4	-163	175.4	54.7	0	0	113.3	L92 P93 R98 L99 I118 V119 I122	L92-M96 HydrophobicContact CB-CE 4.41Å; L92-M96 HydrophobicContact CD1-CE 3.85Å; P93-M96 HydrophobicContact CG-CB 4.37Å; P93-M96 WeakPolarHBondContact O-CB 3.46Å; P93-M96 PolarHBondContact O-N 3.2Å; M96-R98 PolarHBondContact O-N 2.86Å; M96-L99 HydrophobicContact CG-CD1 3.82Å; M96-L99 WeakPolarHBondContact O-CB 3.28Å; M96-L99 PolarHBondContact O-N 3.25Å; M96-I118 HydrophobicContact CB-CG1 3.92Å; M96-I118 HydrophobicContact CE-CG1 4.47Å; M96-I118 HydrophobicContact CE-CG2 3.96Å; M96-V119 HydrophobicContact CE-CG2 3.91Å; M96-I122 HydrophobicContact CE-CD1 3.98Å; M96-I122 HydrophobicContact CG-CD1 3.9Å; M96-I122 HydrophobicContact SD-CD1 4.32Å
97	N	83.4	Confident	78.4	Confident	68 Å²	68	62.8 Å²	62.8	36%	0.364	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-66.1	-16.2	168.5	62.2	-10.9	0	0	0	114.3	D95 L99 I118 Q121	D95-N97 VanDerWaalsContact C-OD1 3.28Å; D95-N97 WeakPolarHBondContact CA-OD1 3.34Å; D95-N97 PolarHBondContact O-N 3.25Å; D95-N97 PolarHBondContact O-OD1 2.92Å; N97-L99 PolarHBondContact O-N 3.39Å; N97-I118 HydrophobicContact CB-CD1 3.82Å; N97-Q121 HydrophobicContact CB-CB 4.09Å
98	R	87.8	Confident	81.4	Confident	128 Å²	128	56.2 Å²	56.2	48%	0.483	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-66.3	-15.4	171.4	-65.3	-176.9	-170.3	-164	4	113.5	C26 D95 M96 I100	C26-R98 HydrophobicContact CB-CB 4.47Å; D95-R98 HydrophobicContact CB-CG 4.2Å; D95-R98 VanDerWaalsContact O-CB 3.28Å; D95-R98 WeakPolarHBondContact O-CB 3.41Å; D95-R98 VanDerWaalsContact O-CG 3.29Å; D95-R98 WeakPolarHBondContact O-CG 3.36Å; D95-R98 PolarHBondContact O-N 2.96Å; D95-R98 IonicContact OD1-CZ 2.69Å; D95-R98 IonicContact OD1-NE 3.52Å; D95-R98 PolarHBondContact OD1-NE 2.93Å; D95-R98 IonicContact OD1-NH2 2.95Å; D95-R98 PolarHBondContact OD1-NH2 3.43Å; M96-R98 PolarHBondContact O-N 2.86Å; R98-I100 PolarHBondContact O-N 3.37Å
99	L	89.6	Confident	84	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.258	C	S	.	.			trans	-74.9	58.7	177.4	-61.9	180	0	0	0	112	I25 L31 M96 N97 N101 L102	I25-L99 HydrophobicContact CG2-CD1 4.42Å; I25-L99 WeakPolarHBondContact O-CD2 3.38Å; L31-L99 HydrophobicContact CB-CD2 4.44Å; M96-L99 HydrophobicContact CG-CD1 3.82Å; M96-L99 WeakPolarHBondContact O-CB 3.28Å; M96-L99 PolarHBondContact O-N 3.25Å; N97-L99 PolarHBondContact O-N 3.39Å; L99-N101 PolarHBondContact O-N 2.96Å; L99-L102 HydrophobicContact CB-CB 3.92Å; L99-L102 HydrophobicContact CB-CD2 4.45Å; L99-L102 HydrophobicContact CD1-CD2 4.1Å; L99-L102 VanDerWaalsContact O-CB 3.3Å; L99-L102 WeakPolarHBondContact O-CB 2.93Å; L99-L102 PolarHBondContact O-N 2.98Å
100	I	89.4	Confident	85.9	Confident	115 Å²	115	45.4 Å²	45.4	59%	0.59	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.2	-174.3	57.7	170	0	0	0	113.7	R98 S124	R98-I100 PolarHBondContact O-N 3.37Å; I100-S124 WeakPolarHBondContact O-CB 3.24Å; I100-S124 PolarHBondContact O-OG 2.55Å
101	N	91.9	Very high	87.2	Confident	60 Å²	60	46.9 Å²	46.9	32%	0.321	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.2	178	-72.1	-58.3	0	0	0	114.7	I29 L31 Q32 L99 K103	I29-N101 WeakPolarHBondContact O-CB 3.4Å; I29-N101 PolarHBondContact O-ND2 3.12Å; L31-N101 CarbonylContact O-C 3.32Å; L31-N101 VanDerWaalsContact O-C 3.25Å; Q32-N101 WeakPolarHBondContact CA-O 3.31Å; Q32-N101 HydrophobicContact CG-CB 4.38Å; L99-N101 PolarHBondContact O-N 2.96Å; N101-K103 PolarHBondContact O-N 3.34Å; N101-K103 VanDerWaalsContact O-N 3.08Å
102	L	95.1	Very high	88	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.			trans	-71.9	104.3	-172.4	-169.9	72.7	0	0	0	112.2	L31 L34 L99 L105 I122 S124 L125	L31-L102 HydrophobicContact CD2-CD1 4.32Å; L31-L102 HydrophobicContact CG-CD1 4.12Å; L31-L102 VanDerWaalsContact O-CA 3.24Å; L31-L102 WeakPolarHBondContact O-CA 3.19Å; L31-L102 PolarHBondContact O-N 2.92Å; L34-L102 HydrophobicContact CB-CD1 3.71Å; L34-L102 HydrophobicContact CB-CD2 4.41Å; L99-L102 HydrophobicContact CB-CB 3.92Å; L99-L102 HydrophobicContact CB-CD2 4.45Å; L99-L102 HydrophobicContact CD1-CD2 4.1Å; L99-L102 VanDerWaalsContact O-CB 3.3Å; L99-L102 WeakPolarHBondContact O-CB 2.93Å; L99-L102 PolarHBondContact O-N 2.98Å; L102-L105 HydrophobicContact CD2-CB 4.2Å; L102-I122 HydrophobicContact CB-CG2 4.04Å; L102-I122 HydrophobicContact CD2-CD1 3.95Å; L102-I122 HydrophobicContact CD2-CG2 4.28Å; L102-S124 CarbonylContact O-C 3.46Å; L102-S124 PolarHBondContact O-OG 2.71Å; L102-L125 HydrophobicContact CD2-CD2 4.16Å; L102-L125 HydrophobicContact CG-CD2 4.12Å; L102-L125 WeakPolarHBondContact O-CA 3.32Å; L102-L125 WeakPolarHBondContact O-CD2 3.44Å; L102-L125 PolarHBondContact O-N 2.86Å
103	K	96.3	Very high	88.1	Confident	91 Å²	91	48.3 Å²	48.3	40%	0.396	23%	0.232	S	C	.	.			trans	-90.7	-27.1	-178.7	-69.4	167.5	-170.9	164.8	0	113.2	Q32 N101 T126 K127	Q32-K103 PolarHBondContact O-N 3.06Å; N101-K103 PolarHBondContact O-N 3.34Å; N101-K103 VanDerWaalsContact O-N 3.08Å; K103-T126 HydrophobicContact CB-CG2 4.4Å; K103-T126 HydrophobicContact CG-CG2 4.42Å; K103-T126 WeakPolarHBondContact O-CA 3.28Å; K103-T126 PolarHBondContact O-N 3.43Å; K103-T126 PolarHBondContact O-OG1 3.44Å; K103-K127 PolarHBondContact O-N 2.79Å
104	T	96.7	Very high	88.3	Confident	24 Å²	24	51.3 Å²	51.3	15%	0.147	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	123.7	179.6	-58.7	0	0	0	0	110.5	Q32 Y33 L34 K106 K127	Q32-T104 PolarHBondContact O-N 3.1Å; Y33-T104 WeakPolarHBondContact CA-O 3.46Å; Y33-T104 HydrophobicContact CD2-CG2 3.67Å; Y33-T104 HydrophobicContact CE2-CG2 3.8Å; L34-T104 PolarHBondContact N-O 3.18Å; T104-K106 HydrophobicContact CG2-CG 4.46Å; T104-K127 WeakPolarHBondContact CA-O 3.41Å; T104-K127 HydrophobicContact CG2-CB 4.18Å; T104-K127 HydrophobicContact CG2-CD 4.28Å; T104-K127 HydrophobicContact CG2-CG 4.24Å
105	L	96.3	Very high	88.6	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.6	166.6	177.2	62.9	0	0	0	108.9	L34 I36 L102 M107 V119 L125 K127 L128 D129	L34-L105 HydrophobicContact CB-CD1 4.07Å; L34-L105 HydrophobicContact CD2-CD1 3.97Å; L34-L105 HydrophobicContact CG-CD1 3.98Å; L34-L105 CarbonylContact O-C 3.42Å; L34-L105 WeakPolarHBondContact O-CA 3.14Å; I36-L105 HydrophobicContact CD1-CD1 4.35Å; I36-L105 HydrophobicContact CG1-CD1 4.35Å; L102-L105 HydrophobicContact CD2-CB 4.2Å; L105-M107 HydrophobicContact CD2-SD 3.86Å; L105-M107 HydrophobicContact CG-SD 4.28Å; L105-V119 HydrophobicContact CD2-CG1 3.92Å; L105-V119 HydrophobicContact CD2-CG2 4.33Å; L105-L125 HydrophobicContact CB-CD1 4.38Å; L105-L125 HydrophobicContact CB-CD2 3.62Å; L105-K127 PolarHBondContact N-O 2.73Å; L105-L128 HydrophobicContact CB-CD1 4.15Å; L105-L128 HydrophobicContact CD2-CD1 4.07Å; L105-L128 HydrophobicContact CG-CD1 4.22Å; L105-L128 WeakPolarHBondContact O-CA 3.49Å; L105-D129 PolarHBondContact O-N 2.57Å
106	K	95.2	Very high	88.7	Confident	53 Å²	53	40.4 Å²	40.4	23%	0.23	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.7	167.2	-64.9	164.8	156.3	-176	0	109.8	Y33 L34 D35 I36 S37 T104 D129	Y33-K106 WeakPolarHBondContact OH-CD 3.35Å; Y33-K106 WeakPolarHBondContact OH-CE 3.22Å; Y33-K106 PolarHBondContact OH-NZ 3.11Å; L34-K106 PolarHBondContact O-N 3.3Å; D35-K106 HydrophobicContact CB-CB 4.37Å; D35-K106 HydrophobicContact CB-CD 4.1Å; D35-K106 WeakPolarHBondContact OD2-CD 3.42Å; D35-K106 IonicContact OD2-NZ 2.93Å; D35-K106 PolarHBondContact OD2-NZ 3.05Å; I36-K106 WeakPolarHBondContact CG1-O 3.38Å; I36-K106 PolarHBondContact N-O 3.19Å; S37-K106 WeakPolarHBondContact OG-CB 3.43Å; T104-K106 HydrophobicContact CG2-CG 4.46Å; K106-D129 HydrophobicContact CB-CB 4.1Å; K106-D129 HydrophobicContact CG-CB 3.84Å
107	M	92.5	Very high	88.6	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.227	C	C	.	.			trans	-147.4	43.3	-178.9	60.9	-163.2	-54.5	0	0	109.8	I36 L92 L105 C110 L112 V119 D129 I130 N133	I36-M107 HydrophobicContact CD1-CB 3.84Å; I36-M107 HydrophobicContact CD1-CE 4.48Å; I36-M107 HydrophobicContact CG1-CB 3.71Å; L92-M107 HydrophobicContact CD1-CE 3.69Å; L105-M107 HydrophobicContact CD2-SD 3.86Å; L105-M107 HydrophobicContact CG-SD 4.28Å; M107-C110 VanDerWaalsContact C-SG 3.52Å; M107-C110 PolarHBondContact O-SG 3.03Å; M107-C110 VanDerWaalsContact O-SG 3.38Å; M107-L112 HydrophobicContact CE-CD1 3.61Å; M107-V119 HydrophobicContact CE-CG2 3.89Å; M107-V119 HydrophobicContact SD-CG1 4.21Å; M107-V119 HydrophobicContact SD-CG2 3.82Å; M107-D129 WeakPolarHBondContact CG-O 3.26Å; M107-D129 PolarHBondContact N-O 3.12Å; M107-I130 HydrophobicContact CG-CG2 3.8Å; M107-I130 HydrophobicContact SD-CG2 3.88Å; M107-N133 PolarHBondContact O-ND2 2.81Å
108	S	91.7	Very high	88.8	Confident	16 Å²	16	45.7 Å²	45.7	11%	0.112	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	146.9	-179.1	61.3	0	0	0	0	111.6	S37 H38 C110 S131	S37-S108 CarbonylContact C-O 3.25Å; S37-S108 WeakPolarHBondContact CA-O 3.33Å; S37-S108 WeakPolarHBondContact CB-O 3.47Å; S37-S108 WeakPolarHBondContact CB-OG 3.24Å; S37-S108 PolarHBondContact OG-N 2.94Å; S37-S108 PolarHBondContact OG-OG 3.34Å; H38-S108 PolarHBondContact N-O 3.09Å; S108-C110 PolarHBondContact O-N 3.14Å; S108-S131 CarbonylContact C-O 3.38Å; S108-S131 WeakPolarHBondContact CA-O 3.34Å; S108-S131 VanDerWaalsContact CB-O 3.3Å; S108-S131 WeakPolarHBondContact CB-O 3.34Å
109	S	89.2	Confident	89	Confident	26 Å²	26	39.6 Å²	39.6	18%	0.182	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	46.7	175.9	-25.3	0	0	0	0	112.3	H38 S131 E132	H38-S109 WeakPolarHBondContact CA-O 3.43Å; H38-S109 PolarHBondContact CE1-OG 3.05Å; H38-S109 VanDerWaalsContact CE1-OG 3.24Å; H38-S109 WeakPolarHBondContact ND1-CB 3.3Å; H38-S109 PolarHBondContact ND1-OG 3.35Å; S109-S131 PolarHBondContact N-O 3.39Å; S109-E132 WeakPolarHBondContact CA-O 3.32Å; S109-E132 WeakPolarHBondContact OG-CB 3.36Å; S109-E132 PolarHBondContact OG-OE2 3.25Å
110	C	85.5	Confident	89	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.			trans	-102.2	11.2	-176	-72.6	0	0	0	0	114.6	I36 N39 L41 M107 S108 L112 N133	I36-C110 PolarHBondContact O-SG 2.77Å; N39-C110 CarbonylContact O-C 3.54Å; N39-C110 WeakPolarHBondContact O-CA 3.44Å; L41-C110 HydrophobicContact CD1-CB 4.32Å; L41-C110 PolarHBondContact N-O 3.38Å; M107-C110 VanDerWaalsContact C-SG 3.52Å; M107-C110 PolarHBondContact O-SG 3.03Å; M107-C110 VanDerWaalsContact O-SG 3.38Å; S108-C110 PolarHBondContact O-N 3.14Å; C110-L112 HydrophobicContact CB-CD1 4.01Å; C110-L112 HydrophobicContact CB-CG 3.8Å; C110-L112 PolarHBondContact O-N 2.81Å; C110-N133 WeakPolarHBondContact CA-OD1 3.16Å; C110-N133 WeakPolarHBondContact CB-OD1 3.22Å; C110-N133 PolarHBondContact N-OD1 3.19Å
111	D	80.2	Confident	89.1	Confident	64 Å²	64	38.7 Å²	38.7	34%	0.342	19%	0.185	S	C	.	.			trans	50.1	34.5	-172.1	-163.5	34.1	0	0	0	114.3	R42 K113 N133	R42-D111 WeakPolarHBondContact CD-OD2 3.46Å; R42-D111 IonicContact CZ-OD2 2.81Å; R42-D111 IonicContact NE-OD2 3.74Å; R42-D111 IonicContact NH1-OD1 3.79Å; R42-D111 PolarHBondContact NH1-OD1 2.9Å; R42-D111 IonicContact NH1-OD2 3.71Å; R42-D111 PolarHBondContact NH1-OD2 3.32Å; D111-K113 PolarHBondContact O-N 3.26Å; D111-N133 PolarHBondContact N-OD1 3.41Å
112	L	80.4	Confident	89.1	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.016	17%	0.171	C	C	.	.			trans	-81.3	118.6	179.9	-59.7	177.4	0	0	0	110.9	L41 V90 M107 C110 F114 I115 N133 T135	L41-L112 HydrophobicContact CB-CD2 4.07Å; V90-L112 HydrophobicContact CG1-CD2 3.58Å; V90-L112 HydrophobicContact CG2-CD2 4.5Å; M107-L112 HydrophobicContact CE-CD1 3.61Å; C110-L112 HydrophobicContact CB-CD1 4.01Å; C110-L112 HydrophobicContact CB-CG 3.8Å; C110-L112 PolarHBondContact O-N 2.81Å; L112-F114 PolarHBondContact O-N 2.9Å; L112-I115 HydrophobicContact CD1-CD1 4.27Å; L112-N133 HydrophobicContact CB-CB 4.06Å; L112-N133 WeakPolarHBondContact CB-OD1 3.41Å; L112-N133 PolarHBondContact N-OD1 2.91Å; L112-N133 VanDerWaalsContact N-OD1 3.16Å; L112-T135 WeakPolarHBondContact O-CG2 3.37Å
113	K	78.5	Confident	89	Confident	102 Å²	102	41.4 Å²	41.4	44%	0.443	20%	0.199	S	C	.	.	S	Bend	trans	-65.3	-25.5	168.3	-65.8	-175.7	-166.6	161.7	0	113.2	D88 D111 T135	D88-K113 IonicContact OD1-NZ 3.16Å; D88-K113 PolarHBondContact OD1-NZ 3.43Å; D88-K113 VanDerWaalsContact OD1-NZ 3.16Å; D88-K113 IonicContact OD2-NZ 3.93Å; D88-K113 PolarHBondContact OD2-NZ 2.77Å; D111-K113 PolarHBondContact O-N 3.26Å; K113-T135 VanDerWaalsContact O-CA 3.31Å; K113-T135 WeakPolarHBondContact O-CA 3.49Å
114	F	84.1	Confident	88.9	Confident	80 Å²	80	38.1 Å²	38.1	35%	0.351	19%	0.187	S	C	.	.	S	Bend	trans	-152.5	147.3	176.9	52.6	-94.9	0	0	0	109.8	D88 V90 L112 P116	D88-F114 HydrophobicContact CB-CE1 3.82Å; D88-F114 HydrophobicContact CB-CZ 3.99Å; D88-F114 WeakPolarHBondContact O-CZ 3.44Å; V90-F114 HydrophobicContact CB-CE2 4.31Å; V90-F114 HydrophobicContact CG2-CD2 4.24Å; V90-F114 HydrophobicContact CG2-CE1 4.25Å; V90-F114 HydrophobicContact CG2-CE2 3.5Å; V90-F114 HydrophobicContact CG2-CZ 3.51Å; L112-F114 PolarHBondContact O-N 2.9Å; F114-P116 WeakPolarHBondContact O-CD 3.35Å
115	I	87	Confident	88.9	Confident	3 Å²	3	37 Å²	37	2%	0.015	18%	0.18	C	C	.	.			trans	-77.2	121.1	174.9	-53.7	-52	0	0	0	108.9	L112 K117 V119 F120 I130 N133 T135 M156	L112-I115 HydrophobicContact CD1-CD1 4.27Å; I115-K117 PolarHBondContact O-N 2.81Å; I115-V119 HydrophobicContact CG2-CB 4.12Å; I115-V119 HydrophobicContact CG2-CG1 4.25Å; I115-V119 HydrophobicContact CG2-CG2 4.13Å; I115-F120 HydrophobicContact CB-CE2 3.96Å; I115-F120 HydrophobicContact CB-CZ 3.87Å; I115-F120 HydrophobicContact CG2-CE1 4.44Å; I115-F120 HydrophobicContact CG2-CE2 3.67Å; I115-F120 HydrophobicContact CG2-CZ 3.51Å; I115-I130 HydrophobicContact CD1-CB 3.93Å; I115-I130 HydrophobicContact CD1-CG2 3.97Å; I115-I130 HydrophobicContact CG1-CB 4.28Å; I115-I130 HydrophobicContact CG1-CD1 4.28Å; I115-I130 HydrophobicContact CG1-CG2 4.2Å; I115-I130 HydrophobicContact CG2-CG2 4.16Å; I115-N133 HydrophobicContact CD1-CB 4.21Å; I115-T135 HydrophobicContact CD1-CG2 3.91Å; I115-T135 HydrophobicContact CG1-CG2 4.06Å; I115-M156 HydrophobicContact CD1-CE 4Å; I115-M156 HydrophobicContact CG1-CE 3.96Å
116	P	85	Confident	88.9	Confident	13 Å²	13	38.8 Å²	38.8	8%	0.084	19%	0.191	C	C	.	.			trans	-60.9	136.1	-176.4	-29.2	39.7	0	0	0	113	V90 L92 F114 I118 V119	V90-P116 HydrophobicContact CB-CG 3.87Å; V90-P116 HydrophobicContact CG1-CG 3.42Å; V90-P116 VanDerWaalsContact CG1-CG 3.42Å; V90-P116 HydrophobicContact CG2-CG 4.44Å; L92-P116 HydrophobicContact CD1-CB 4.06Å; L92-P116 HydrophobicContact CD1-CG 3.71Å; L92-P116 HydrophobicContact CG-CG 4.33Å; F114-P116 WeakPolarHBondContact O-CD 3.35Å; P116-I118 HydrophobicContact CB-CG2 3.91Å; P116-I118 PolarHBondContact O-N 3.3Å; P116-V119 WeakPolarHBondContact O-CB 3.4Å; P116-V119 PolarHBondContact O-N 2.91Å
117	K	85.2	Confident	89	Confident	161 Å²	161	39.7 Å²	39.7	70%	0.7	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-54.2	-28.8	-176.7	-68.7	-176.2	179.9	178.6	0	114	I115 V119 F120	I115-K117 PolarHBondContact O-N 2.81Å; K117-V119 VanDerWaalsContact C-N 3.28Å; K117-V119 PolarHBondContact O-N 3.06Å; K117-F120 PolarHBondContact O-N 3.43Å; K117-F120 VanDerWaalsContact O-N 3.16Å
118	I	87.4	Confident	89.2	Confident	21 Å²	21	39.7 Å²	39.7	11%	0.108	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-60.8	-31.3	177.4	-172.4	61.5	0	0	0	113.2	L92 K94 M96 N97 P116 F120 Q121	L92-I118 HydrophobicContact CB-CG2 4.38Å; K94-I118 WeakPolarHBondContact O-CD1 3.38Å; M96-I118 HydrophobicContact CB-CG1 3.92Å; M96-I118 HydrophobicContact CE-CG1 4.47Å; M96-I118 HydrophobicContact CE-CG2 3.96Å; N97-I118 HydrophobicContact CB-CD1 3.82Å; P116-I118 HydrophobicContact CB-CG2 3.91Å; P116-I118 PolarHBondContact O-N 3.3Å; I118-F120 PolarHBondContact O-N 3.09Å; I118-Q121 HydrophobicContact CD1-CB 4.33Å; I118-Q121 VanDerWaalsContact CD1-OE1 3.28Å; I118-Q121 WeakPolarHBondContact O-CB 3.4Å; I118-Q121 PolarHBondContact O-N 3.2Å
119	V	91.1	Very high	89.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-58.5	-39.8	175.3	173.8	0	0	0	0	110.8	L92 M96 L105 M107 I115 P116 K117 Q121 I122 L128	L92-V119 HydrophobicContact CD1-CG2 3.92Å; M96-V119 HydrophobicContact CE-CG2 3.91Å; L105-V119 HydrophobicContact CD2-CG1 3.92Å; L105-V119 HydrophobicContact CD2-CG2 4.33Å; M107-V119 HydrophobicContact CE-CG2 3.89Å; M107-V119 HydrophobicContact SD-CG1 4.21Å; M107-V119 HydrophobicContact SD-CG2 3.82Å; I115-V119 HydrophobicContact CG2-CB 4.12Å; I115-V119 HydrophobicContact CG2-CG1 4.25Å; I115-V119 HydrophobicContact CG2-CG2 4.13Å; P116-V119 WeakPolarHBondContact O-CB 3.4Å; P116-V119 PolarHBondContact O-N 2.91Å; K117-V119 VanDerWaalsContact C-N 3.28Å; K117-V119 PolarHBondContact O-N 3.06Å; V119-Q121 PolarHBondContact O-N 2.91Å; V119-I122 PolarHBondContact O-N 2.9Å; V119-L128 HydrophobicContact CG1-CD1 3.84Å; V119-L128 HydrophobicContact CG1-CD2 4.16Å
120	F	91.3	Very high	89.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-82.4	10.4	179.1	-49.4	-67.7	0	0	0	113.7	I115 K117 I118 L128 I138 P139 A141 I142 N144 L145	I115-F120 HydrophobicContact CB-CE2 3.96Å; I115-F120 HydrophobicContact CB-CZ 3.87Å; I115-F120 HydrophobicContact CG2-CE1 4.44Å; I115-F120 HydrophobicContact CG2-CE2 3.67Å; I115-F120 HydrophobicContact CG2-CZ 3.51Å; K117-F120 PolarHBondContact O-N 3.43Å; K117-F120 VanDerWaalsContact O-N 3.16Å; I118-F120 PolarHBondContact O-N 3.09Å; F120-L128 HydrophobicContact CE1-CD2 4.17Å; F120-I138 HydrophobicContact CZ-CG2 4.41Å; F120-P139 HydrophobicContact CD2-CB 4.46Å; F120-P139 HydrophobicContact CE2-CB 4.09Å; F120-P139 HydrophobicContact CE2-CG 3.79Å; F120-P139 HydrophobicContact CZ-CG 4.4Å; F120-A141 HydrophobicContact CB-CB 3.71Å; F120-A141 WeakPolarHBondContact CB-O 3.33Å; F120-A141 HydrophobicContact CD2-CB 4.05Å; F120-A141 HydrophobicContact CG-CB 4.05Å; F120-I142 HydrophobicContact CD1-CB 4.22Å; F120-I142 HydrophobicContact CD1-CD1 3.9Å; F120-I142 HydrophobicContact CE1-CB 4.22Å; F120-I142 HydrophobicContact CE1-CD1 3.66Å; F120-N144 WeakPolarHBondContact O-CB 3.3Å; F120-N144 PolarHBondContact O-ND2 3.16Å; F120-L145 HydrophobicContact CD1-CD1 4.11Å
121	Q	90.6	Very high	90	Very high	95 Å²	95	38.9 Å²	38.9	44%	0.444	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-104.7	-7.7	170.7	-62.1	-178.3	-6.7	0	0	112.4	N97 I118 V119 I123	N97-Q121 HydrophobicContact CB-CB 4.09Å; I118-Q121 HydrophobicContact CD1-CB 4.33Å; I118-Q121 VanDerWaalsContact CD1-OE1 3.28Å; I118-Q121 WeakPolarHBondContact O-CB 3.4Å; I118-Q121 PolarHBondContact O-N 3.2Å; V119-Q121 PolarHBondContact O-N 2.91Å; Q121-I123 VanDerWaalsContact C-N 3.27Å; Q121-I123 PolarHBondContact O-N 3.02Å
122	I	92.4	Very high	90.5	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	19%	0.188	C	C	.	.			trans	-82	75.1	176	-47	178.7	0	0	0	109.1	M96 L102 V119 S124 L125 L145	M96-I122 HydrophobicContact CE-CD1 3.98Å; M96-I122 HydrophobicContact CG-CD1 3.9Å; M96-I122 HydrophobicContact SD-CD1 4.32Å; L102-I122 HydrophobicContact CB-CG2 4.04Å; L102-I122 HydrophobicContact CD2-CD1 3.95Å; L102-I122 HydrophobicContact CD2-CG2 4.28Å; V119-I122 PolarHBondContact O-N 2.9Å; I122-S124 PolarHBondContact O-N 3.26Å; I122-L125 HydrophobicContact CB-CD1 3.87Å; I122-L125 HydrophobicContact CB-CG 3.94Å; I122-L125 HydrophobicContact CG2-CD1 4.31Å; I122-L125 HydrophobicContact CG2-CD2 4.48Å; I122-L125 HydrophobicContact CG2-CG 3.85Å; I122-L125 WeakPolarHBondContact O-CB 3.32Å; I122-L125 WeakPolarHBondContact O-CG 3.47Å; I122-L125 PolarHBondContact O-N 2.61Å; I122-L145 VanDerWaalsContact O-CD2 3.27Å; I122-L145 WeakPolarHBondContact O-CD2 3.02Å
123	I	92.5	Very high	90.7	Very high	116 Å²	116	39.1 Å²	39.1	60%	0.595	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-17.8	-171.8	58.5	172.7	0	0	0	115.1	Q121 L125	Q121-I123 VanDerWaalsContact C-N 3.27Å; Q121-I123 PolarHBondContact O-N 3.02Å; I123-L125 VanDerWaalsContact C-N 3.35Å
124	S	93.7	Very high	90.7	Very high	22 Å²	22	43.1 Å²	43.1	15%	0.154	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.4	177.7	47.3	0	0	0	0	114.8	I100 L102 I122 T126	I100-S124 WeakPolarHBondContact O-CB 3.24Å; I100-S124 PolarHBondContact O-OG 2.55Å; L102-S124 CarbonylContact O-C 3.46Å; L102-S124 PolarHBondContact O-OG 2.71Å; I122-S124 PolarHBondContact O-N 3.26Å; S124-T126 PolarHBondContact O-N 2.97Å
125	L	96.5	Very high	90.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.186	C	C	.	.			trans	-61.8	122.5	-178.9	-76.4	173.8	0	0	0	112.3	L102 L105 I122 I123 L128 L145 E147 L148	L102-L125 HydrophobicContact CD2-CD2 4.16Å; L102-L125 HydrophobicContact CG-CD2 4.12Å; L102-L125 WeakPolarHBondContact O-CA 3.32Å; L102-L125 WeakPolarHBondContact O-CD2 3.44Å; L102-L125 PolarHBondContact O-N 2.86Å; L105-L125 HydrophobicContact CB-CD1 4.38Å; L105-L125 HydrophobicContact CB-CD2 3.62Å; I122-L125 HydrophobicContact CB-CD1 3.87Å; I122-L125 HydrophobicContact CB-CG 3.94Å; I122-L125 HydrophobicContact CG2-CD1 4.31Å; I122-L125 HydrophobicContact CG2-CD2 4.48Å; I122-L125 HydrophobicContact CG2-CG 3.85Å; I122-L125 WeakPolarHBondContact O-CB 3.32Å; I122-L125 WeakPolarHBondContact O-CG 3.47Å; I122-L125 PolarHBondContact O-N 2.61Å; I123-L125 VanDerWaalsContact C-N 3.35Å; L125-L128 HydrophobicContact CD1-CD1 4.4Å; L125-L145 HydrophobicContact CB-CD1 4.46Å; L125-L145 HydrophobicContact CB-CD2 4.46Å; L125-L145 HydrophobicContact CD1-CD1 4.16Å; L125-L145 HydrophobicContact CD1-CD2 4.39Å; L125-E147 CarbonylContact O-C 3.37Å; L125-L148 VanDerWaalsContact O-CA 3.3Å; L125-L148 WeakPolarHBondContact O-CA 3.46Å; L125-L148 PolarHBondContact O-N 2.95Å
126	T	97.1	Very high	90.2	Very high	37 Å²	37	44.7 Å²	44.7	23%	0.227	21%	0.212	C	C	.	.	S	Bend	trans	-102.7	-24.2	173	68.7	0	0	0	0	112.6	K103 S124 E147 R149 C150	K103-T126 HydrophobicContact CB-CG2 4.4Å; K103-T126 HydrophobicContact CG-CG2 4.42Å; K103-T126 WeakPolarHBondContact O-CA 3.28Å; K103-T126 PolarHBondContact O-N 3.43Å; K103-T126 PolarHBondContact O-OG1 3.44Å; S124-T126 PolarHBondContact O-N 2.97Å; T126-E147 HydrophobicContact CG2-CB 4.32Å; T126-R149 WeakPolarHBondContact O-CA 3.05Å; T126-R149 WeakPolarHBondContact O-CB 3.38Å; T126-R149 PolarHBondContact O-N 2.95Å; T126-C150 PolarHBondContact O-N 3.15Å
127	K	97.6	Very high	90.4	Very high	72 Å²	72	50.5 Å²	50.5	31%	0.313	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	127.9	175.2	-179.2	169.6	-177.1	177.5	0	110.1	K103 T104 L105 C150	K103-K127 PolarHBondContact O-N 2.79Å; T104-K127 WeakPolarHBondContact CA-O 3.41Å; T104-K127 HydrophobicContact CG2-CB 4.18Å; T104-K127 HydrophobicContact CG2-CD 4.28Å; T104-K127 HydrophobicContact CG2-CG 4.24Å; L105-K127 PolarHBondContact N-O 2.73Å; K127-C150 WeakPolarHBondContact CA-O 3.42Å; K127-C150 HydrophobicContact CB-CB 4.16Å; K127-C150 HydrophobicContact CD-CB 4.36Å; K127-C150 HydrophobicContact CG-CB 3.92Å
128	L	97.3	Very high	90.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.1	176	179.5	60.7	0	0	0	109.3	L105 V119 F120 L125 I130 I142 L145 L148 C150 L151 L152	L105-L128 HydrophobicContact CB-CD1 4.15Å; L105-L128 HydrophobicContact CD2-CD1 4.07Å; L105-L128 HydrophobicContact CG-CD1 4.22Å; L105-L128 WeakPolarHBondContact O-CA 3.49Å; V119-L128 HydrophobicContact CG1-CD1 3.84Å; V119-L128 HydrophobicContact CG1-CD2 4.16Å; F120-L128 HydrophobicContact CE1-CD2 4.17Å; L125-L128 HydrophobicContact CD1-CD1 4.4Å; L128-I130 HydrophobicContact CD1-CG2 3.86Å; L128-I130 HydrophobicContact CD2-CG2 4.18Å; L128-I130 HydrophobicContact CG-CG2 3.9Å; L128-I142 HydrophobicContact CD2-CD1 4.35Å; L128-L145 HydrophobicContact CD2-CD1 3.98Å; L128-L148 HydrophobicContact CB-CD1 3.86Å; L128-C150 PolarHBondContact N-O 3.05Å; L128-L151 HydrophobicContact CB-CD1 4.33Å; L128-L151 HydrophobicContact CD2-CD1 4.22Å; L128-L151 HydrophobicContact CG-CD1 4.36Å; L128-L152 PolarHBondContact O-N 3.05Å
129	D	96.2	Very high	90.8	Very high	19 Å²	19	43.5 Å²	43.5	10%	0.102	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	113.4	170.4	-161.4	-18.3	0	0	0	110.3	L105 K106 M107 S131 L152	L105-D129 PolarHBondContact O-N 2.57Å; K106-D129 HydrophobicContact CB-CB 4.1Å; K106-D129 HydrophobicContact CG-CB 3.84Å; M107-D129 WeakPolarHBondContact CG-O 3.26Å; M107-D129 PolarHBondContact N-O 3.12Å; D129-S131 WeakPolarHBondContact OD1-CB 3.42Å; D129-S131 PolarHBondContact OD1-N 3.11Å; D129-S131 VanDerWaalsContact OD1-N 3.15Å; D129-S131 PolarHBondContact OD1-OG 3.38Å; D129-L152 WeakPolarHBondContact CA-O 3.13Å; D129-L152 HydrophobicContact CB-CB 4.02Å; D129-L152 HydrophobicContact CB-CD1 4.2Å; D129-L152 VanDerWaalsContact CG-CB 3.5Å; D129-L152 WeakPolarHBondContact OD1-CB 3.34Å; D129-L152 VanDerWaalsContact OD2-CD1 3.24Å; D129-L152 WeakPolarHBondContact OD2-CD1 3.42Å
130	I	94.4	Very high	90.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.			trans	-120.2	13.5	-178.3	48.6	171.5	0	0	0	111.4	M107 I115 L128 N133 I138 L151 L152 A153 M156	M107-I130 HydrophobicContact CG-CG2 3.8Å; M107-I130 HydrophobicContact SD-CG2 3.88Å; I115-I130 HydrophobicContact CD1-CB 3.93Å; I115-I130 HydrophobicContact CD1-CG2 3.97Å; I115-I130 HydrophobicContact CG1-CB 4.28Å; I115-I130 HydrophobicContact CG1-CD1 4.28Å; I115-I130 HydrophobicContact CG1-CG2 4.2Å; I115-I130 HydrophobicContact CG2-CG2 4.16Å; L128-I130 HydrophobicContact CD1-CG2 3.86Å; L128-I130 HydrophobicContact CD2-CG2 4.18Å; L128-I130 HydrophobicContact CG-CG2 3.9Å; I130-N133 PolarHBondContact O-ND2 2.85Å; I130-I138 HydrophobicContact CD1-CD1 3.88Å; I130-I138 HydrophobicContact CD1-CG1 4.1Å; I130-L151 HydrophobicContact CD1-CD1 4.15Å; I130-L151 HydrophobicContact CG1-CD1 4.33Å; I130-L152 WeakPolarHBondContact CG1-O 3.28Å; I130-L152 PolarHBondContact N-O 3.1Å; I130-A153 HydrophobicContact CD1-CB 4.22Å; I130-A153 HydrophobicContact CG1-CB 4.09Å; I130-M156 HydrophobicContact CB-CE 4.23Å; I130-M156 HydrophobicContact CB-SD 4.25Å; I130-M156 HydrophobicContact CD1-CE 3.89Å; I130-M156 HydrophobicContact CD1-SD 3.7Å; I130-M156 HydrophobicContact CG1-CE 4.14Å; I130-M156 HydrophobicContact CG1-SD 3.68Å
131	S	92.9	Very high	90.9	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.042	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	155.4	-174.7	-55.7	0	0	0	0	113.7	S108 S109 D129 N133 K154	S108-S131 CarbonylContact C-O 3.38Å; S108-S131 WeakPolarHBondContact CA-O 3.34Å; S108-S131 VanDerWaalsContact CB-O 3.3Å; S108-S131 WeakPolarHBondContact CB-O 3.34Å; S109-S131 PolarHBondContact N-O 3.39Å; D129-S131 WeakPolarHBondContact OD1-CB 3.42Å; D129-S131 PolarHBondContact OD1-N 3.11Å; D129-S131 VanDerWaalsContact OD1-N 3.15Å; D129-S131 PolarHBondContact OD1-OG 3.38Å; S131-N133 PolarHBondContact O-N 2.64Å; S131-N133 PolarHBondContact O-ND2 3.2Å; S131-K154 CarbonylContact C-O 3.39Å; S131-K154 VanDerWaalsContact CA-O 3.26Å; S131-K154 WeakPolarHBondContact CA-O 3.17Å; S131-K154 PolarHBondContact OG-N 3.1Å; S131-K154 VanDerWaalsContact OG-N 3.1Å
132	E	89.1	Confident	91.1	Very high	73 Å²	73	44.3 Å²	44.3	34%	0.341	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	28.3	174.7	-60.5	-179.3	-175.8	0	0	114.3	S109 K154 R155	S109-E132 WeakPolarHBondContact CA-O 3.32Å; S109-E132 WeakPolarHBondContact OG-CB 3.36Å; S109-E132 PolarHBondContact OG-OE2 3.25Å; E132-K154 PolarHBondContact N-O 3.26Å; E132-R155 HydrophobicContact CG-CB 3.97Å; E132-R155 IonicContact OE1-NH1 2.74Å
133	N	85.5	Confident	91	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.			trans	-113.7	109.8	164.2	-63	-74.1	0	0	0	107.1	M107 C110 D111 L112 I115 I130 S131 T135 M156	M107-N133 PolarHBondContact O-ND2 2.81Å; C110-N133 WeakPolarHBondContact CA-OD1 3.16Å; C110-N133 WeakPolarHBondContact CB-OD1 3.22Å; C110-N133 PolarHBondContact N-OD1 3.19Å; D111-N133 PolarHBondContact N-OD1 3.41Å; L112-N133 HydrophobicContact CB-CB 4.06Å; L112-N133 WeakPolarHBondContact CB-OD1 3.41Å; L112-N133 PolarHBondContact N-OD1 2.91Å; L112-N133 VanDerWaalsContact N-OD1 3.16Å; I115-N133 HydrophobicContact CD1-CB 4.21Å; I130-N133 PolarHBondContact O-ND2 2.85Å; S131-N133 PolarHBondContact O-N 2.64Å; S131-N133 PolarHBondContact O-ND2 3.2Å; N133-T135 HydrophobicContact CB-CG2 4.09Å; N133-T135 PolarHBondContact O-N 2.94Å; N133-M156 WeakPolarHBondContact O-CA 3.21Å; N133-M156 WeakPolarHBondContact O-CG 3.38Å
134	W	77.6	Confident	91.1	Very high	186 Å²	186	42.7 Å²	42.7	71%	0.705	22%	0.217	S	C	*	.			trans	-74.4	62.4	-173.6	-64.9	-54.7	0	0	0	113.1	R155 M156	W134-R155 PolarHBondContact NE1-O 3.16Å; W134-M156 CarbonylContact C-O 3.54Å
135	T	80.3	Confident	91.2	Very high	10 Å²	10	41.6 Å²	41.6	6%	0.061	21%	0.209	C	C	.	.			trans	-80.9	-14.5	-175.1	69.7	0	0	0	0	114.4	L112 K113 I115 N133 E137 M156	L112-T135 WeakPolarHBondContact O-CG2 3.37Å; K113-T135 VanDerWaalsContact O-CA 3.31Å; K113-T135 WeakPolarHBondContact O-CA 3.49Å; I115-T135 HydrophobicContact CD1-CG2 3.91Å; I115-T135 HydrophobicContact CG1-CG2 4.06Å; N133-T135 HydrophobicContact CB-CG2 4.09Å; N133-T135 PolarHBondContact O-N 2.94Å; T135-E137 PolarHBondContact O-N 3.41Å; T135-E137 PolarHBondContact OG1-O 3.06Å; T135-M156 HydrophobicContact CG2-CE 3.92Å; T135-M156 PolarHBondContact N-O 3.3Å; T135-M156 VanDerWaalsContact OG1-CE 3.26Å; T135-M156 WeakPolarHBondContact OG1-CE 3.11Å
136	N	81.1	Confident	91	Very high	105 Å²	105	46.2 Å²	46.2	56%	0.561	23%	0.234	S	C	*	.	S	Bend	trans	61.7	-21.4	-174.1	-51.8	-54.5	0	0	0	116	M156	N136-M156 PolarHBondContact N-O 3.19Å
137	E	88.2	Confident	90.9	Very high	136 Å²	136	47.5 Å²	47.5	64%	0.636	24%	0.237	S	C	*	.			trans	-138.9	153.4	174.4	60.2	171.3	-145.7	0	0	113.4	T135	T135-E137 PolarHBondContact O-N 3.41Å; T135-E137 PolarHBondContact OG1-O 3.06Å
138	I	90.8	Very high	90.9	Very high	9 Å²	9	44 Å²	44	5%	0.046	22%	0.222	C	C	.	.			trans	-102.1	124.9	163.2	-67.8	177.9	0	0	0	107.4	F120 I130 I142 L151 A153 L158 L161 P162	F120-I138 HydrophobicContact CZ-CG2 4.41Å; I130-I138 HydrophobicContact CD1-CD1 3.88Å; I130-I138 HydrophobicContact CD1-CG1 4.1Å; I138-I142 HydrophobicContact CG2-CB 3.86Å; I138-I142 HydrophobicContact CG2-CD1 4.45Å; I138-I142 HydrophobicContact CG2-CG1 4.22Å; I138-I142 HydrophobicContact CG2-CG2 4.11Å; I138-L151 HydrophobicContact CD1-CD2 4.31Å; I138-A153 HydrophobicContact CD1-CB 4.01Å; I138-L158 HydrophobicContact CD1-CD1 3.8Å; I138-L158 HydrophobicContact CG1-CD1 4.05Å; I138-L158 HydrophobicContact CG1-CD2 3.9Å; I138-L161 HydrophobicContact CD1-CD2 3.82Å; I138-P162 HydrophobicContact CB-CG 4.45Å; I138-P162 HydrophobicContact CG2-CG 4.33Å; I138-P162 WeakPolarHBondContact O-CG 3.18Å
139	P	91	Very high	90.9	Very high	26 Å²	26	48.9 Å²	48.9	17%	0.169	24%	0.24	C	C	.	.			trans	-58.3	146.4	178.5	-28.3	36.6	0	0	0	113.6	F120 A141 I142	F120-P139 HydrophobicContact CD2-CB 4.46Å; F120-P139 HydrophobicContact CE2-CB 4.09Å; F120-P139 HydrophobicContact CE2-CG 3.79Å; F120-P139 HydrophobicContact CZ-CG 4.4Å; P139-A141 HydrophobicContact CB-CB 4.46Å; P139-A141 PolarHBondContact O-N 2.78Å; P139-I142 WeakPolarHBondContact O-CG2 3.47Å; P139-I142 PolarHBondContact O-N 3.14Å
140	T	91.7	Very high	90.9	Very high	87 Å²	87	49 Å²	49	53%	0.534	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-55.1	-22.9	175.7	57.6	0	0	0	0	113.7	I142 G143 P162 Q164	T140-I142 PolarHBondContact O-N 3.18Å; T140-I142 VanDerWaalsContact O-N 3.1Å; T140-G143 PolarHBondContact O-N 3.01Å; T140-P162 HydrophobicContact CG2-CB 4.23Å; T140-Q164 VanDerWaalsContact CG2-OE1 3.26Å; T140-Q164 VanDerWaalsContact O-CB 3.23Å; T140-Q164 WeakPolarHBondContact O-CB 3.21Å
141	A	93	Very high	91	Very high	23 Å²	23	49 Å²	49	19%	0.19	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-57.6	-17.9	173.2	0	0	0	0	0	114.1	F120 P139 G143 N144	F120-A141 HydrophobicContact CB-CB 3.71Å; F120-A141 WeakPolarHBondContact CB-O 3.33Å; F120-A141 HydrophobicContact CD2-CB 4.05Å; F120-A141 HydrophobicContact CG-CB 4.05Å; P139-A141 HydrophobicContact CB-CB 4.46Å; P139-A141 PolarHBondContact O-N 2.78Å; A141-G143 PolarHBondContact O-N 3.28Å; A141-N144 VanDerWaalsContact O-CB 3.27Å; A141-N144 WeakPolarHBondContact O-CB 3.43Å; A141-N144 VanDerWaalsContact O-CG 3.26Å; A141-N144 PolarHBondContact O-N 3.27Å; A141-N144 PolarHBondContact O-ND2 3.3Å
142	I	94.1	Very high	91.1	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-48.2	-34.7	172.2	-172.7	69	0	0	0	112.4	F120 L128 I138 P139 T140 N144 L145 L148 L151 P162 I165 C168	F120-I142 HydrophobicContact CD1-CB 4.22Å; F120-I142 HydrophobicContact CD1-CD1 3.9Å; F120-I142 HydrophobicContact CE1-CB 4.22Å; F120-I142 HydrophobicContact CE1-CD1 3.66Å; L128-I142 HydrophobicContact CD2-CD1 4.35Å; I138-I142 HydrophobicContact CG2-CB 3.86Å; I138-I142 HydrophobicContact CG2-CD1 4.45Å; I138-I142 HydrophobicContact CG2-CG1 4.22Å; I138-I142 HydrophobicContact CG2-CG2 4.11Å; P139-I142 WeakPolarHBondContact O-CG2 3.47Å; P139-I142 PolarHBondContact O-N 3.14Å; T140-I142 PolarHBondContact O-N 3.18Å; T140-I142 VanDerWaalsContact O-N 3.1Å; I142-N144 PolarHBondContact O-N 3.03Å; I142-L145 HydrophobicContact CD1-CD1 4.11Å; I142-L145 PolarHBondContact O-N 2.65Å; I142-L148 HydrophobicContact CD1-CD2 4.02Å; I142-L151 HydrophobicContact CD1-CD1 4.48Å; I142-P162 HydrophobicContact CG2-CG 3.63Å; I142-I165 HydrophobicContact CG2-CB 4.37Å; I142-C168 PolarHBondContact O-SG 2.95Å
143	G	91.7	Very high	91.4	Very high	3 Å²	3	46.3 Å²	46.3	3%	0.031	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-63.9	-7.4	178.8	0	0	0	0	0	115.8	T140 A141 Q164 N167	T140-G143 PolarHBondContact O-N 3.01Å; A141-G143 PolarHBondContact O-N 3.28Å; G143-Q164 WeakPolarHBondContact CA-O 3.45Å; G143-N167 WeakPolarHBondContact O-CB 3.38Å
144	N	93.4	Very high	91.6	Very high	81 Å²	81	49.9 Å²	49.9	43%	0.433	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-76.7	-21.6	171.6	-63.8	-12	0	0	0	112.8	F120 A141 I142 L146	F120-N144 WeakPolarHBondContact O-CB 3.3Å; F120-N144 PolarHBondContact O-ND2 3.16Å; A141-N144 VanDerWaalsContact O-CB 3.27Å; A141-N144 WeakPolarHBondContact O-CB 3.43Å; A141-N144 VanDerWaalsContact O-CG 3.26Å; A141-N144 PolarHBondContact O-N 3.27Å; A141-N144 PolarHBondContact O-ND2 3.3Å; I142-N144 PolarHBondContact O-N 3.03Å; N144-L146 VanDerWaalsContact C-N 3.25Å; N144-L146 PolarHBondContact O-N 2.93Å
145	L	95.1	Very high	92.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.			trans	-82.4	69.6	-175.6	-58	-172.5	0	0	0	110.7	F120 I122 L125 L128 I142 E147 L148 C168	F120-L145 HydrophobicContact CD1-CD1 4.11Å; I122-L145 VanDerWaalsContact O-CD2 3.27Å; I122-L145 WeakPolarHBondContact O-CD2 3.02Å; L125-L145 HydrophobicContact CB-CD1 4.46Å; L125-L145 HydrophobicContact CB-CD2 4.46Å; L125-L145 HydrophobicContact CD1-CD1 4.16Å; L125-L145 HydrophobicContact CD1-CD2 4.39Å; L128-L145 HydrophobicContact CD2-CD1 3.98Å; I142-L145 HydrophobicContact CD1-CD1 4.11Å; I142-L145 PolarHBondContact O-N 2.65Å; L145-E147 PolarHBondContact O-N 3.38Å; L145-L148 HydrophobicContact CB-CB 3.95Å; L145-L148 HydrophobicContact CB-CD2 4.34Å; L145-L148 HydrophobicContact CD1-CD1 4.48Å; L145-L148 HydrophobicContact CD1-CD2 4.34Å; L145-L148 WeakPolarHBondContact O-CB 3.35Å; L145-L148 PolarHBondContact O-N 3.11Å; L145-L148 VanDerWaalsContact O-N 3.08Å; L145-C168 PolarHBondContact O-SG 3.04Å
146	L	93.7	Very high	92.5	Very high	97 Å²	97	44.6 Å²	44.6	51%	0.508	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.5	-173.6	-58.6	-178.8	0	0	0	113.3	N144 L148 N167 K170	N144-L146 VanDerWaalsContact C-N 3.25Å; N144-L146 PolarHBondContact O-N 2.93Å; L146-L148 VanDerWaalsContact C-N 3.34Å; L146-N167 HydrophobicContact CD2-CB 4.32Å; L146-K170 WeakPolarHBondContact O-CD 3.11Å
147	E	95.1	Very high	92.5	Very high	63 Å²	63	40.4 Å²	40.4	29%	0.294	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-6.2	176.5	-67.9	-49.6	125.8	0	0	114.8	L125 T126 L145 R149 K170	L125-E147 CarbonylContact O-C 3.37Å; T126-E147 HydrophobicContact CG2-CB 4.32Å; L145-E147 PolarHBondContact O-N 3.38Å; E147-R149 VanDerWaalsContact O-CG 3.28Å; E147-R149 WeakPolarHBondContact O-CG 3.32Å; E147-R149 PolarHBondContact O-N 3.03Å; E147-K170 IonicContact OE1-NZ 3.9Å; E147-K170 PolarHBondContact OE1-NZ 2.92Å; E147-K170 WeakPolarHBondContact OE2-CD 3.23Å; E147-K170 IonicContact OE2-NZ 2.86Å; E147-K170 PolarHBondContact OE2-NZ 2.99Å
148	L	96.8	Very high	92.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.			trans	-62.7	126.2	-171.4	-165.1	67.9	0	0	0	111.7	L125 L128 I142 L145 L146 L151 C168 K170 L171	L125-L148 VanDerWaalsContact O-CA 3.3Å; L125-L148 WeakPolarHBondContact O-CA 3.46Å; L125-L148 PolarHBondContact O-N 2.95Å; L128-L148 HydrophobicContact CB-CD1 3.86Å; I142-L148 HydrophobicContact CD1-CD2 4.02Å; L145-L148 HydrophobicContact CB-CB 3.95Å; L145-L148 HydrophobicContact CB-CD2 4.34Å; L145-L148 HydrophobicContact CD1-CD1 4.48Å; L145-L148 HydrophobicContact CD1-CD2 4.34Å; L145-L148 WeakPolarHBondContact O-CB 3.35Å; L145-L148 PolarHBondContact O-N 3.11Å; L145-L148 VanDerWaalsContact O-N 3.08Å; L146-L148 VanDerWaalsContact C-N 3.34Å; L148-L151 HydrophobicContact CD2-CB 4.31Å; L148-C168 HydrophobicContact CB-CB 4.36Å; L148-K170 CarbonylContact O-C 3.51Å; L148-L171 HydrophobicContact CB-CD2 4.36Å; L148-L171 HydrophobicContact CD2-CD2 3.99Å; L148-L171 HydrophobicContact CG-CD2 3.87Å; L148-L171 WeakPolarHBondContact O-CA 3.41Å; L148-L171 PolarHBondContact O-N 3.09Å
149	R	96.6	Very high	91.9	Very high	102 Å²	102	36.1 Å²	36.1	39%	0.385	19%	0.191	S	C	.	.			trans	-114.9	-27.5	-179.5	-51.8	-171.1	-176.7	-168.9	-0.8	112.5	T126 E147 K170 R172 T173	T126-R149 WeakPolarHBondContact O-CA 3.05Å; T126-R149 WeakPolarHBondContact O-CB 3.38Å; T126-R149 PolarHBondContact O-N 2.95Å; E147-R149 VanDerWaalsContact O-CG 3.28Å; E147-R149 WeakPolarHBondContact O-CG 3.32Å; E147-R149 PolarHBondContact O-N 3.03Å; R149-K170 HydrophobicContact CG-CB 4.45Å; R149-R172 WeakPolarHBondContact O-CA 3.44Å; R149-R172 PolarHBondContact O-N 3.21Å; R149-T173 PolarHBondContact O-N 2.97Å
150	C	97	Very high	91.7	Very high	22 Å²	22	37.3 Å²	37.3	15%	0.149	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	120.1	-175.8	-174.7	0	0	0	0	109.6	T126 K127 L128 T173	T126-C150 PolarHBondContact O-N 3.15Å; K127-C150 WeakPolarHBondContact CA-O 3.42Å; K127-C150 HydrophobicContact CB-CB 4.16Å; K127-C150 HydrophobicContact CD-CB 4.36Å; K127-C150 HydrophobicContact CG-CB 3.92Å; L128-C150 PolarHBondContact N-O 3.05Å; C150-T173 WeakPolarHBondContact CA-O 3.45Å
151	L	96.9	Very high	91.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.9	172.9	178.4	62.2	0	0	0	109.1	L128 I130 I138 I142 L148 A153 I165 L171 T173 I174 N175	L128-L151 HydrophobicContact CB-CD1 4.33Å; L128-L151 HydrophobicContact CD2-CD1 4.22Å; L128-L151 HydrophobicContact CG-CD1 4.36Å; I130-L151 HydrophobicContact CD1-CD1 4.15Å; I130-L151 HydrophobicContact CG1-CD1 4.33Å; I138-L151 HydrophobicContact CD1-CD2 4.31Å; I142-L151 HydrophobicContact CD1-CD1 4.48Å; L148-L151 HydrophobicContact CD2-CB 4.31Å; L151-A153 HydrophobicContact CG-CB 4.35Å; L151-I165 HydrophobicContact CD2-CD1 3.98Å; L151-L171 HydrophobicContact CB-CD2 4.21Å; L151-T173 PolarHBondContact N-O 3.42Å; L151-I174 WeakPolarHBondContact O-CA 3.48Å; L151-N175 PolarHBondContact O-N 2.79Å
152	L	95.5	Very high	91.6	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.115	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	115.3	172.7	-54.5	178.1	0	0	0	107.7	L128 D129 I130 N175	L128-L152 PolarHBondContact O-N 3.05Å; D129-L152 WeakPolarHBondContact CA-O 3.13Å; D129-L152 HydrophobicContact CB-CB 4.02Å; D129-L152 HydrophobicContact CB-CD1 4.2Å; D129-L152 VanDerWaalsContact CG-CB 3.5Å; D129-L152 WeakPolarHBondContact OD1-CB 3.34Å; D129-L152 VanDerWaalsContact OD2-CD1 3.24Å; D129-L152 WeakPolarHBondContact OD2-CD1 3.42Å; I130-L152 WeakPolarHBondContact CG1-O 3.28Å; I130-L152 PolarHBondContact N-O 3.1Å; L152-N175 HydrophobicContact CD2-CB 3.56Å
153	A	93.6	Very high	91.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.			trans	-139.8	48.9	-172	0	0	0	0	0	109.5	I130 I138 L151 M156 L158 N175 L176 N179	I130-A153 HydrophobicContact CD1-CB 4.22Å; I130-A153 HydrophobicContact CG1-CB 4.09Å; I138-A153 HydrophobicContact CD1-CB 4.01Å; L151-A153 HydrophobicContact CG-CB 4.35Å; A153-M156 HydrophobicContact CB-SD 3.57Å; A153-M156 VanDerWaalsContact CB-SD 3.57Å; A153-L158 HydrophobicContact CB-CD1 4.19Å; A153-N175 CarbonylContact C-O 3.33Å; A153-N175 PolarHBondContact N-O 3.06Å; A153-L176 HydrophobicContact CB-CD2 4.07Å; A153-N179 PolarHBondContact O-ND2 2.93Å
154	K	90.9	Very high	91.6	Very high	75 Å²	75	39.8 Å²	39.8	33%	0.326	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	151.1	-175.6	-50.9	-180	-178	175.8	0	111.3	S131 E132 M156 N175 Y177	S131-K154 CarbonylContact C-O 3.39Å; S131-K154 VanDerWaalsContact CA-O 3.26Å; S131-K154 WeakPolarHBondContact CA-O 3.17Å; S131-K154 PolarHBondContact OG-N 3.1Å; S131-K154 VanDerWaalsContact OG-N 3.1Å; E132-K154 PolarHBondContact N-O 3.26Å; K154-M156 WeakPolarHBondContact O-CG 3.13Å; K154-M156 PolarHBondContact O-N 2.81Å; K154-M156 VanDerWaalsContact O-N 3.14Å; K154-N175 WeakPolarHBondContact CE-OD1 3.36Å; K154-N175 WeakPolarHBondContact CG-OD1 3.49Å; K154-Y177 CarbonylContact C-O 3.33Å; K154-Y177 WeakPolarHBondContact CA-O 3.27Å; K154-Y177 VanDerWaalsContact CB-O 3.27Å; K154-Y177 WeakPolarHBondContact CB-O 3.33Å
155	R	87.2	Confident	91.5	Very high	85 Å²	85	36 Å²	36	32%	0.321	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	41.2	171.2	-66.4	178.5	167.5	-177.1	-7.2	113.4	E132 W134 Y177 G178 D1284	E132-R155 HydrophobicContact CG-CB 3.97Å; E132-R155 IonicContact OE1-NH1 2.74Å; W134-R155 PolarHBondContact NE1-O 3.16Å; R155-Y177 PolarHBondContact N-O 3.08Å; R155-G178 WeakPolarHBondContact CA-O 3.29Å; R155-D1284 IonicContact CZ-OD2 2.71Å; R155-D1284 IonicContact NH1-OD2 3.7Å; R155-D1284 PolarHBondContact NH1-OD2 3.04Å; R155-D1284 IonicContact NH2-OD2 3.59Å; R155-D1284 PolarHBondContact NH2-OD2 3.27Å
156	M	88.5	Confident	91.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-101.2	-7.4	-176.6	-72.1	-166.6	80.4	0	0	114.1	I115 I130 N133 W134 T135 N136 A153 K154 L158 N179	I115-M156 HydrophobicContact CD1-CE 4Å; I115-M156 HydrophobicContact CG1-CE 3.96Å; I130-M156 HydrophobicContact CB-CE 4.23Å; I130-M156 HydrophobicContact CB-SD 4.25Å; I130-M156 HydrophobicContact CD1-CE 3.89Å; I130-M156 HydrophobicContact CD1-SD 3.7Å; I130-M156 HydrophobicContact CG1-CE 4.14Å; I130-M156 HydrophobicContact CG1-SD 3.68Å; N133-M156 WeakPolarHBondContact O-CA 3.21Å; N133-M156 WeakPolarHBondContact O-CG 3.38Å; W134-M156 CarbonylContact C-O 3.54Å; T135-M156 HydrophobicContact CG2-CE 3.92Å; T135-M156 PolarHBondContact N-O 3.3Å; T135-M156 VanDerWaalsContact OG1-CE 3.26Å; T135-M156 WeakPolarHBondContact OG1-CE 3.11Å; N136-M156 PolarHBondContact N-O 3.19Å; A153-M156 HydrophobicContact CB-SD 3.57Å; A153-M156 VanDerWaalsContact CB-SD 3.57Å; K154-M156 WeakPolarHBondContact O-CG 3.13Å; K154-M156 PolarHBondContact O-N 2.81Å; K154-M156 VanDerWaalsContact O-N 3.14Å; M156-L158 HydrophobicContact CB-CD1 4.06Å; M156-L158 HydrophobicContact CB-CD2 4.34Å; M156-L158 HydrophobicContact CB-CG 3.76Å; M156-L158 HydrophobicContact SD-CD1 4.27Å; M156-N179 WeakPolarHBondContact CA-OD1 3.18Å; M156-N179 PolarHBondContact N-OD1 3.2Å
157	G	81.9	Confident	91.2	Very high	17 Å²	17	36.4 Å²	36.4	18%	0.175	18%	0.184	C	C	.	.			trans	79.3	14.8	-175	0	0	0	0	0	114.3	S159 N179	G157-S159 PolarHBondContact O-N 3.12Å; G157-N179 PolarHBondContact N-OD1 2.99Å
158	L	86.7	Confident	91.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.			trans	-67.6	130.6	-174.2	-58.8	171.4	0	0	0	111.6	I138 A153 M156 L161 L176 N179 E180 I181	I138-L158 HydrophobicContact CD1-CD1 3.8Å; I138-L158 HydrophobicContact CG1-CD1 4.05Å; I138-L158 HydrophobicContact CG1-CD2 3.9Å; A153-L158 HydrophobicContact CB-CD1 4.19Å; M156-L158 HydrophobicContact CB-CD1 4.06Å; M156-L158 HydrophobicContact CB-CD2 4.34Å; M156-L158 HydrophobicContact CB-CG 3.76Å; M156-L158 HydrophobicContact SD-CD1 4.27Å; L158-L161 HydrophobicContact CD1-CD2 4.17Å; L158-L176 HydrophobicContact CD1-CD2 4.14Å; L158-N179 HydrophobicContact CB-CB 4.2Å; L158-N179 PolarHBondContact N-OD1 3.25Å; L158-E180 CarbonylContact O-C 3.45Å; L158-E180 WeakPolarHBondContact O-CA 3.48Å; L158-E180 PolarHBondContact O-N 3.43Å; L158-I181 HydrophobicContact CB-CD1 3.87Å; L158-I181 PolarHBondContact O-N 3.05Å
159	S	80.7	Confident	90.8	Very high	54 Å²	54	35.4 Å²	35.4	38%	0.378	18%	0.184	S	C	.	.	S	Bend	trans	-94.6	-22.5	173.8	59.2	0	0	0	0	114	G157 E180 I181 T182	G157-S159 PolarHBondContact O-N 3.12Å; S159-E180 WeakPolarHBondContact CA-O 3.36Å; S159-I181 WeakPolarHBondContact O-CA 3.43Å; S159-T182 PolarHBondContact O-N 3.3Å; S159-T182 PolarHBondContact O-OG1 3.04Å
160	T	86.8	Confident	90.6	Very high	52 Å²	52	33.5 Å²	33.5	32%	0.319	18%	0.179	S	C	.	.	S	Bend	trans	-160.3	-173.7	174.8	-165	0	0	0	0	109.6	S183	T160-S183 WeakPolarHBondContact CB-O 3.18Å; T160-S183 PolarHBondContact OG1-O 3.23Å; T160-S183 PolarHBondContact OG1-OG 3.37Å
161	L	90.1	Very high	90.5	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	17%	0.172	C	C	.	.			trans	-120.8	146.8	173.6	-71.9	175.2	0	0	0	111	I138 L158 I165 I174 L176 L184 P185 F188	I138-L161 HydrophobicContact CD1-CD2 3.82Å; L158-L161 HydrophobicContact CD1-CD2 4.17Å; L161-I165 HydrophobicContact CD1-CD1 3.95Å; L161-I174 HydrophobicContact CD1-CG2 4.46Å; L161-L176 HydrophobicContact CD1-CD1 3.75Å; L161-L176 HydrophobicContact CD1-CD2 4.18Å; L161-L176 HydrophobicContact CD2-CD2 4.12Å; L161-L176 HydrophobicContact CG-CD1 4.39Å; L161-L176 HydrophobicContact CG-CD2 4.5Å; L161-L184 HydrophobicContact CB-CD2 4.5Å; L161-L184 HydrophobicContact CD1-CD2 4.07Å; L161-L184 HydrophobicContact CG-CD2 4.33Å; L161-P185 WeakPolarHBondContact O-CG 3.3Å; L161-F188 HydrophobicContact CB-CE2 4.21Å; L161-F188 HydrophobicContact CD1-CE2 3.87Å; L161-F188 HydrophobicContact CD1-CZ 3.54Å
162	P	92.3	Very high	90.4	Very high	21 Å²	21	38.2 Å²	38.2	14%	0.136	19%	0.194	C	C	.	.			trans	-66.1	140.5	179.3	29.8	-37.6	0	0	0	111.2	I138 T140 I142 Q164 I165	I138-P162 HydrophobicContact CB-CG 4.45Å; I138-P162 HydrophobicContact CG2-CG 4.33Å; I138-P162 WeakPolarHBondContact O-CG 3.18Å; T140-P162 HydrophobicContact CG2-CB 4.23Å; I142-P162 HydrophobicContact CG2-CG 3.63Å; P162-Q164 PolarHBondContact O-N 2.94Å; P162-Q164 VanDerWaalsContact O-N 3.1Å; P162-I165 WeakPolarHBondContact O-CB 3.3Å; P162-I165 WeakPolarHBondContact O-CG2 3.3Å; P162-I165 PolarHBondContact O-N 2.98Å
163	I	90.7	Very high	90.3	Very high	72 Å²	72	39 Å²	39	37%	0.369	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-55.6	-31.6	-179.4	-170.7	170.6	0	0	0	112.8	I165 I166 P185 E187	I163-I165 PolarHBondContact O-N 2.76Å; I163-I166 HydrophobicContact CG1-CD1 4.25Å; I163-I166 VanDerWaalsContact O-CG1 3.24Å; I163-I166 WeakPolarHBondContact O-CG1 3.47Å; I163-I166 WeakPolarHBondContact O-CG2 3.36Å; I163-I166 PolarHBondContact O-N 2.8Å; I163-P185 HydrophobicContact CG1-CB 4.45Å; I163-E187 HydrophobicContact CD1-CG 4.11Å; I163-E187 WeakPolarHBondContact CD1-OE2 3.28Å; I163-E187 HydrophobicContact CG1-CB 4.48Å; I163-E187 HydrophobicContact CG1-CG 4.49Å
164	Q	93.3	Very high	90.4	Very high	68 Å²	68	39 Å²	39	32%	0.318	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-62.2	-14	179	-68.6	76.5	12.4	0	0	114.2	T140 G143 P162 I166 N167	T140-Q164 VanDerWaalsContact CG2-OE1 3.26Å; T140-Q164 VanDerWaalsContact O-CB 3.23Å; T140-Q164 WeakPolarHBondContact O-CB 3.21Å; G143-Q164 WeakPolarHBondContact CA-O 3.45Å; P162-Q164 PolarHBondContact O-N 2.94Å; P162-Q164 VanDerWaalsContact O-N 3.1Å; Q164-I166 PolarHBondContact O-N 3.29Å; Q164-I166 VanDerWaalsContact O-N 3.11Å; Q164-N167 WeakPolarHBondContact O-CB 3.48Å; Q164-N167 PolarHBondContact O-N 2.94Å
165	I	92.9	Very high	90.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-58.6	-22.5	173.3	-160.4	175.1	0	0	0	112.5	I142 L151 L161 P162 I163 N167 C168 L171 I174 F188	I142-I165 HydrophobicContact CG2-CB 4.37Å; L151-I165 HydrophobicContact CD2-CD1 3.98Å; L161-I165 HydrophobicContact CD1-CD1 3.95Å; P162-I165 WeakPolarHBondContact O-CB 3.3Å; P162-I165 WeakPolarHBondContact O-CG2 3.3Å; P162-I165 PolarHBondContact O-N 2.98Å; I163-I165 PolarHBondContact O-N 2.76Å; I165-N167 PolarHBondContact O-N 3.06Å; I165-C168 WeakPolarHBondContact O-CB 3.23Å; I165-C168 PolarHBondContact O-N 2.98Å; I165-C168 VanDerWaalsContact O-N 3.09Å; I165-L171 HydrophobicContact CD1-CD1 4.2Å; I165-L171 HydrophobicContact CG1-CD1 3.82Å; I165-I174 HydrophobicContact CD1-CD1 4.23Å; I165-F188 HydrophobicContact CD1-CZ 4.47Å; I165-F188 HydrophobicContact CG2-CD2 4.23Å; I165-F188 HydrophobicContact CG2-CE2 3.62Å; I165-F188 HydrophobicContact CG2-CZ 4.36Å
166	I	90.8	Very high	90.6	Very high	25 Å²	25	32.2 Å²	32.2	13%	0.128	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-60.5	-23.7	173.8	69.7	-170.8	0	0	0	113.4	I163 Q164 C168 E187 R190	I163-I166 HydrophobicContact CG1-CD1 4.25Å; I163-I166 VanDerWaalsContact O-CG1 3.24Å; I163-I166 WeakPolarHBondContact O-CG1 3.47Å; I163-I166 WeakPolarHBondContact O-CG2 3.36Å; I163-I166 PolarHBondContact O-N 2.8Å; Q164-I166 PolarHBondContact O-N 3.29Å; Q164-I166 VanDerWaalsContact O-N 3.11Å; I166-C168 VanDerWaalsContact C-N 3.25Å; I166-C168 PolarHBondContact O-N 3.24Å; I166-E187 HydrophobicContact CD1-CB 4.17Å; I166-E187 HydrophobicContact CG2-CB 3.95Å; I166-E187 WeakPolarHBondContact CG2-O 3.19Å; I166-R190 HydrophobicContact CB-CB 4.47Å
167	N	91.7	Very high	90.6	Very high	81 Å²	81	35.3 Å²	35.3	43%	0.433	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-68.6	-27.2	177.3	-65.6	1.4	0	0	0	111.7	G143 L146 Q164 I165 S169	G143-N167 WeakPolarHBondContact O-CB 3.38Å; L146-N167 HydrophobicContact CD2-CB 4.32Å; Q164-N167 WeakPolarHBondContact O-CB 3.48Å; Q164-N167 PolarHBondContact O-N 2.94Å; I165-N167 PolarHBondContact O-N 3.06Å; N167-S169 PolarHBondContact O-N 3.03Å
168	C	92.7	Very high	90.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.			trans	-73.7	54.5	172.8	-57.7	0	0	0	0	110.9	I142 L145 L148 I165 I166 K170 L171	I142-C168 PolarHBondContact O-SG 2.95Å; L145-C168 PolarHBondContact O-SG 3.04Å; L148-C168 HydrophobicContact CB-CB 4.36Å; I165-C168 WeakPolarHBondContact O-CB 3.23Å; I165-C168 PolarHBondContact O-N 2.98Å; I165-C168 VanDerWaalsContact O-N 3.09Å; I166-C168 VanDerWaalsContact C-N 3.25Å; I166-C168 PolarHBondContact O-N 3.24Å; C168-K170 PolarHBondContact O-N 3.2Å; C168-L171 HydrophobicContact CB-CD1 3.49Å; C168-L171 VanDerWaalsContact CB-CD1 3.49Å; C168-L171 HydrophobicContact CB-CG 3.74Å; C168-L171 WeakPolarHBondContact O-CB 3.18Å; C168-L171 WeakPolarHBondContact O-CG 3.43Å; C168-L171 PolarHBondContact O-N 3.04Å
169	S	90.3	Very high	90.5	Very high	42 Å²	42	35.1 Å²	35.1	29%	0.294	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-8.7	-173.3	68.4	0	0	0	0	114.8	N167 K193	N167-S169 PolarHBondContact O-N 3.03Å; S169-K193 WeakPolarHBondContact O-CD 3.47Å
170	K	93.3	Very high	90.3	Very high	63 Å²	63	35 Å²	35	27%	0.274	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-5	174.5	-71.6	177	175.9	174.6	0	113.9	L146 E147 L148 R149 C168 R172	L146-K170 WeakPolarHBondContact O-CD 3.11Å; E147-K170 IonicContact OE1-NZ 3.9Å; E147-K170 PolarHBondContact OE1-NZ 2.92Å; E147-K170 WeakPolarHBondContact OE2-CD 3.23Å; E147-K170 IonicContact OE2-NZ 2.86Å; E147-K170 PolarHBondContact OE2-NZ 2.99Å; L148-K170 CarbonylContact O-C 3.51Å; R149-K170 HydrophobicContact CG-CB 4.45Å; C168-K170 PolarHBondContact O-N 3.2Å; K170-R172 PolarHBondContact O-N 3.46Å
171	L	94.4	Very high	89.9	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.			trans	-55.7	132	178.6	-81.9	169.9	0	0	0	111.6	L148 L151 I165 C168 I174 L191 K193 L194	L148-L171 HydrophobicContact CB-CD2 4.36Å; L148-L171 HydrophobicContact CD2-CD2 3.99Å; L148-L171 HydrophobicContact CG-CD2 3.87Å; L148-L171 WeakPolarHBondContact O-CA 3.41Å; L148-L171 PolarHBondContact O-N 3.09Å; L151-L171 HydrophobicContact CB-CD2 4.21Å; I165-L171 HydrophobicContact CD1-CD1 4.2Å; I165-L171 HydrophobicContact CG1-CD1 3.82Å; C168-L171 HydrophobicContact CB-CD1 3.49Å; C168-L171 VanDerWaalsContact CB-CD1 3.49Å; C168-L171 HydrophobicContact CB-CG 3.74Å; C168-L171 WeakPolarHBondContact O-CB 3.18Å; C168-L171 WeakPolarHBondContact O-CG 3.43Å; C168-L171 PolarHBondContact O-N 3.04Å; L171-I174 HydrophobicContact CD1-CD1 4.05Å; L171-I174 HydrophobicContact CD1-CG1 4.33Å; L171-I174 HydrophobicContact CD2-CG1 4.32Å; L171-L191 HydrophobicContact CB-CD2 4.46Å; L171-L191 HydrophobicContact CD1-CD1 4.34Å; L171-L191 HydrophobicContact CD1-CD2 4.33Å; L171-K193 CarbonylContact O-C 3.45Å; L171-K193 WeakPolarHBondContact O-CB 3.4Å; L171-L194 WeakPolarHBondContact O-CA 3.4Å; L171-L194 PolarHBondContact O-N 3.34Å
172	R	93.9	Very high	89	Confident	121 Å²	121	36.6 Å²	36.6	46%	0.457	18%	0.184	S	C	.	.			trans	-120.7	-32.4	178.2	-65.7	-177.5	178	-171.9	-2.8	112.2	R149 K170 K193 K195 A196	R149-R172 WeakPolarHBondContact O-CA 3.44Å; R149-R172 PolarHBondContact O-N 3.21Å; K170-R172 PolarHBondContact O-N 3.46Å; R172-K193 WeakPolarHBondContact CA-O 3.08Å; R172-K195 WeakPolarHBondContact O-CA 3.37Å; R172-K195 PolarHBondContact O-N 2.76Å; R172-A196 PolarHBondContact O-N 3.39Å
173	T	94	Very high	88.3	Confident	39 Å²	39	38 Å²	38	24%	0.239	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	129.2	-179.3	-55.1	0	0	0	0	110.1	R149 C150 L151 A196	R149-T173 PolarHBondContact O-N 2.97Å; C150-T173 WeakPolarHBondContact CA-O 3.45Å; L151-T173 PolarHBondContact N-O 3.42Å; T173-A196 WeakPolarHBondContact CA-O 3.18Å; T173-A196 HydrophobicContact CG2-CB 4.06Å
174	I	94.7	Very high	88	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.2	170.8	-63.6	170.8	0	0	0	107.4	L151 L161 I165 L171 L176 F188 L191 L194 A196 L197 H198	L151-I174 WeakPolarHBondContact O-CA 3.48Å; L161-I174 HydrophobicContact CD1-CG2 4.46Å; I165-I174 HydrophobicContact CD1-CD1 4.23Å; L171-I174 HydrophobicContact CD1-CD1 4.05Å; L171-I174 HydrophobicContact CD1-CG1 4.33Å; L171-I174 HydrophobicContact CD2-CG1 4.32Å; I174-L176 HydrophobicContact CG2-CD1 4Å; I174-L176 HydrophobicContact CG2-CD2 4.04Å; I174-L176 HydrophobicContact CG2-CG 3.8Å; I174-F188 HydrophobicContact CD1-CE1 3.91Å; I174-F188 HydrophobicContact CD1-CZ 3.89Å; I174-L191 HydrophobicContact CD1-CD1 4Å; I174-L194 HydrophobicContact CB-CD1 4.25Å; I174-L194 HydrophobicContact CD1-CD1 3.74Å; I174-L194 HydrophobicContact CD1-CD2 4.08Å; I174-L194 HydrophobicContact CG1-CD1 3.7Å; I174-A196 PolarHBondContact N-O 3.06Å; I174-L197 HydrophobicContact CB-CD1 4.1Å; I174-L197 HydrophobicContact CG2-CD1 4.16Å; I174-L197 WeakPolarHBondContact O-CA 3.5Å; I174-H198 PolarHBondContact O-CD2 3.07Å; I174-H198 PolarHBondContact O-N 3.16Å
175	N	92.5	Very high	87.6	Confident	15 Å²	15	32.9 Å²	32.9	8%	0.08	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.1	178.5	-166.3	-45.4	0	0	0	110.8	L151 L152 A153 K154 Y177 H198	L151-N175 PolarHBondContact O-N 2.79Å; L152-N175 HydrophobicContact CD2-CB 3.56Å; A153-N175 CarbonylContact C-O 3.33Å; A153-N175 PolarHBondContact N-O 3.06Å; K154-N175 WeakPolarHBondContact CE-OD1 3.36Å; K154-N175 WeakPolarHBondContact CG-OD1 3.49Å; N175-Y177 VanDerWaalsContact OD1-CB 3.23Å; N175-Y177 WeakPolarHBondContact OD1-CB 3.47Å; N175-Y177 PolarHBondContact OD1-N 3.32Å; N175-H198 HydrophobicContact CB-CB 4.18Å; N175-H198 PolarHBondContact ND2-CD2 2.8Å; N175-H198 VanDerWaalsContact ND2-CD2 3.33Å
176	L	90.4	Very high	86.9	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.194	C	C	.	.			trans	-119.9	21	-176	-55	167.7	0	0	0	111.8	A153 L158 L161 I174 G178 N179 I181 L197 H198 L199	A153-L176 HydrophobicContact CB-CD2 4.07Å; L158-L176 HydrophobicContact CD1-CD2 4.14Å; L161-L176 HydrophobicContact CD1-CD1 3.75Å; L161-L176 HydrophobicContact CD1-CD2 4.18Å; L161-L176 HydrophobicContact CD2-CD2 4.12Å; L161-L176 HydrophobicContact CG-CD1 4.39Å; L161-L176 HydrophobicContact CG-CD2 4.5Å; I174-L176 HydrophobicContact CG2-CD1 4Å; I174-L176 HydrophobicContact CG2-CD2 4.04Å; I174-L176 HydrophobicContact CG2-CG 3.8Å; L176-G178 PolarHBondContact O-N 3.18Å; L176-N179 VanDerWaalsContact C-ND2 3.32Å; L176-N179 WeakPolarHBondContact O-CB 3.39Å; L176-N179 PolarHBondContact O-N 3.26Å; L176-N179 PolarHBondContact O-ND2 2.79Å; L176-I181 HydrophobicContact CB-CG1 4.28Å; L176-I181 HydrophobicContact CD1-CD1 4.22Å; L176-I181 HydrophobicContact CD1-CG1 4.14Å; L176-L197 HydrophobicContact CD1-CD1 4.44Å; L176-H198 PolarHBondContact N-O 2.9Å; L176-L199 HydrophobicContact CB-CD2 4.18Å; L176-L199 HydrophobicContact CD1-CD2 3.97Å
177	Y	88.2	Confident	86.6	Confident	66 Å²	66	39.1 Å²	39.1	26%	0.259	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	132.4	174.5	-174.7	-75	0	0	0	111	K154 R155 N175 D200	K154-Y177 CarbonylContact C-O 3.33Å; K154-Y177 WeakPolarHBondContact CA-O 3.27Å; K154-Y177 VanDerWaalsContact CB-O 3.27Å; K154-Y177 WeakPolarHBondContact CB-O 3.33Å; R155-Y177 PolarHBondContact N-O 3.08Å; N175-Y177 VanDerWaalsContact OD1-CB 3.23Å; N175-Y177 WeakPolarHBondContact OD1-CB 3.47Å; N175-Y177 PolarHBondContact OD1-N 3.32Å; Y177-D200 WeakPolarHBondContact CA-OD1 3.21Å; Y177-D200 WeakPolarHBondContact CD1-OD1 3.41Å; Y177-D200 HydrophobicContact CD2-CB 3.45Å; Y177-D200 VanDerWaalsContact CD2-CB 3.45Å; Y177-D200 WeakPolarHBondContact CD2-OD1 3.29Å; Y177-D200 VanDerWaalsContact CE1-OD1 3.26Å; Y177-D200 WeakPolarHBondContact CE1-OD1 3.41Å; Y177-D200 HydrophobicContact CE2-CB 3.76Å; Y177-D200 WeakPolarHBondContact CE2-OD1 3.4Å; Y177-D200 VanDerWaalsContact CE2-OD2 3.28Å; Y177-D200 WeakPolarHBondContact CE2-OD2 3.25Å; Y177-D200 HydrophobicContact CG-CB 3.98Å; Y177-D200 VanDerWaalsContact CZ-CG 3.44Å
178	G	82.6	Confident	86.1	Confident	9 Å²	9	35.3 Å²	35.3	9%	0.093	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	18.5	177.6	0	0	0	0	0	116.6	R155 L176 D200 Y201	R155-G178 WeakPolarHBondContact CA-O 3.29Å; L176-G178 PolarHBondContact O-N 3.18Å; G178-D200 PolarHBondContact N-O 3.02Å; G178-D200 PolarHBondContact N-OD1 3.03Å; G178-Y201 VanDerWaalsContact CA-CB 3.45Å
179	N	84.1	Confident	85.3	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.021	20%	0.199	C	C	.	.	S	Bend	trans	-111	177.2	-178.4	-72.6	-66.3	0	0	0	113.2	A153 M156 G157 L158 L176 I181	A153-N179 PolarHBondContact O-ND2 2.93Å; M156-N179 WeakPolarHBondContact CA-OD1 3.18Å; M156-N179 PolarHBondContact N-OD1 3.2Å; G157-N179 PolarHBondContact N-OD1 2.99Å; L158-N179 HydrophobicContact CB-CB 4.2Å; L158-N179 PolarHBondContact N-OD1 3.25Å; L176-N179 VanDerWaalsContact C-ND2 3.32Å; L176-N179 WeakPolarHBondContact O-CB 3.39Å; L176-N179 PolarHBondContact O-N 3.26Å; L176-N179 PolarHBondContact O-ND2 2.79Å; N179-I181 HydrophobicContact CB-CD1 4.41Å; N179-I181 HydrophobicContact CB-CG1 3.96Å
180	E	76.3	Confident	85	Confident	50 Å²	50	43.4 Å²	43.4	23%	0.234	21%	0.214	C	C	.	.			trans	-101.2	34.7	177.1	-55.6	-168.3	-165	0	0	112.5	L158 S159 T182 H203 K210	L158-E180 CarbonylContact O-C 3.45Å; L158-E180 WeakPolarHBondContact O-CA 3.48Å; L158-E180 PolarHBondContact O-N 3.43Å; S159-E180 WeakPolarHBondContact CA-O 3.36Å; E180-T182 PolarHBondContact O-N 2.89Å; E180-H203 HydrophobicContact CB-CB 4.17Å; E180-H203 HydrophobicContact CG-CB 3.94Å; E180-H203 IonicContact OE1-CD2 3.22Å; E180-H203 PolarHBondContact OE1-CD2 2.84Å; E180-H203 VanDerWaalsContact OE1-CD2 3.24Å; E180-H203 IonicContact OE1-NE2 2.61Å; E180-H203 PolarHBondContact OE1-NE2 2.95Å; E180-H203 IonicContact OE2-CD2 2.75Å; E180-H203 PolarHBondContact OE2-CD2 2.89Å; E180-K210 IonicContact OE2-NZ 2.68Å; E180-K210 PolarHBondContact OE2-NZ 3.44Å
181	I	79.5	Confident	84.7	Confident	32 Å²	32	40.6 Å²	40.6	16%	0.164	20%	0.202	C	C	.	.			trans	-62.3	107.8	-172.4	-58.7	-65.6	0	0	0	110.6	L158 S159 L176 N179 L184 L199	L158-I181 HydrophobicContact CB-CD1 3.87Å; L158-I181 PolarHBondContact O-N 3.05Å; S159-I181 WeakPolarHBondContact O-CA 3.43Å; L176-I181 HydrophobicContact CB-CG1 4.28Å; L176-I181 HydrophobicContact CD1-CD1 4.22Å; L176-I181 HydrophobicContact CD1-CG1 4.14Å; N179-I181 HydrophobicContact CB-CD1 4.41Å; N179-I181 HydrophobicContact CB-CG1 3.96Å; I181-L184 HydrophobicContact CG2-CD2 3.98Å; I181-L184 HydrophobicContact CG2-CG 4.2Å; I181-L199 HydrophobicContact CB-CD2 4.16Å; I181-L199 HydrophobicContact CG1-CD2 4.24Å; I181-L199 HydrophobicContact CG2-CD2 4.09Å
182	T	70.1	Confident	84.2	Confident	59 Å²	59	45.7 Å²	45.7	36%	0.362	22%	0.222	S	C	.	.			trans	-105.5	-18	178.5	51.6	0	0	0	0	112.8	S159 E180 A207	S159-T182 PolarHBondContact O-N 3.3Å; S159-T182 PolarHBondContact O-OG1 3.04Å; E180-T182 PolarHBondContact O-N 2.89Å; T182-A207 HydrophobicContact CG2-CB 3.43Å; T182-A207 VanDerWaalsContact CG2-CB 3.43Å
183	S	77.5	Confident	83.9	Confident	50 Å²	50	43.2 Å²	43.2	35%	0.35	22%	0.215	S	C	.	.			trans	-152.8	156.1	177.3	61.6	0	0	0	0	110.7	T160	T160-S183 WeakPolarHBondContact CB-O 3.18Å; T160-S183 PolarHBondContact OG1-O 3.23Å; T160-S183 PolarHBondContact OG1-OG 3.37Å
184	L	84.9	Confident	83.7	Confident	12 Å²	12	41.5 Å²	41.5	6%	0.063	20%	0.204	C	C	.	.			trans	-125.8	147.1	166.5	-66.3	173	0	0	0	107.8	L161 I181 F188 L197 P273 A275 I276	L161-L184 HydrophobicContact CB-CD2 4.5Å; L161-L184 HydrophobicContact CD1-CD2 4.07Å; L161-L184 HydrophobicContact CG-CD2 4.33Å; I181-L184 HydrophobicContact CG2-CD2 3.98Å; I181-L184 HydrophobicContact CG2-CG 4.2Å; L184-F188 HydrophobicContact CB-CD2 4.33Å; L184-F188 HydrophobicContact CB-CG 4.42Å; L184-F188 HydrophobicContact CD1-CD1 4.33Å; L184-F188 HydrophobicContact CD1-CE1 4.32Å; L184-F188 HydrophobicContact CD2-CE2 4.21Å; L184-F188 HydrophobicContact CD2-CZ 4.2Å; L184-L197 HydrophobicContact CD1-CD2 4.43Å; L184-P273 HydrophobicContact CG-CB 4.5Å; L184-A275 HydrophobicContact CB-CB 4.16Å; L184-I276 HydrophobicContact CD1-CD1 4.36Å; L184-I276 HydrophobicContact CD1-CG1 3.92Å
185	P	84.7	Confident	83.5	Confident	21 Å²	21	46.8 Å²	46.8	14%	0.136	23%	0.227	C	C	.	.			trans	-52.7	141.6	175.7	-26	32.9	0	0	0	112.3	L161 I163 E187 F188	L161-P185 WeakPolarHBondContact O-CG 3.3Å; I163-P185 HydrophobicContact CG1-CB 4.45Å; P185-E187 PolarHBondContact O-N 3.44Å; P185-F188 HydrophobicContact CG-CD2 4.4Å; P185-F188 VanDerWaalsContact O-CB 3.3Å; P185-F188 WeakPolarHBondContact O-CB 3.48Å; P185-F188 PolarHBondContact O-N 3.16Å
186	D	78.1	Confident	83.5	Confident	92 Å²	92	46.7 Å²	46.7	49%	0.492	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-64.2	-25.6	-179.8	-88.4	-53.3	0	0	0	113	F188 S189 K278	D186-F188 PolarHBondContact O-N 2.76Å; D186-S189 PolarHBondContact O-OG 2.76Å; D186-K278 IonicContact OD1-NZ 2.62Å; D186-K278 PolarHBondContact OD1-NZ 3.29Å
187	E	85.4	Confident	83.6	Confident	65 Å²	65	46.7 Å²	46.7	30%	0.304	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-71.5	-5.1	173.9	-58.3	77.6	-172.7	0	0	113.5	I163 I166 P185 S189 R190	I163-E187 HydrophobicContact CD1-CG 4.11Å; I163-E187 WeakPolarHBondContact CD1-OE2 3.28Å; I163-E187 HydrophobicContact CG1-CB 4.48Å; I163-E187 HydrophobicContact CG1-CG 4.49Å; I166-E187 HydrophobicContact CD1-CB 4.17Å; I166-E187 HydrophobicContact CG2-CB 3.95Å; I166-E187 WeakPolarHBondContact CG2-O 3.19Å; P185-E187 PolarHBondContact O-N 3.44Å; E187-S189 PolarHBondContact O-N 3.26Å; E187-R190 VanDerWaalsContact O-CB 3.28Å; E187-R190 WeakPolarHBondContact O-CB 3.4Å; E187-R190 WeakPolarHBondContact O-CG 3.26Å; E187-R190 PolarHBondContact O-N 2.78Å
188	F	81.6	Confident	83.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-52.6	-30.6	173.5	-124.5	-111.2	0	0	0	112.2	L161 I165 I174 L184 P185 D186 R190 L191 L194 A275 L279	L161-F188 HydrophobicContact CB-CE2 4.21Å; L161-F188 HydrophobicContact CD1-CE2 3.87Å; L161-F188 HydrophobicContact CD1-CZ 3.54Å; I165-F188 HydrophobicContact CD1-CZ 4.47Å; I165-F188 HydrophobicContact CG2-CD2 4.23Å; I165-F188 HydrophobicContact CG2-CE2 3.62Å; I165-F188 HydrophobicContact CG2-CZ 4.36Å; I174-F188 HydrophobicContact CD1-CE1 3.91Å; I174-F188 HydrophobicContact CD1-CZ 3.89Å; L184-F188 HydrophobicContact CB-CD2 4.33Å; L184-F188 HydrophobicContact CB-CG 4.42Å; L184-F188 HydrophobicContact CD1-CD1 4.33Å; L184-F188 HydrophobicContact CD1-CE1 4.32Å; L184-F188 HydrophobicContact CD2-CE2 4.21Å; L184-F188 HydrophobicContact CD2-CZ 4.2Å; P185-F188 HydrophobicContact CG-CD2 4.4Å; P185-F188 VanDerWaalsContact O-CB 3.3Å; P185-F188 WeakPolarHBondContact O-CB 3.48Å; P185-F188 PolarHBondContact O-N 3.16Å; D186-F188 PolarHBondContact O-N 2.76Å; F188-R190 PolarHBondContact O-N 3.47Å; F188-L191 HydrophobicContact CD1-CD1 4.12Å; F188-L191 HydrophobicContact CE1-CD1 3.98Å; F188-L191 HydrophobicContact CE2-CD1 4.46Å; F188-L191 HydrophobicContact CG-CD1 4.41Å; F188-L191 HydrophobicContact CZ-CD1 4.14Å; F188-L191 WeakPolarHBondContact O-CB 3.35Å; F188-L191 PolarHBondContact O-N 3.25Å; F188-L194 HydrophobicContact CD1-CD2 4.4Å; F188-L194 HydrophobicContact CE1-CD2 4.16Å; F188-A275 HydrophobicContact CB-CB 4.49Å; F188-L279 HydrophobicContact CD1-CD1 4.39Å; F188-L279 HydrophobicContact CD1-CD2 4.3Å; F188-L279 WeakPolarHBondContact O-CD2 3.26Å
189	S	75.7	Confident	83.7	Confident	51 Å²	51	45.4 Å²	45.4	36%	0.357	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-49.1	-25.4	170.8	55.2	0	0	0	0	114.7	D186 E187 L191	D186-S189 PolarHBondContact O-OG 2.76Å; E187-S189 PolarHBondContact O-N 3.26Å; S189-L191 VanDerWaalsContact C-N 3.29Å; S189-L191 PolarHBondContact O-N 3.14Å
190	R	84.1	Confident	83.3	Confident	162 Å²	162	45.6 Å²	45.6	61%	0.611	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-73.6	-12.8	175.8	-63.9	-178.7	177.1	176.1	1	113.9	I166 E187 F188 Y192	I166-R190 HydrophobicContact CB-CB 4.47Å; E187-R190 VanDerWaalsContact O-CB 3.28Å; E187-R190 WeakPolarHBondContact O-CB 3.4Å; E187-R190 WeakPolarHBondContact O-CG 3.26Å; E187-R190 PolarHBondContact O-N 2.78Å; F188-R190 PolarHBondContact O-N 3.47Å; R190-Y192 WeakPolarHBondContact O-CD1 3.35Å; R190-Y192 PolarHBondContact O-N 3.45Å
191	L	87	Confident	82.7	Confident	3 Å²	3	49 Å²	49	2%	0.016	24%	0.235	C	C	.	.			trans	-76.6	61.2	174.5	-65.3	178.5	0	0	0	111.6	L171 I174 F188 S189 K193 L194	L171-L191 HydrophobicContact CB-CD2 4.46Å; L171-L191 HydrophobicContact CD1-CD1 4.34Å; L171-L191 HydrophobicContact CD1-CD2 4.33Å; I174-L191 HydrophobicContact CD1-CD1 4Å; F188-L191 HydrophobicContact CD1-CD1 4.12Å; F188-L191 HydrophobicContact CE1-CD1 3.98Å; F188-L191 HydrophobicContact CE2-CD1 4.46Å; F188-L191 HydrophobicContact CG-CD1 4.41Å; F188-L191 HydrophobicContact CZ-CD1 4.14Å; F188-L191 WeakPolarHBondContact O-CB 3.35Å; F188-L191 PolarHBondContact O-N 3.25Å; S189-L191 VanDerWaalsContact C-N 3.29Å; S189-L191 PolarHBondContact O-N 3.14Å; L191-K193 PolarHBondContact O-N 3.33Å; L191-L194 HydrophobicContact CB-CB 4.09Å; L191-L194 HydrophobicContact CD1-CD2 4.48Å; L191-L194 VanDerWaalsContact O-CB 3.26Å; L191-L194 WeakPolarHBondContact O-CB 3.33Å; L191-L194 PolarHBondContact O-N 3.4Å
192	Y	82.4	Confident	81.6	Confident	107 Å²	107	54.3 Å²	54.3	42%	0.42	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	2.2	-174.1	73	-87.6	0	0	0	115.6	R190 R281	R190-Y192 WeakPolarHBondContact O-CD1 3.35Å; R190-Y192 PolarHBondContact O-N 3.45Å; Y192-R281 WeakPolarHBondContact O-CD 3.48Å; Y192-R281 PolarHBondContact O-NH1 3.24Å
193	K	87.4	Confident	80.9	Confident	70 Å²	70	52.8 Å²	52.8	30%	0.304	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-5.6	171.7	-72.3	179.7	-175.6	141.7	0	113.3	S169 L171 R172 L191 K195	S169-K193 WeakPolarHBondContact O-CD 3.47Å; L171-K193 CarbonylContact O-C 3.45Å; L171-K193 WeakPolarHBondContact O-CB 3.4Å; R172-K193 WeakPolarHBondContact CA-O 3.08Å; L191-K193 PolarHBondContact O-N 3.33Å; K193-K195 PolarHBondContact O-N 2.93Å
194	L	90.8	Very high	79.7	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.01	23%	0.234	C	C	.	.			trans	-65.7	121.3	179.6	-168.6	65.6	0	0	0	109.5	L171 I174 F188 L191 L279 R281 L282	L171-L194 WeakPolarHBondContact O-CA 3.4Å; L171-L194 PolarHBondContact O-N 3.34Å; I174-L194 HydrophobicContact CB-CD1 4.25Å; I174-L194 HydrophobicContact CD1-CD1 3.74Å; I174-L194 HydrophobicContact CD1-CD2 4.08Å; I174-L194 HydrophobicContact CG1-CD1 3.7Å; F188-L194 HydrophobicContact CD1-CD2 4.4Å; F188-L194 HydrophobicContact CE1-CD2 4.16Å; L191-L194 HydrophobicContact CB-CB 4.09Å; L191-L194 HydrophobicContact CD1-CD2 4.48Å; L191-L194 VanDerWaalsContact O-CB 3.26Å; L191-L194 WeakPolarHBondContact O-CB 3.33Å; L191-L194 PolarHBondContact O-N 3.4Å; L194-L279 HydrophobicContact CD2-CD1 3.95Å; L194-L279 HydrophobicContact CD2-CD2 4.16Å; L194-R281 CarbonylContact O-C 3.59Å; L194-L282 HydrophobicContact CG-CD1 4.33Å
195	K	90.8	Very high	78.3	Confident	112 Å²	112	52.4 Å²	52.4	49%	0.487	23%	0.234	S	C	.	.			trans	-110.1	-40.6	-178.7	-73	-167.1	173.5	-162	0	111.8	R172 K193 L282 T283 A284	R172-K195 WeakPolarHBondContact O-CA 3.37Å; R172-K195 PolarHBondContact O-N 2.76Å; K193-K195 PolarHBondContact O-N 2.93Å; K195-L282 WeakPolarHBondContact O-CD1 3.46Å; K195-T283 PolarHBondContact O-N 2.86Å; K195-T283 PolarHBondContact O-OG1 3.47Å; K195-A284 PolarHBondContact O-N 3.29Å
196	A	92.3	Very high	76.7	Confident	13 Å²	13	56.9 Å²	56.9	11%	0.107	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.8	-177.6	0	0	0	0	0	111.1	R172 T173 I174 A284	R172-A196 PolarHBondContact O-N 3.39Å; T173-A196 WeakPolarHBondContact CA-O 3.18Å; T173-A196 HydrophobicContact CG2-CB 4.06Å; I174-A196 PolarHBondContact N-O 3.06Å; A196-A284 WeakPolarHBondContact CA-O 3.25Å; A196-A284 HydrophobicContact CB-CB 4.13Å
197	L	92.4	Very high	75.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121	172.4	179.2	62.2	0	0	0	108.1	I174 L176 L184 L199 I276 L279 L282 A284 L285 H286	I174-L197 HydrophobicContact CB-CD1 4.1Å; I174-L197 HydrophobicContact CG2-CD1 4.16Å; I174-L197 WeakPolarHBondContact O-CA 3.5Å; L176-L197 HydrophobicContact CD1-CD1 4.44Å; L184-L197 HydrophobicContact CD1-CD2 4.43Å; L197-L199 HydrophobicContact CD2-CD1 4.01Å; L197-L199 HydrophobicContact CG-CD1 4.24Å; L197-L199 HydrophobicContact CG-CG 4.23Å; L197-I276 HydrophobicContact CD2-CD1 4.19Å; L197-I276 HydrophobicContact CD2-CG1 3.97Å; L197-I276 HydrophobicContact CD2-CG2 4.42Å; L197-L279 HydrophobicContact CD2-CD1 4.08Å; L197-L282 HydrophobicContact CB-CD1 3.83Å; L197-L282 HydrophobicContact CB-CD2 4.44Å; L197-A284 PolarHBondContact N-O 3.28Å; L197-A284 VanDerWaalsContact N-O 3.15Å; L197-L285 HydrophobicContact CB-CD1 4.47Å; L197-H286 PolarHBondContact O-N 3.22Å
198	H	89.6	Confident	73.7	Confident	36 Å²	36	53.5 Å²	53.5	17%	0.167	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.7	175.3	-44.1	-107.8	0	0	0	110	I174 N175 L176 H286	I174-H198 PolarHBondContact O-CD2 3.07Å; I174-H198 PolarHBondContact O-N 3.16Å; N175-H198 HydrophobicContact CB-CB 4.18Å; N175-H198 PolarHBondContact ND2-CD2 2.8Å; N175-H198 VanDerWaalsContact ND2-CD2 3.33Å; L176-H198 PolarHBondContact N-O 2.9Å; H198-H286 HydrophobicContact CB-CB 4.21Å; H198-H286 AromaticContact CE1-CD2 3.44Å; H198-H286 PolarHBondContact CE1-CD2 3.35Å; H198-H286 VanDerWaalsContact CE1-CD2 3.44Å; H198-H286 AromaticContact CE1-CE1 3.87Å; H198-H286 AromaticContact CE1-NE2 3.14Å; H198-H286 PolarHBondContact CE1-NE2 3.34Å; H198-H286 AromaticContact CG-CD2 3.72Å; H198-H286 AromaticContact ND1-CD2 2.97Å; H198-H286 PolarHBondContact ND1-CD2 2.61Å; H198-H286 AromaticContact ND1-CE1 3.63Å; H198-H286 AromaticContact ND1-CG 3.4Å; H198-H286 AromaticContact ND1-ND1 3.78Å; H198-H286 AromaticContact ND1-NE2 3.1Å; H198-H286 PolarHBondContact ND1-NE2 3.3Å; H198-H286 VanDerWaalsContact ND1-NE2 3.1Å
199	L	84.1	Confident	72.3	Confident	12 Å²	12	54.9 Å²	54.9	6%	0.063	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.4	172.1	-66.8	164.8	0	0	0	107.6	L176 I181 L197 I276 H286 L287	L176-L199 HydrophobicContact CB-CD2 4.18Å; L176-L199 HydrophobicContact CD1-CD2 3.97Å; I181-L199 HydrophobicContact CB-CD2 4.16Å; I181-L199 HydrophobicContact CG1-CD2 4.24Å; I181-L199 HydrophobicContact CG2-CD2 4.09Å; L197-L199 HydrophobicContact CD2-CD1 4.01Å; L197-L199 HydrophobicContact CG-CD1 4.24Å; L197-L199 HydrophobicContact CG-CG 4.23Å; L199-I276 HydrophobicContact CD1-CD1 3.36Å; L199-I276 HydrophobicContact CD1-CG1 4.5Å; L199-H286 PolarHBondContact N-O 2.84Å; L199-H286 CarbonylContact O-C 3.49Å; L199-L287 HydrophobicContact CB-CD2 4.17Å; L199-L287 HydrophobicContact CD1-CD2 4.29Å; L199-L287 WeakPolarHBondContact O-CA 3.5Å
200	D	75.1	Confident	70.8	Confident	9 Å²	9	57.6 Å²	57.6	5%	0.048	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	164	-179.8	135.1	-78.6	0	0	0	107.5	Y177 G178 D288 R289	Y177-D200 WeakPolarHBondContact CA-OD1 3.21Å; Y177-D200 WeakPolarHBondContact CD1-OD1 3.41Å; Y177-D200 HydrophobicContact CD2-CB 3.45Å; Y177-D200 VanDerWaalsContact CD2-CB 3.45Å; Y177-D200 WeakPolarHBondContact CD2-OD1 3.29Å; Y177-D200 VanDerWaalsContact CE1-OD1 3.26Å; Y177-D200 WeakPolarHBondContact CE1-OD1 3.41Å; Y177-D200 HydrophobicContact CE2-CB 3.76Å; Y177-D200 WeakPolarHBondContact CE2-OD1 3.4Å; Y177-D200 VanDerWaalsContact CE2-OD2 3.28Å; Y177-D200 WeakPolarHBondContact CE2-OD2 3.25Å; Y177-D200 HydrophobicContact CG-CB 3.98Å; Y177-D200 VanDerWaalsContact CZ-CG 3.44Å; G178-D200 PolarHBondContact N-O 3.02Å; G178-D200 PolarHBondContact N-OD1 3.03Å; D200-D288 WeakPolarHBondContact CA-O 3.43Å; D200-D288 WeakPolarHBondContact CB-O 3.47Å; D200-R289 WeakPolarHBondContact OD2-CD 3.24Å
201	Y	62.9	Low	68.3	Low	121 Å²	121	55.1 Å²	55.1	48%	0.475	26%	0.256	S	S	.	.			trans	90.6	149.1	169.4	-159.3	-108.3	0	0	0	117.2	G178	G178-Y201 VanDerWaalsContact CA-CB 3.45Å
202	R	57.4	Low	65.8	Low	144 Å²	144	63.9 Å²	63.9	54%	0.543	29%	0.289	S	S	.	.	S	Bend	trans	-99.2	94.7	-155.4	-66	-177.4	-84.3	158.7	-7.6	112.2	R289 Q291	R202-R289 WeakPolarHBondContact CG-O 3.46Å; R202-Q291 HydrophobicContact CG-CG 3.87Å
203	H	55.1	Low	63.4	Low	27 Å²	27	68.9 Å²	68.9	13%	0.125	31%	0.313	C	S	.	.			trans	-135.7	7.2	164.4	-93	59.2	0	0	0	114.1	E180 I205 K206 A207	E180-H203 HydrophobicContact CB-CB 4.17Å; E180-H203 HydrophobicContact CG-CB 3.94Å; E180-H203 IonicContact OE1-CD2 3.22Å; E180-H203 PolarHBondContact OE1-CD2 2.84Å; E180-H203 VanDerWaalsContact OE1-CD2 3.24Å; E180-H203 IonicContact OE1-NE2 2.61Å; E180-H203 PolarHBondContact OE1-NE2 2.95Å; E180-H203 IonicContact OE2-CD2 2.75Å; E180-H203 PolarHBondContact OE2-CD2 2.89Å; H203-I205 VanDerWaalsContact C-N 3.31Å; H203-I205 PolarHBondContact O-N 3.29Å; H203-K206 HydrophobicContact CB-CB 4.42Å; H203-K206 WeakPolarHBondContact CD2-CD 3.26Å; H203-K206 WeakPolarHBondContact NE2-CD 3.18Å; H203-K206 PolarHBondContact NE2-NZ 2.87Å; H203-K206 CarbonylContact O-C 3.37Å; H203-K206 WeakPolarHBondContact O-CA 3.3Å; H203-K206 WeakPolarHBondContact O-CB 3.41Å; H203-K206 PolarHBondContact O-N 2.82Å; H203-K206 VanDerWaalsContact O-N 3.07Å; H203-A207 PolarHBondContact O-N 3.38Å
204	F	52.4	Low	60.7	Low	41 Å²	41	71 Å²	71	18%	0.18	33%	0.331	C	S	.	.	H	α-helix	trans	-55.9	-46.9	-178.4	172	-103.3	0	0	0	112.4	K206 A207 L208 L262 H271	F204-K206 VanDerWaalsContact C-N 3.34Å; F204-K206 PolarHBondContact O-N 2.93Å; F204-A207 WeakPolarHBondContact O-CA 3.35Å; F204-A207 VanDerWaalsContact O-CB 3.27Å; F204-A207 WeakPolarHBondContact O-CB 3.12Å; F204-A207 PolarHBondContact O-N 3.03Å; F204-L208 HydrophobicContact CE1-CD1 3.43Å; F204-L208 VanDerWaalsContact CE1-CD1 3.43Å; F204-L208 HydrophobicContact CE1-CG 3.9Å; F204-L208 HydrophobicContact CE2-CD1 4.46Å; F204-L208 HydrophobicContact CE2-CD2 4.5Å; F204-L208 HydrophobicContact CE2-CG 4.06Å; F204-L208 HydrophobicContact CZ-CD1 3.38Å; F204-L208 HydrophobicContact CZ-CD2 3.92Å; F204-L208 HydrophobicContact CZ-CG 3.4Å; F204-L208 PolarHBondContact O-N 3.02Å; F204-L208 VanDerWaalsContact O-N 3.14Å; F204-L262 HydrophobicContact CD1-CD1 4.36Å; F204-H271 AromaticContact CD1-CD2 3.26Å; F204-H271 WeakPolarHBondContact CD1-CD2 3.3Å; F204-H271 AromaticContact CD1-CG 3.83Å; F204-H271 AromaticContact CD1-NE2 3.47Å; F204-H271 WeakPolarHBondContact CD1-NE2 3.43Å; F204-H271 HydrophobicContact CD2-CB 3.5Å; F204-H271 AromaticContact CD2-CD2 3.56Å; F204-H271 AromaticContact CD2-CG 3.21Å; F204-H271 AromaticContact CD2-ND1 3.7Å; F204-H271 AromaticContact CE1-CD2 3.37Å; F204-H271 WeakPolarHBondContact CE1-CD2 3.26Å; F204-H271 AromaticContact CE1-CE1 3.35Å; F204-H271 WeakPolarHBondContact CE1-CE1 3.4Å; F204-H271 AromaticContact CE1-CG 3.81Å; F204-H271 AromaticContact CE1-ND1 3.8Å; F204-H271 AromaticContact CE1-NE2 3.08Å; F204-H271 WeakPolarHBondContact CE1-NE2 3.24Å; F204-H271 HydrophobicContact CE2-CB 3.84Å; F204-H271 AromaticContact CE2-CD2 3.68Å; F204-H271 AromaticContact CE2-CE1 3.56Å; F204-H271 AromaticContact CE2-CG 3.2Å; F204-H271 AromaticContact CE2-ND1 3.13Å; F204-H271 WeakPolarHBondContact CE2-ND1 3.44Å; F204-H271 AromaticContact CE2-NE2 3.9Å; F204-H271 HydrophobicContact CG-CB 4.03Å; F204-H271 AromaticContact CG-CD2 3.37Å; F204-H271 WeakPolarHBondContact CG-CD2 3.01Å; F204-H271 AromaticContact CG-CG 3.56Å; F204-H271 AromaticContact CZ-CD2 3.59Å; F204-H271 AromaticContact CZ-CE1 3.05Å; F204-H271 WeakPolarHBondContact CZ-CE1 3.22Å; F204-H271 AromaticContact CZ-CG 3.51Å; F204-H271 AromaticContact CZ-ND1 3.18Å; F204-H271 WeakPolarHBondContact CZ-ND1 3.37Å; F204-H271 AromaticContact CZ-NE2 3.33Å; F204-H271 VanDerWaalsContact CZ-NE2 3.33Å; F204-H271 WeakPolarHBondContact CZ-NE2 3.25Å
205	I	55.8	Low	57.6	Low	12 Å²	12	76 Å²	76	6%	0.062	37%	0.367	C	S	.	.	H	α-helix	trans	-58.9	-45.7	177.3	-65.4	178	0	0	0	110.9	H203 A207 L208 I209 A255 L258 D259 L262	H203-I205 VanDerWaalsContact C-N 3.31Å; H203-I205 PolarHBondContact O-N 3.29Å; I205-A207 PolarHBondContact O-N 2.93Å; I205-L208 PolarHBondContact O-N 2.97Å; I205-I209 HydrophobicContact CG2-CD1 3.82Å; I205-I209 VanDerWaalsContact O-CD1 3.25Å; I205-I209 WeakPolarHBondContact O-CD1 3.27Å; I205-I209 VanDerWaalsContact O-CG1 3.3Å; I205-I209 WeakPolarHBondContact O-CG1 3.43Å; I205-I209 PolarHBondContact O-N 3.47Å; I205-A255 HydrophobicContact CG2-CB 3.5Å; I205-A255 WeakPolarHBondContact CG2-O 3.33Å; I205-L258 HydrophobicContact CD1-CB 4.36Å; I205-L258 HydrophobicContact CG1-CB 4.19Å; I205-L258 HydrophobicContact CG2-CB 3.97Å; I205-L258 HydrophobicContact CG2-CD1 3.98Å; I205-D259 VanDerWaalsContact CD1-CA 3.47Å; I205-D259 HydrophobicContact CD1-CB 3.49Å; I205-D259 VanDerWaalsContact CD1-CB 3.49Å; I205-D259 VanDerWaalsContact CD1-OD1 3.26Å; I205-D259 WeakPolarHBondContact CD1-OD1 3.46Å; I205-L262 HydrophobicContact CD1-CD1 4.13Å; I205-L262 HydrophobicContact CG1-CD1 4.08Å
206	K	51.1	Low	54.6	Low	116 Å²	116	79.8 Å²	79.8	50%	0.504	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-27.9	173	-82.9	180	170.6	-167.8	0	113.3	H203 F204 I209 K210	H203-K206 HydrophobicContact CB-CB 4.42Å; H203-K206 WeakPolarHBondContact CD2-CD 3.26Å; H203-K206 WeakPolarHBondContact NE2-CD 3.18Å; H203-K206 PolarHBondContact NE2-NZ 2.87Å; H203-K206 CarbonylContact O-C 3.37Å; H203-K206 WeakPolarHBondContact O-CA 3.3Å; H203-K206 WeakPolarHBondContact O-CB 3.41Å; H203-K206 PolarHBondContact O-N 2.82Å; H203-K206 VanDerWaalsContact O-N 3.07Å; F204-K206 VanDerWaalsContact C-N 3.34Å; F204-K206 PolarHBondContact O-N 2.93Å; K206-I209 PolarHBondContact O-N 2.79Å; K206-K210 PolarHBondContact O-N 2.91Å
207	A	49.4	Very low	51.6	Low	27 Å²	27	84.3 Å²	84.3	22%	0.223	41%	0.409	C	S	.	.	H	α-helix	trans	-72.2	-33.6	177	0	0	0	0	0	112.8	T182 H203 F204 I205 I209	T182-A207 HydrophobicContact CG2-CB 3.43Å; T182-A207 VanDerWaalsContact CG2-CB 3.43Å; H203-A207 PolarHBondContact O-N 3.38Å; F204-A207 WeakPolarHBondContact O-CA 3.35Å; F204-A207 VanDerWaalsContact O-CB 3.27Å; F204-A207 WeakPolarHBondContact O-CB 3.12Å; F204-A207 PolarHBondContact O-N 3.03Å; I205-A207 PolarHBondContact O-N 2.93Å; A207-I209 VanDerWaalsContact C-N 3.27Å
208	L	50.2	Low	48.5	Very low	58 Å²	58	92.9 Å²	92.9	30%	0.304	45%	0.446	S	S	.	.	H	α-helix	trans	-65.5	-31.4	167.8	-76	175.6	0	0	0	112.4	F204 I205 L258	F204-L208 HydrophobicContact CE1-CD1 3.43Å; F204-L208 VanDerWaalsContact CE1-CD1 3.43Å; F204-L208 HydrophobicContact CE1-CG 3.9Å; F204-L208 HydrophobicContact CE2-CD1 4.46Å; F204-L208 HydrophobicContact CE2-CD2 4.5Å; F204-L208 HydrophobicContact CE2-CG 4.06Å; F204-L208 HydrophobicContact CZ-CD1 3.38Å; F204-L208 HydrophobicContact CZ-CD2 3.92Å; F204-L208 HydrophobicContact CZ-CG 3.4Å; F204-L208 PolarHBondContact O-N 3.02Å; F204-L208 VanDerWaalsContact O-N 3.14Å; I205-L208 PolarHBondContact O-N 2.97Å; L208-L258 HydrophobicContact CB-CD1 4.17Å; L208-L258 HydrophobicContact CD1-CD1 3.77Å; L208-L258 HydrophobicContact CD1-CD2 3.79Å; L208-L258 HydrophobicContact CD1-CG 4.43Å
209	I	52.4	Low	45.5	Very low	30 Å²	30	98.2 Å²	98.2	15%	0.154	47%	0.473	C	S	.	.	H	α-helix	trans	-87.4	-20.2	-173.5	-67	161.6	0	0	0	112.8	I205 K206 A207 P211 A251 I254 A255 L258	I205-I209 HydrophobicContact CG2-CD1 3.82Å; I205-I209 VanDerWaalsContact O-CD1 3.25Å; I205-I209 WeakPolarHBondContact O-CD1 3.27Å; I205-I209 VanDerWaalsContact O-CG1 3.3Å; I205-I209 WeakPolarHBondContact O-CG1 3.43Å; I205-I209 PolarHBondContact O-N 3.47Å; K206-I209 PolarHBondContact O-N 2.79Å; A207-I209 VanDerWaalsContact C-N 3.27Å; I209-P211 WeakPolarHBondContact O-CD 3.46Å; I209-A251 WeakPolarHBondContact CD1-O 3.22Å; I209-A251 HydrophobicContact CG2-CB 3.43Å; I209-A251 VanDerWaalsContact CG2-CB 3.43Å; I209-I254 HydrophobicContact CD1-CG2 4.43Å; I209-I254 HydrophobicContact CG1-CG2 4.15Å; I209-A255 HydrophobicContact CD1-CB 3.48Å; I209-A255 VanDerWaalsContact CD1-CB 3.48Å; I209-L258 HydrophobicContact CD1-CD1 4.37Å; I209-L258 HydrophobicContact CG1-CD1 4.4Å
210	K	43.3	Very low	42.7	Very low	108 Å²	108	103.6 Å²	103.6	47%	0.47	51%	0.506	S	S	.	.	S	Bend	trans	-61.9	122.7	172.6	-80.4	178.5	-174.4	176.3	0	109.4	E180 K206 R212	E180-K210 IonicContact OE2-NZ 2.68Å; E180-K210 PolarHBondContact OE2-NZ 3.44Å; K206-K210 PolarHBondContact O-N 2.91Å; K210-R212 VanDerWaalsContact C-N 3.32Å; K210-R212 PolarHBondContact O-N 2.97Å
211	P	32.2	Very low	40.4	Very low	110 Å²	110	109.1 Å²	109.1	71%	0.714	54%	0.535	S	S	*	.			trans	-72.2	82.9	-174.8	29.2	-35.8	0	0	0	111.4	I209	I209-P211 WeakPolarHBondContact O-CD 3.46Å
212	R	34.8	Very low	38.7	Very low	187 Å²	187	110.6 Å²	110.6	71%	0.706	55%	0.545	S	S	*	.			trans	-64.1	147.6	170.8	-85.1	-177	163.1	166.4	-2	110.1	K210 V214	K210-R212 VanDerWaalsContact C-N 3.32Å; K210-R212 PolarHBondContact O-N 2.97Å; R212-V214 HydrophobicContact CB-CG2 3.87Å; R212-V214 PolarHBondContact O-N 2.98Å
213	K	32.3	Very low	37.3	Very low	212 Å²	212	110.1 Å²	110.1	92%	0.922	55%	0.551	S	S	*	*			trans	-68.2	74.3	167.7	-71.8	179	175.8	177	0	109.6
214	V	30	Very low	35.8	Very low	115 Å²	115	116.9 Å²	116.9	70%	0.697	59%	0.589	S	S	*	*			trans	-99.5	116.1	171.5	-171.1	0	0	0	0	107.9	R212	R212-V214 HydrophobicContact CB-CG2 3.87Å; R212-V214 PolarHBondContact O-N 2.98Å
215	S	26.2	Very low	34.7	Very low	107 Å²	107	119.8 Å²	119.8	75%	0.748	61%	0.614	S	S	*	*			trans	-96.7	117.7	176.4	52.6	0	0	0	0	109.8
216	K	26.9	Very low	33.2	Very low	190 Å²	190	125.3 Å²	125.3	83%	0.826	65%	0.649	S	S	*	*			trans	74.2	126.6	-177.2	-49.3	172.2	178.9	178.5	0	114.5
217	V	29.9	Very low	32.2	Very low	108 Å²	108	127.2 Å²	127.2	66%	0.655	66%	0.664	S	S	*	*				-167.7	-164.2	114.2	152.2	0	0	0	0	106.3	E237	V217-E237 WeakPolarHBondContact CA-OE1 3.41Å; V217-E237 WeakPolarHBondContact CB-OE1 3.4Å; V217-E237 VanDerWaalsContact CG1-OE1 3.3Å; V217-E237 WeakPolarHBondContact CG1-OE1 3.42Å; V217-E237 PolarHBondContact N-OE1 3.07Å
218	K	27.5	Very low	31.2	Very low	180 Å²	180	134.6 Å²	134.6	78%	0.783	69%	0.694	S	S	*	*			trans	-126.2	142.5	-164.8	-68.1	175.9	174.4	179.1	0	112.1	E237	K218-E237 WeakPolarHBondContact CA-OE2 3.48Å; K218-E237 PolarHBondContact N-OE1 2.93Å; K218-E237 PolarHBondContact N-OE2 3.47Å
219	M	25.6	Very low	30.1	Very low	149 Å²	149	137.1 Å²	137.1	73%	0.734	72%	0.723	S	S	*	*			trans	-59.8	141.1	164.7	-73.3	-131.6	-62	0	0	112.6	E237	M219-E237 PolarHBondContact N-OE2 3Å
220	V	26.9	Very low	29	Very low	124 Å²	124	138.3 Å²	138.3	75%	0.752	74%	0.743	S	S	*	*			trans	-122.2	134.9	165.5	177.4	0	0	0	0	108.2
221	N	25.6	Very low	28.2	Very low	125 Å²	125	140 Å²	140	67%	0.668	76%	0.757	S	S	*	*			trans	-71.8	127.4	175	-68.8	-23.6	0	0	0	109.7	I223	N221-I223 HydrophobicContact CB-CD1 4.46Å; N221-I223 HydrophobicContact CB-CG1 4.17Å; N221-I223 PolarHBondContact O-N 3Å; N221-I223 VanDerWaalsContact O-N 3.11Å
222	F	28.3	Very low	28	Very low	153 Å²	153	141.1 Å²	141.1	67%	0.671	76%	0.757	S	S	*	*			trans	-72.3	99.7	162.1	-72	-91.7	0	0	0	108	I234	F222-I234 HydrophobicContact CE1-CD1 4.43Å; F222-I234 HydrophobicContact CZ-CG2 3.92Å
223	I	27.1	Very low	27.7	Very low	133 Å²	133	137.3 Å²	137.3	68%	0.682	75%	0.751	S	S	*	*			trans	-105.5	133	166.1	-63.7	176.5	0	0	0	106.3	N221 S225	N221-I223 HydrophobicContact CB-CD1 4.46Å; N221-I223 HydrophobicContact CB-CG1 4.17Å; N221-I223 PolarHBondContact O-N 3Å; N221-I223 VanDerWaalsContact O-N 3.11Å; I223-S225 PolarHBondContact O-N 3.24Å; I223-S225 VanDerWaalsContact O-N 3.12Å
224	D	24.7	Very low	27.6	Very low	170 Å²	170	130.5 Å²	130.5	91%	0.909	72%	0.724	S	S	*	*			trans	-62	111.6	175.1	-67	-55.2	0	0	0	110.2
225	S	28.5	Very low	27.6	Very low	102 Å²	102	130.3 Å²	130.3	71%	0.713	72%	0.723	S	S	*	*			trans	-148.5	116.9	160.1	54.6	0	0	0	0	109	I223 D227	I223-S225 PolarHBondContact O-N 3.24Å; I223-S225 VanDerWaalsContact O-N 3.12Å; S225-D227 PolarHBondContact O-N 2.93Å
226	T	25.4	Very low	27.9	Very low	128 Å²	128	127.7 Å²	127.7	79%	0.785	70%	0.7	S	S	*	*			trans	-47.4	126.3	152.6	47	0	0	0	0	109.1
227	D	30.2	Very low	28.4	Very low	156 Å²	156	122.2 Å²	122.2	83%	0.834	68%	0.677	S	S	*	*			trans	-178.8	166.5	134.7	-87.9	-14.6	0	0	0	111.7	S225	S225-D227 PolarHBondContact O-N 2.93Å
228	E	27.8	Very low	28.6	Very low	181 Å²	181	119.7 Å²	119.7	85%	0.846	66%	0.662	S	S	*	*			trans	-69.1	157.4	-156.3	-54.1	177.5	140.9	0	0	116.6
229	A	27.7	Very low	28.8	Very low	111 Å²	111	117.7 Å²	117.7	92%	0.917	66%	0.66	S	S	*	*			trans	50.9	70.8	149.7	0	0	0	0	0	118.7
230	G	28.9	Very low	29	Very low	55 Å²	55	119 Å²	119	57%	0.567	66%	0.662	S	S	*	*			trans	-147.3	140.7	168.1	0	0	0	0	0	113.5	N232	G230-N232 VanDerWaalsContact C-N 3.29Å; G230-N232 PolarHBondContact O-N 3.1Å
231	D	26.7	Very low	29.3	Very low	145 Å²	145	116 Å²	116	78%	0.775	64%	0.644	S	S	*	*			trans	-76.1	73.5	-174.2	-154	9.5	0	0	0	111.8	N233	D231-N233 VanDerWaalsContact C-N 3.31Å; D231-N233 PolarHBondContact O-N 3.28Å
232	N	26.9	Very low	29.8	Very low	133 Å²	133	121.1 Å²	121.1	71%	0.711	65%	0.654	S	S	*	*			trans	-73.8	77.5	-174	-78.4	-22.6	0	0	0	112.7	G230 I234	G230-N232 VanDerWaalsContact C-N 3.29Å; G230-N232 PolarHBondContact O-N 3.1Å; N232-I234 VanDerWaalsContact C-N 3.3Å; N232-I234 PolarHBondContact O-N 3Å
233	N	28.4	Very low	30	Very low	106 Å²	106	122.2 Å²	122.2	57%	0.567	66%	0.659	S	S	*	*			trans	-66.5	86.4	160.3	-84.5	-55.3	0	0	0	110.1	D231 T235	D231-N233 VanDerWaalsContact C-N 3.31Å; D231-N233 PolarHBondContact O-N 3.28Å; N233-T235 PolarHBondContact O-N 3.46Å
234	I	30.6	Very low	30.6	Very low	70 Å²	70	118.6 Å²	118.6	36%	0.359	65%	0.645	S	S	.	*			trans	-70.1	91.3	175.9	-58.8	173	0	0	0	109.5	F222 N232 I236	F222-I234 HydrophobicContact CE1-CD1 4.43Å; F222-I234 HydrophobicContact CZ-CG2 3.92Å; N232-I234 VanDerWaalsContact C-N 3.3Å; N232-I234 PolarHBondContact O-N 3Å; I234-I236 HydrophobicContact CG2-CD1 4.22Å; I234-I236 HydrophobicContact CG2-CG1 3.91Å
235	T	29.5	Very low	31.3	Very low	111 Å²	111	114.1 Å²	114.1	68%	0.681	62%	0.621	S	S	*	*			trans	-85.6	113.7	168.5	48.3	0	0	0	0	110.2	N233	N233-T235 PolarHBondContact O-N 3.46Å
236	I	33.4	Very low	31.8	Very low	51 Å²	51	113.1 Å²	113.1	26%	0.262	61%	0.61	S	S	.	*			trans	-90.8	113.7	-179	-66.5	172.1	0	0	0	109.6	I234 L258 L261 M267	I234-I236 HydrophobicContact CG2-CD1 4.22Å; I234-I236 HydrophobicContact CG2-CG1 3.91Å; I236-L258 HydrophobicContact CD1-CD2 3.34Å; I236-L261 HydrophobicContact CD1-CD1 4.4Å; I236-M267 HydrophobicContact CD1-SD 3.69Å
237	E	36.5	Very low	32.6	Very low	75 Å²	75	108.3 Å²	108.3	35%	0.35	58%	0.583	S	S	.	*			trans	-90.7	120.5	-179.8	-61.5	-169.4	134.5	0	0	111.5	V217 K218 M219	V217-E237 WeakPolarHBondContact CA-OE1 3.41Å; V217-E237 WeakPolarHBondContact CB-OE1 3.4Å; V217-E237 VanDerWaalsContact CG1-OE1 3.3Å; V217-E237 WeakPolarHBondContact CG1-OE1 3.42Å; V217-E237 PolarHBondContact N-OE1 3.07Å; K218-E237 WeakPolarHBondContact CA-OE2 3.48Å; K218-E237 PolarHBondContact N-OE1 2.93Å; K218-E237 PolarHBondContact N-OE2 3.47Å; M219-E237 PolarHBondContact N-OE2 3Å
238	V	34.5	Very low	33	Very low	56 Å²	56	107.6 Å²	107.6	34%	0.339	58%	0.575	S	S	.	*			trans	-100.6	111.5	170.9	-173.1	0	0	0	0	108.7	I254	V238-I254 HydrophobicContact CG1-CD1 3.81Å; V238-I254 HydrophobicContact CG2-CD1 4.06Å; V238-I254 HydrophobicContact CG2-CG2 4.19Å
239	N	31.5	Very low	33.6	Very low	138 Å²	138	104.4 Å²	104.4	74%	0.738	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-56.9	140	172.5	-91.3	-44.4	0	0	0	110.4	P241	N239-P241 WeakPolarHBondContact O-CD 3.42Å; N239-P241 VanDerWaalsContact O-N 3.08Å
240	K	30	Very low	34.7	Very low	177 Å²	177	102 Å²	102	77%	0.77	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-52.7	116.7	173.3	-82.7	-177.2	176.6	176.5	0	110	R242	K240-R242 PolarHBondContact O-N 2.94Å
241	P	33.8	Very low	35.4	Very low	59 Å²	59	100.5 Å²	100.5	38%	0.383	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-68.4	133.7	166.5	29.6	-32.2	0	0	0	108.3	N239 A247	N239-P241 WeakPolarHBondContact O-CD 3.42Å; N239-P241 VanDerWaalsContact O-N 3.08Å; P241-A247 HydrophobicContact CB-CB 3.51Å; P241-A247 HydrophobicContact CG-CB 3.5Å; P241-A247 VanDerWaalsContact CG-CB 3.5Å
242	R	35.6	Very low	36.8	Very low	233 Å²	233	98.1 Å²	98.1	88%	0.879	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-65.9	139.5	167	-71.3	177.7	172.9	168.7	-2.7	107.8	K240 S244	K240-R242 PolarHBondContact O-N 2.94Å; R242-S244 WeakPolarHBondContact O-CB 3.42Å; R242-S244 PolarHBondContact O-N 2.95Å
243	K	33.2	Very low	38.3	Very low	177 Å²	177	95.1 Å²	95.1	77%	0.77	49%	0.492	S	S	*	.	S	Bend	trans	-38.5	104.2	176.8	-72	-172.2	176.3	-171.4	0	111.3
244	S	38.3	Very low	39.8	Very low	56 Å²	56	92.3 Å²	92.3	39%	0.392	48%	0.476	S	S	.	.	S	Bend	trans	179.7	147.9	-173.7	-178	0	0	0	0	108.6	D73 R242 V246 A247	D73-S244 PolarHBondContact OD2-N 3.04Å; R242-S244 WeakPolarHBondContact O-CB 3.42Å; R242-S244 PolarHBondContact O-N 2.95Å; S244-V246 PolarHBondContact O-N 3.14Å; S244-A247 WeakPolarHBondContact O-CB 3.36Å; S244-A247 PolarHBondContact O-N 3.1Å
245	I	39.4	Very low	41.2	Very low	77 Å²	77	90.1 Å²	90.1	40%	0.395	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.2	177.1	-67.1	161	0	0	0	112.5	A247 E248 P1041	I245-A247 PolarHBondContact O-N 3.33Å; I245-E248 PolarHBondContact O-N 2.91Å; I245-P1041 HydrophobicContact CD1-CB 4.25Å
246	V	39.4	Very low	43	Very low	81 Å²	81	90.7 Å²	90.7	49%	0.491	46%	0.463	S	S	.	.	H	α-helix	trans	-54.1	-23.8	173.3	-177	0	0	0	0	113	S244 T250	S244-V246 PolarHBondContact O-N 3.14Å; V246-T250 HydrophobicContact CG1-CG2 4.26Å; V246-T250 WeakPolarHBondContact O-CB 3.49Å; V246-T250 WeakPolarHBondContact O-CG2 3.46Å; V246-T250 PolarHBondContact O-N 3.18Å; V246-T250 VanDerWaalsContact O-N 3.1Å; V246-T250 PolarHBondContact O-OG1 3.21Å
247	A	41.9	Very low	44.6	Very low	26 Å²	26	96.2 Å²	96.2	22%	0.215	48%	0.481	C	S	.	.	H	α-helix	trans	-60.7	-40.2	174.8	0	0	0	0	0	113.4	P241 S244 I245 T250 A251	P241-A247 HydrophobicContact CB-CB 3.51Å; P241-A247 HydrophobicContact CG-CB 3.5Å; P241-A247 VanDerWaalsContact CG-CB 3.5Å; S244-A247 WeakPolarHBondContact O-CB 3.36Å; S244-A247 PolarHBondContact O-N 3.1Å; I245-A247 PolarHBondContact O-N 3.33Å; A247-T250 PolarHBondContact O-OG1 3.17Å; A247-A251 WeakPolarHBondContact O-CB 3.47Å; A247-A251 PolarHBondContact O-N 3.02Å
248	E	38.2	Very low	46	Very low	141 Å²	141	92.8 Å²	92.8	66%	0.659	47%	0.465	S	S	*	.	H	α-helix	trans	-80.7	-37.3	-176.5	-69.2	-171.3	136.9	0	0	111.4	I245 A251 I252	I245-E248 PolarHBondContact O-N 2.91Å; E248-A251 WeakPolarHBondContact O-CB 3.33Å; E248-A251 PolarHBondContact O-N 2.82Å; E248-I252 WeakPolarHBondContact O-CB 3.31Å; E248-I252 WeakPolarHBondContact O-CD1 3.26Å; E248-I252 VanDerWaalsContact O-CG1 3.23Å; E248-I252 WeakPolarHBondContact O-CG1 3.36Å; E248-I252 PolarHBondContact O-N 3.13Å
249	E	42.1	Very low	47.7	Very low	115 Å²	115	91.5 Å²	91.5	54%	0.537	46%	0.456	S	S	.	.	H	α-helix	trans	-65.3	-43.9	175.4	-66.1	176.3	162.3	0	0	111.7	I252 S253	E249-I252 PolarHBondContact O-N 2.99Å; E249-S253 WeakPolarHBondContact O-CB 3.2Å; E249-S253 PolarHBondContact O-N 3.01Å
250	T	50.8	Low	49.7	Very low	61 Å²	61	89 Å²	89	37%	0.374	45%	0.446	S	S	.	.	H	α-helix	trans	-67.1	-38.7	174.3	48.9	0	0	0	0	112	V246 A247 S253 I254	V246-T250 HydrophobicContact CG1-CG2 4.26Å; V246-T250 WeakPolarHBondContact O-CB 3.49Å; V246-T250 WeakPolarHBondContact O-CG2 3.46Å; V246-T250 PolarHBondContact O-N 3.18Å; V246-T250 VanDerWaalsContact O-N 3.1Å; V246-T250 PolarHBondContact O-OG1 3.21Å; A247-T250 PolarHBondContact O-OG1 3.17Å; T250-S253 PolarHBondContact O-N 3.3Å; T250-I254 WeakPolarHBondContact O-CB 3.37Å; T250-I254 WeakPolarHBondContact O-CD1 3.1Å; T250-I254 WeakPolarHBondContact O-CG1 3.45Å; T250-I254 PolarHBondContact O-N 3.16Å
251	A	43.7	Very low	51.7	Low	22 Å²	22	82.2 Å²	82.2	18%	0.182	42%	0.418	C	S	.	.	H	α-helix	trans	-58.5	-47.2	171.5	0	0	0	0	0	112.5	I209 A247 E248 I254 A255	I209-A251 WeakPolarHBondContact CD1-O 3.22Å; I209-A251 HydrophobicContact CG2-CB 3.43Å; I209-A251 VanDerWaalsContact CG2-CB 3.43Å; A247-A251 WeakPolarHBondContact O-CB 3.47Å; A247-A251 PolarHBondContact O-N 3.02Å; E248-A251 WeakPolarHBondContact O-CB 3.33Å; E248-A251 PolarHBondContact O-N 2.82Å; A251-I254 PolarHBondContact O-N 3.4Å; A251-A255 WeakPolarHBondContact O-CB 3.19Å; A251-A255 PolarHBondContact O-N 2.91Å
252	I	55.7	Low	53.5	Low	95 Å²	95	79.5 Å²	79.5	49%	0.487	40%	0.4	S	S	.	.	H	α-helix	trans	-65.8	-44.8	179	-69.1	162.5	0	0	0	110.7	E248 E249 I254 A255 E256	E248-I252 WeakPolarHBondContact O-CB 3.31Å; E248-I252 WeakPolarHBondContact O-CD1 3.26Å; E248-I252 VanDerWaalsContact O-CG1 3.23Å; E248-I252 WeakPolarHBondContact O-CG1 3.36Å; E248-I252 PolarHBondContact O-N 3.13Å; E249-I252 PolarHBondContact O-N 2.99Å; I252-I254 VanDerWaalsContact C-N 3.35Å; I252-I254 PolarHBondContact O-N 3.28Å; I252-A255 CarbonylContact O-C 3.38Å; I252-A255 WeakPolarHBondContact O-CA 3.45Å; I252-A255 VanDerWaalsContact O-CB 3.26Å; I252-A255 WeakPolarHBondContact O-CB 3.38Å; I252-A255 PolarHBondContact O-N 2.81Å; I252-E256 HydrophobicContact CG2-CG 4.37Å; I252-E256 WeakPolarHBondContact O-CG 3.39Å; I252-E256 PolarHBondContact O-N 3.46Å
253	S	57.4	Low	55.3	Low	71 Å²	71	73.8 Å²	73.8	50%	0.497	38%	0.379	S	S	.	.	H	α-helix	trans	-61.9	-40.9	177	-178	0	0	0	0	112.5	E249 T250 A255 R257	E249-S253 WeakPolarHBondContact O-CB 3.2Å; E249-S253 PolarHBondContact O-N 3.01Å; T250-S253 PolarHBondContact O-N 3.3Å; S253-A255 VanDerWaalsContact C-N 3.32Å; S253-R257 VanDerWaalsContact O-CB 3.29Å; S253-R257 WeakPolarHBondContact O-CB 3.43Å; S253-R257 PolarHBondContact O-N 2.69Å
254	I	59.8	Low	57.2	Low	47 Å²	47	66.7 Å²	66.7	24%	0.241	35%	0.351	C	S	.	.	H	α-helix	trans	-65.4	-37.7	172.1	-68.5	165.1	0	0	0	110.2	I209 V238 T250 A251 I252 R257 L258	I209-I254 HydrophobicContact CD1-CG2 4.43Å; I209-I254 HydrophobicContact CG1-CG2 4.15Å; V238-I254 HydrophobicContact CG1-CD1 3.81Å; V238-I254 HydrophobicContact CG2-CD1 4.06Å; V238-I254 HydrophobicContact CG2-CG2 4.19Å; T250-I254 WeakPolarHBondContact O-CB 3.37Å; T250-I254 WeakPolarHBondContact O-CD1 3.1Å; T250-I254 WeakPolarHBondContact O-CG1 3.45Å; T250-I254 PolarHBondContact O-N 3.16Å; A251-I254 PolarHBondContact O-N 3.4Å; I252-I254 VanDerWaalsContact C-N 3.35Å; I252-I254 PolarHBondContact O-N 3.28Å; I254-R257 PolarHBondContact O-N 3Å; I254-L258 HydrophobicContact CG2-CD1 3.73Å; I254-L258 HydrophobicContact CG2-CG 4.2Å; I254-L258 WeakPolarHBondContact O-CB 3.5Å; I254-L258 WeakPolarHBondContact O-CD1 3.33Å; I254-L258 WeakPolarHBondContact O-CG 3.4Å; I254-L258 PolarHBondContact O-N 2.8Å
255	A	60.8	Low	58.7	Low	23 Å²	23	65.8 Å²	65.8	19%	0.19	35%	0.351	C	S	.	.	H	α-helix	trans	-62.2	-49.8	177.3	0	0	0	0	0	112.3	I205 I209 A251 I252 S253 R257 L258 D259	I205-A255 HydrophobicContact CG2-CB 3.5Å; I205-A255 WeakPolarHBondContact CG2-O 3.33Å; I209-A255 HydrophobicContact CD1-CB 3.48Å; I209-A255 VanDerWaalsContact CD1-CB 3.48Å; A251-A255 WeakPolarHBondContact O-CB 3.19Å; A251-A255 PolarHBondContact O-N 2.91Å; I252-A255 CarbonylContact O-C 3.38Å; I252-A255 WeakPolarHBondContact O-CA 3.45Å; I252-A255 VanDerWaalsContact O-CB 3.26Å; I252-A255 WeakPolarHBondContact O-CB 3.38Å; I252-A255 PolarHBondContact O-N 2.81Å; S253-A255 VanDerWaalsContact C-N 3.32Å; A255-R257 VanDerWaalsContact C-N 3.33Å; A255-R257 PolarHBondContact O-N 2.95Å; A255-L258 PolarHBondContact O-N 2.81Å; A255-D259 WeakPolarHBondContact O-CB 3.35Å; A255-D259 PolarHBondContact O-N 3.26Å
256	E	66.4	Low	60.1	Low	123 Å²	123	68.6 Å²	68.6	58%	0.575	36%	0.362	S	S	*	.	H	α-helix	trans	-63.8	-39.8	178.7	-70.3	172.1	168	0	0	111.3	I252 D259 T260	I252-E256 HydrophobicContact CG2-CG 4.37Å; I252-E256 WeakPolarHBondContact O-CG 3.39Å; I252-E256 PolarHBondContact O-N 3.46Å; E256-D259 PolarHBondContact O-N 3.27Å; E256-T260 VanDerWaalsContact O-CB 3.32Å; E256-T260 WeakPolarHBondContact O-CB 3.13Å; E256-T260 PolarHBondContact O-N 2.68Å; E256-T260 PolarHBondContact O-OG1 2.95Å
257	R	67.4	Low	61.5	Low	167 Å²	167	65.5 Å²	65.5	63%	0.63	34%	0.343	S	S	*	.	H	α-helix	trans	-66.1	-41.3	174	-174.9	169	170.3	147.5	-2.3	112.1	S253 I254 A255 T260 L261	S253-R257 VanDerWaalsContact O-CB 3.29Å; S253-R257 WeakPolarHBondContact O-CB 3.43Å; S253-R257 PolarHBondContact O-N 2.69Å; I254-R257 PolarHBondContact O-N 3Å; A255-R257 VanDerWaalsContact C-N 3.33Å; A255-R257 PolarHBondContact O-N 2.95Å; R257-T260 PolarHBondContact O-N 2.96Å; R257-L261 HydrophobicContact CG-CD1 4.37Å; R257-L261 WeakPolarHBondContact O-CB 3.41Å; R257-L261 VanDerWaalsContact O-CG 3.25Å; R257-L261 WeakPolarHBondContact O-CG 3.21Å; R257-L261 PolarHBondContact O-N 3.18Å
258	L	66.3	Low	62.9	Low	3 Å²	3	69.2 Å²	69.2	2%	0.016	35%	0.354	C	S	.	.	H	α-helix	trans	-64.2	-40.9	173.4	-74.1	166.9	0	0	0	112.1	I205 L208 I209 I236 I254 A255 T260 L261 L262 M267	I205-L258 HydrophobicContact CD1-CB 4.36Å; I205-L258 HydrophobicContact CG1-CB 4.19Å; I205-L258 HydrophobicContact CG2-CB 3.97Å; I205-L258 HydrophobicContact CG2-CD1 3.98Å; L208-L258 HydrophobicContact CB-CD1 4.17Å; L208-L258 HydrophobicContact CD1-CD1 3.77Å; L208-L258 HydrophobicContact CD1-CD2 3.79Å; L208-L258 HydrophobicContact CD1-CG 4.43Å; I209-L258 HydrophobicContact CD1-CD1 4.37Å; I209-L258 HydrophobicContact CG1-CD1 4.4Å; I236-L258 HydrophobicContact CD1-CD2 3.34Å; I254-L258 HydrophobicContact CG2-CD1 3.73Å; I254-L258 HydrophobicContact CG2-CG 4.2Å; I254-L258 WeakPolarHBondContact O-CB 3.5Å; I254-L258 WeakPolarHBondContact O-CD1 3.33Å; I254-L258 WeakPolarHBondContact O-CG 3.4Å; I254-L258 PolarHBondContact O-N 2.8Å; A255-L258 PolarHBondContact O-N 2.81Å; L258-T260 VanDerWaalsContact C-N 3.29Å; L258-T260 PolarHBondContact O-N 3.08Å; L258-L261 PolarHBondContact O-N 3.03Å; L258-L262 WeakPolarHBondContact O-CG 3.37Å; L258-L262 PolarHBondContact O-N 2.82Å; L258-M267 HydrophobicContact CD2-CE 3.79Å; L258-M267 HydrophobicContact CD2-SD 4.16Å
259	D	70.9	Confident	64.4	Low	30 Å²	30	62.6 Å²	62.6	16%	0.16	32%	0.323	C	S	.	.	H	α-helix	trans	-64.4	-39.2	176.3	-156.6	55.1	0	0	0	110.2	I205 A255 E256 L262 R263 Q291 Y314	I205-D259 VanDerWaalsContact CD1-CA 3.47Å; I205-D259 HydrophobicContact CD1-CB 3.49Å; I205-D259 VanDerWaalsContact CD1-CB 3.49Å; I205-D259 VanDerWaalsContact CD1-OD1 3.26Å; I205-D259 WeakPolarHBondContact CD1-OD1 3.46Å; A255-D259 WeakPolarHBondContact O-CB 3.35Å; A255-D259 PolarHBondContact O-N 3.26Å; E256-D259 PolarHBondContact O-N 3.27Å; D259-L262 PolarHBondContact O-N 3.43Å; D259-R263 WeakPolarHBondContact O-CB 3.27Å; D259-R263 WeakPolarHBondContact O-CG 3.45Å; D259-R263 PolarHBondContact O-N 3.39Å; D259-R263 IonicContact OD1-NE 3.61Å; D259-R263 IonicContact OD2-CZ 2.77Å; D259-R263 IonicContact OD2-NE 2.76Å; D259-R263 PolarHBondContact OD2-NE 2.9Å; D259-R263 IonicContact OD2-NH2 3.16Å; D259-R263 PolarHBondContact OD2-NH2 2.98Å; D259-Q291 PolarHBondContact OD1-NE2 3.36Å; D259-Y314 PolarHBondContact OD1-OH 3.05Å; D259-Y314 VanDerWaalsContact OD1-OH 3.09Å
260	T	72	Confident	65.5	Low	84 Å²	84	62.9 Å²	62.9	52%	0.515	32%	0.32	S	S	.	.	H	α-helix	trans	-67.5	-42.9	175.6	-56.3	0	0	0	0	111.4	E256 R257 L258 L262 R263 S264	E256-T260 VanDerWaalsContact O-CB 3.32Å; E256-T260 WeakPolarHBondContact O-CB 3.13Å; E256-T260 PolarHBondContact O-N 2.68Å; E256-T260 PolarHBondContact O-OG1 2.95Å; R257-T260 PolarHBondContact O-N 2.96Å; L258-T260 VanDerWaalsContact C-N 3.29Å; L258-T260 PolarHBondContact O-N 3.08Å; T260-L262 PolarHBondContact O-N 2.9Å; T260-R263 PolarHBondContact O-N 3.27Å; T260-S264 VanDerWaalsContact O-CB 3.24Å; T260-S264 WeakPolarHBondContact O-CB 3.2Å; T260-S264 PolarHBondContact O-N 2.97Å; T260-S264 PolarHBondContact O-OG 2.85Å
261	L	71.9	Confident	66.1	Low	36 Å²	36	62.5 Å²	62.5	19%	0.188	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-36	175.3	-73	171.1	0	0	0	113	I236 R257 L258 S264 G265 Q266 M267	I236-L261 HydrophobicContact CD1-CD1 4.4Å; R257-L261 HydrophobicContact CG-CD1 4.37Å; R257-L261 WeakPolarHBondContact O-CB 3.41Å; R257-L261 VanDerWaalsContact O-CG 3.25Å; R257-L261 WeakPolarHBondContact O-CG 3.21Å; R257-L261 PolarHBondContact O-N 3.18Å; L258-L261 PolarHBondContact O-N 3.03Å; L261-S264 WeakPolarHBondContact CA-OG 3.45Å; L261-S264 PolarHBondContact O-OG 2.81Å; L261-G265 PolarHBondContact O-N 3.29Å; L261-Q266 HydrophobicContact CD2-CB 3.81Å; L261-Q266 PolarHBondContact O-N 2.8Å; L261-M267 HydrophobicContact CB-CB 4.01Å; L261-M267 PolarHBondContact O-N 3.46Å
262	L	71.4	Confident	67.6	Low	1 Å²	1	62.2 Å²	62.2	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-69.5	-47.2	173	-74.9	167.4	0	0	0	111	F204 I205 L258 D259 T260 S264 G265 M267 N293 Y314	F204-L262 HydrophobicContact CD1-CD1 4.36Å; I205-L262 HydrophobicContact CD1-CD1 4.13Å; I205-L262 HydrophobicContact CG1-CD1 4.08Å; L258-L262 WeakPolarHBondContact O-CG 3.37Å; L258-L262 PolarHBondContact O-N 2.82Å; D259-L262 PolarHBondContact O-N 3.43Å; T260-L262 PolarHBondContact O-N 2.9Å; L262-S264 PolarHBondContact O-N 3.29Å; L262-G265 PolarHBondContact O-N 3.35Å; L262-G265 VanDerWaalsContact O-N 3.16Å; L262-M267 HydrophobicContact CD1-CE 4.21Å; L262-M267 HydrophobicContact CD2-CE 3.78Å; L262-M267 HydrophobicContact CG-CE 3.63Å; L262-N293 PolarHBondContact O-ND2 3.19Å; L262-Y314 HydrophobicContact CB-CD2 4.03Å; L262-Y314 HydrophobicContact CB-CE2 4.4Å
263	R	74.6	Confident	68.4	Low	114 Å²	114	58.6 Å²	58.6	43%	0.43	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-35.2	178.4	-73.2	171.2	-166.9	-104.6	9.8	113.4	D259 T260 G265 Y314 R316	D259-R263 WeakPolarHBondContact O-CB 3.27Å; D259-R263 WeakPolarHBondContact O-CG 3.45Å; D259-R263 PolarHBondContact O-N 3.39Å; D259-R263 IonicContact OD1-NE 3.61Å; D259-R263 IonicContact OD2-CZ 2.77Å; D259-R263 IonicContact OD2-NE 2.76Å; D259-R263 PolarHBondContact OD2-NE 2.9Å; D259-R263 IonicContact OD2-NH2 3.16Å; D259-R263 PolarHBondContact OD2-NH2 2.98Å; T260-R263 PolarHBondContact O-N 3.27Å; R263-G265 PolarHBondContact O-N 3.35Å; R263-Y314 HydrophobicContact CG-CD1 3.88Å; R263-Y314 HydrophobicContact CG-CD2 3.99Å; R263-Y314 HydrophobicContact CG-CE1 3.86Å; R263-Y314 HydrophobicContact CG-CE2 3.95Å; R263-Y314 HydrophobicContact CG-CG 3.97Å; R263-Y314 PolarHBondContact NH2-OH 2.59Å; R263-Y314 VanDerWaalsContact NH2-OH 3.09Å; R263-R316 PolarHBondContact O-NE 3.1Å
264	S	71.8	Confident	69.4	Low	27 Å²	27	58.4 Å²	58.4	19%	0.189	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-8	176.5	67.9	0	0	0	0	113	T260 L261 L262 Q266 R316	T260-S264 VanDerWaalsContact O-CB 3.24Å; T260-S264 WeakPolarHBondContact O-CB 3.2Å; T260-S264 PolarHBondContact O-N 2.97Å; T260-S264 PolarHBondContact O-OG 2.85Å; L261-S264 WeakPolarHBondContact CA-OG 3.45Å; L261-S264 PolarHBondContact O-OG 2.81Å; L262-S264 PolarHBondContact O-N 3.29Å; S264-Q266 PolarHBondContact O-N 3.34Å; S264-Q266 WeakPolarHBondContact OG-CB 3.47Å; S264-Q266 VanDerWaalsContact OG-CG 3.26Å; S264-Q266 WeakPolarHBondContact OG-CG 3.4Å; S264-Q266 PolarHBondContact OG-N 2.84Å; S264-Q266 PolarHBondContact OG-OE1 3.28Å; S264-R316 PolarHBondContact O-NH1 2.98Å
265	G	70.7	Confident	70.3	Confident	38 Å²	38	56.3 Å²	56.3	39%	0.392	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	1.6	-173.9	0	0	0	0	0	114.2	L261 L262 R263 M267	L261-G265 PolarHBondContact O-N 3.29Å; L262-G265 PolarHBondContact O-N 3.35Å; L262-G265 VanDerWaalsContact O-N 3.16Å; R263-G265 PolarHBondContact O-N 3.35Å; G265-M267 PolarHBondContact O-N 3.49Å
266	Q	69.6	Low	71.4	Confident	136 Å²	136	55.2 Å²	55.2	64%	0.636	28%	0.276	S	S	*	.	S	Bend	trans	-68.8	-17.5	179.7	-70.9	173.1	-38.3	0	0	113	L261 S264	L261-Q266 HydrophobicContact CD2-CB 3.81Å; L261-Q266 PolarHBondContact O-N 2.8Å; S264-Q266 PolarHBondContact O-N 3.34Å; S264-Q266 WeakPolarHBondContact OG-CB 3.47Å; S264-Q266 VanDerWaalsContact OG-CG 3.26Å; S264-Q266 WeakPolarHBondContact OG-CG 3.4Å; S264-Q266 PolarHBondContact OG-N 2.84Å; S264-Q266 PolarHBondContact OG-OE1 3.28Å
267	M	68.8	Low	72.2	Confident	16 Å²	16	50.1 Å²	50.1	8%	0.079	25%	0.252	C	S	.	.	S	Bend	trans	-129.7	128.8	170.2	-175.3	179.3	66.3	0	0	110.1	I236 L258 L261 L262 G265 N293	I236-M267 HydrophobicContact CD1-SD 3.69Å; L258-M267 HydrophobicContact CD2-CE 3.79Å; L258-M267 HydrophobicContact CD2-SD 4.16Å; L261-M267 HydrophobicContact CB-CB 4.01Å; L261-M267 PolarHBondContact O-N 3.46Å; L262-M267 HydrophobicContact CD1-CE 4.21Å; L262-M267 HydrophobicContact CD2-CE 3.78Å; L262-M267 HydrophobicContact CG-CE 3.63Å; G265-M267 PolarHBondContact O-N 3.49Å; M267-N293 PolarHBondContact O-ND2 3.47Å
268	K	70.2	Confident	73	Confident	103 Å²	103	46.8 Å²	46.8	45%	0.448	24%	0.242	S	C	.	.			trans	-74.5	140.7	176.1	-72.3	178.5	-178.9	175.2	0	112.1	Y270 N293 F294	K268-Y270 HydrophobicContact CB-CD2 4.21Å; K268-Y270 HydrophobicContact CB-CE2 3.67Å; K268-Y270 WeakPolarHBondContact O-CD2 3.43Å; K268-Y270 PolarHBondContact O-N 3.35Å; K268-N293 WeakPolarHBondContact CA-OD1 3.46Å; K268-F294 HydrophobicContact CB-CB 4.22Å; K268-F294 HydrophobicContact CB-CG 4.42Å; K268-F294 HydrophobicContact CD-CD1 4.31Å; K268-F294 HydrophobicContact CD-CD2 4.15Å; K268-F294 HydrophobicContact CD-CE2 4.39Å; K268-F294 HydrophobicContact CD-CG 4.12Å; K268-F294 HydrophobicContact CG-CB 4.26Å; K268-F294 HydrophobicContact CG-CG 4.25Å
269	S	70.5	Confident	73.8	Confident	2 Å²	2	47 Å²	47	1%	0.014	24%	0.243	C	C	.	.			trans	-78.6	92.7	175.3	62.9	0	0	0	0	112.7	H271 L292 N293 F294	S269-H271 WeakPolarHBondContact CA-NE2 3.46Å; S269-H271 PolarHBondContact O-N 2.77Å; S269-L292 WeakPolarHBondContact OG-CA 3.47Å; S269-N293 PolarHBondContact N-OD1 2.86Å; S269-N293 PolarHBondContact OG-N 2.76Å; S269-N293 PolarHBondContact OG-OD1 3.46Å; S269-F294 PolarHBondContact OG-N 3.08Å; S269-F294 VanDerWaalsContact OG-N 3.16Å; S269-F294 PolarHBondContact OG-O 3.28Å
270	Y	63.8	Low	74.4	Confident	121 Å²	121	54.4 Å²	54.4	48%	0.475	27%	0.268	S	S	.	.			trans	-82.1	35.4	173.3	-66.4	-76.4	0	0	0	113.2	K268	K268-Y270 HydrophobicContact CB-CD2 4.21Å; K268-Y270 HydrophobicContact CB-CE2 3.67Å; K268-Y270 WeakPolarHBondContact O-CD2 3.43Å; K268-Y270 PolarHBondContact O-N 3.35Å
271	H	64.4	Low	75.1	Confident	53 Å²	53	56.1 Å²	56.1	25%	0.245	27%	0.265	C	S	.	.			trans	-72.6	-31.1	-161.5	28.1	-97.8	0	0	0	116.2	F204 S269 P273	F204-H271 AromaticContact CD1-CD2 3.26Å; F204-H271 WeakPolarHBondContact CD1-CD2 3.3Å; F204-H271 AromaticContact CD1-CG 3.83Å; F204-H271 AromaticContact CD1-NE2 3.47Å; F204-H271 WeakPolarHBondContact CD1-NE2 3.43Å; F204-H271 HydrophobicContact CD2-CB 3.5Å; F204-H271 AromaticContact CD2-CD2 3.56Å; F204-H271 AromaticContact CD2-CG 3.21Å; F204-H271 AromaticContact CD2-ND1 3.7Å; F204-H271 AromaticContact CE1-CD2 3.37Å; F204-H271 WeakPolarHBondContact CE1-CD2 3.26Å; F204-H271 AromaticContact CE1-CE1 3.35Å; F204-H271 WeakPolarHBondContact CE1-CE1 3.4Å; F204-H271 AromaticContact CE1-CG 3.81Å; F204-H271 AromaticContact CE1-ND1 3.8Å; F204-H271 AromaticContact CE1-NE2 3.08Å; F204-H271 WeakPolarHBondContact CE1-NE2 3.24Å; F204-H271 HydrophobicContact CE2-CB 3.84Å; F204-H271 AromaticContact CE2-CD2 3.68Å; F204-H271 AromaticContact CE2-CE1 3.56Å; F204-H271 AromaticContact CE2-CG 3.2Å; F204-H271 AromaticContact CE2-ND1 3.13Å; F204-H271 WeakPolarHBondContact CE2-ND1 3.44Å; F204-H271 AromaticContact CE2-NE2 3.9Å; F204-H271 HydrophobicContact CG-CB 4.03Å; F204-H271 AromaticContact CG-CD2 3.37Å; F204-H271 WeakPolarHBondContact CG-CD2 3.01Å; F204-H271 AromaticContact CG-CG 3.56Å; F204-H271 AromaticContact CZ-CD2 3.59Å; F204-H271 AromaticContact CZ-CE1 3.05Å; F204-H271 WeakPolarHBondContact CZ-CE1 3.22Å; F204-H271 AromaticContact CZ-CG 3.51Å; F204-H271 AromaticContact CZ-ND1 3.18Å; F204-H271 WeakPolarHBondContact CZ-ND1 3.37Å; F204-H271 AromaticContact CZ-NE2 3.33Å; F204-H271 VanDerWaalsContact CZ-NE2 3.33Å; F204-H271 WeakPolarHBondContact CZ-NE2 3.25Å; S269-H271 WeakPolarHBondContact CA-NE2 3.46Å; S269-H271 PolarHBondContact O-N 2.77Å; H271-P273 VanDerWaalsContact O-CD 3.28Å; H271-P273 WeakPolarHBondContact O-CD 3.48Å
272	I	74.5	Confident	75.9	Confident	16 Å²	16	54.4 Å²	54.4	8%	0.082	26%	0.257	C	S	.	.	S	Bend	trans	-79.9	116.5	-162.9	-56.7	172.9	0	0	0	109.3	A274 I276 F277 L287 L292 P296	I272-A274 PolarHBondContact O-N 3.48Å; I272-I276 HydrophobicContact CG2-CB 4.39Å; I272-I276 HydrophobicContact CG2-CD1 3.82Å; I272-F277 HydrophobicContact CB-CE2 4.45Å; I272-F277 HydrophobicContact CB-CZ 3.83Å; I272-F277 HydrophobicContact CD1-CZ 4.46Å; I272-F277 HydrophobicContact CG2-CE1 3.97Å; I272-F277 HydrophobicContact CG2-CE2 4.19Å; I272-F277 HydrophobicContact CG2-CZ 3.5Å; I272-L287 HydrophobicContact CD1-CD1 3.8Å; I272-L287 HydrophobicContact CG1-CD1 4.33Å; I272-L292 HydrophobicContact CD1-CD1 4.22Å; I272-L292 HydrophobicContact CD1-CD2 4.46Å; I272-L292 HydrophobicContact CG1-CD1 4.45Å; I272-L292 HydrophobicContact CG1-CD2 4.1Å; I272-P296 HydrophobicContact CD1-CG 4.47Å
273	P	73.9	Confident	76.9	Confident	19 Å²	19	55.9 Å²	55.9	12%	0.123	27%	0.265	C	S	.	.			trans	-54.6	124.2	-179	-28.6	35.3	0	0	0	112.3	L184 H271 A275 I276	L184-P273 HydrophobicContact CG-CB 4.5Å; H271-P273 VanDerWaalsContact O-CD 3.28Å; H271-P273 WeakPolarHBondContact O-CD 3.48Å; P273-A275 PolarHBondContact O-N 2.85Å; P273-I276 HydrophobicContact CB-CD1 4.29Å; P273-I276 HydrophobicContact CB-CG1 4.44Å; P273-I276 HydrophobicContact CG-CD1 4.29Å; P273-I276 WeakPolarHBondContact O-CB 3.16Å; P273-I276 WeakPolarHBondContact O-CG1 3.32Å; P273-I276 PolarHBondContact O-N 2.89Å
274	A	77.1	Confident	77.9	Confident	68 Å²	68	50.6 Å²	50.6	56%	0.562	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.1	-171.9	0	0	0	0	0	114.4	I272 I276 F277	I272-A274 PolarHBondContact O-N 3.48Å; A274-I276 PolarHBondContact O-N 2.94Å; A274-F277 PolarHBondContact O-N 3.49Å
275	A	79.7	Confident	78.9	Confident	3 Å²	3	49.3 Å²	49.3	3%	0.025	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.1	172.1	0	0	0	0	0	113.5	L184 F188 P273 K278	L184-A275 HydrophobicContact CB-CB 4.16Å; F188-A275 HydrophobicContact CB-CB 4.49Å; P273-A275 PolarHBondContact O-N 2.85Å; A275-K278 WeakPolarHBondContact O-CB 3.34Å; A275-K278 PolarHBondContact O-N 3.07Å
276	I	84.5	Confident	79.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-63.6	-43.3	177.8	-62.7	171.6	0	0	0	110.5	L184 L197 L199 I272 P273 A274 K278 L279 L282 L285	L184-I276 HydrophobicContact CD1-CD1 4.36Å; L184-I276 HydrophobicContact CD1-CG1 3.92Å; L197-I276 HydrophobicContact CD2-CD1 4.19Å; L197-I276 HydrophobicContact CD2-CG1 3.97Å; L197-I276 HydrophobicContact CD2-CG2 4.42Å; L199-I276 HydrophobicContact CD1-CD1 3.36Å; L199-I276 HydrophobicContact CD1-CG1 4.5Å; I272-I276 HydrophobicContact CG2-CB 4.39Å; I272-I276 HydrophobicContact CG2-CD1 3.82Å; P273-I276 HydrophobicContact CB-CD1 4.29Å; P273-I276 HydrophobicContact CB-CG1 4.44Å; P273-I276 HydrophobicContact CG-CD1 4.29Å; P273-I276 WeakPolarHBondContact O-CB 3.16Å; P273-I276 WeakPolarHBondContact O-CG1 3.32Å; P273-I276 PolarHBondContact O-N 2.89Å; A274-I276 PolarHBondContact O-N 2.94Å; I276-K278 PolarHBondContact O-N 3.3Å; I276-K278 VanDerWaalsContact O-N 3.08Å; I276-L279 VanDerWaalsContact O-CB 3.24Å; I276-L279 WeakPolarHBondContact O-CB 3.3Å; I276-L279 WeakPolarHBondContact O-CG 3.44Å; I276-L279 PolarHBondContact O-N 3.41Å; I276-L282 HydrophobicContact CG2-CD2 4.49Å; I276-L285 HydrophobicContact CG2-CD1 4.3Å; I276-L285 HydrophobicContact CG2-CD2 4.3Å
277	F	83	Confident	80.8	Confident	16 Å²	16	42.7 Å²	42.7	7%	0.07	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-65.5	-13.9	178.9	-48.3	-60.4	0	0	0	113.3	I272 A274 L279 P296 N298 L299 L301	I272-F277 HydrophobicContact CB-CE2 4.45Å; I272-F277 HydrophobicContact CB-CZ 3.83Å; I272-F277 HydrophobicContact CD1-CZ 4.46Å; I272-F277 HydrophobicContact CG2-CE1 3.97Å; I272-F277 HydrophobicContact CG2-CE2 4.19Å; I272-F277 HydrophobicContact CG2-CZ 3.5Å; A274-F277 PolarHBondContact O-N 3.49Å; F277-L279 VanDerWaalsContact C-N 3.35Å; F277-P296 HydrophobicContact CE1-CG 4.12Å; F277-P296 HydrophobicContact CE2-CG 4.31Å; F277-P296 HydrophobicContact CZ-CG 3.53Å; F277-N298 HydrophobicContact CB-CB 4.21Å; F277-N298 HydrophobicContact CD1-CB 3.98Å; F277-N298 WeakPolarHBondContact CD1-O 3.42Å; F277-N298 HydrophobicContact CD2-CB 3.75Å; F277-N298 HydrophobicContact CE1-CB 4.3Å; F277-N298 HydrophobicContact CE2-CB 4.1Å; F277-N298 HydrophobicContact CG-CB 3.71Å; F277-N298 HydrophobicContact CZ-CB 4.36Å; F277-L299 HydrophobicContact CD1-CD1 4.23Å; F277-L299 HydrophobicContact CE1-CB 4.45Å; F277-L299 HydrophobicContact CE1-CD1 3.83Å; F277-L301 HydrophobicContact CB-CD1 4.13Å; F277-L301 WeakPolarHBondContact O-CB 3.34Å
278	K	83.3	Confident	81.6	Confident	96 Å²	96	42.9 Å²	42.9	42%	0.417	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-80.8	-13.1	172.6	-54.7	178	-179.8	173.8	0	112.6	D186 A275 I276 R280	D186-K278 IonicContact OD1-NZ 2.62Å; D186-K278 PolarHBondContact OD1-NZ 3.29Å; A275-K278 WeakPolarHBondContact O-CB 3.34Å; A275-K278 PolarHBondContact O-N 3.07Å; I276-K278 PolarHBondContact O-N 3.3Å; I276-K278 VanDerWaalsContact O-N 3.08Å; K278-R280 VanDerWaalsContact C-N 3.29Å; K278-R280 PolarHBondContact O-N 3.26Å
279	L	84.2	Confident	82.3	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.037	19%	0.194	C	C	.	.			trans	-79.3	63.4	-178.8	-60.5	171	0	0	0	112.5	F188 L194 L197 I276 F277 R281 L282 L302	F188-L279 HydrophobicContact CD1-CD1 4.39Å; F188-L279 HydrophobicContact CD1-CD2 4.3Å; F188-L279 WeakPolarHBondContact O-CD2 3.26Å; L194-L279 HydrophobicContact CD2-CD1 3.95Å; L194-L279 HydrophobicContact CD2-CD2 4.16Å; L197-L279 HydrophobicContact CD2-CD1 4.08Å; I276-L279 VanDerWaalsContact O-CB 3.24Å; I276-L279 WeakPolarHBondContact O-CB 3.3Å; I276-L279 WeakPolarHBondContact O-CG 3.44Å; I276-L279 PolarHBondContact O-N 3.41Å; F277-L279 VanDerWaalsContact C-N 3.35Å; L279-R281 PolarHBondContact O-N 3Å; L279-L282 HydrophobicContact CB-CB 4.22Å; L279-L282 WeakPolarHBondContact O-CB 3.17Å; L279-L282 PolarHBondContact O-N 3.02Å; L279-L302 WeakPolarHBondContact O-CD2 3.09Å
280	R	83.3	Confident	82.7	Confident	186 Å²	186	44 Å²	44	70%	0.702	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	1.4	-174.5	-62.4	-177.3	179.6	-179.9	-0.2	117.1	K278	K278-R280 VanDerWaalsContact C-N 3.29Å; K278-R280 PolarHBondContact O-N 3.26Å
281	R	85.5	Confident	83.4	Confident	120 Å²	120	38.9 Å²	38.9	45%	0.453	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	2.4	177.9	-75.4	179.9	166	-159.4	0.2	114.3	Y192 L194 L279 T283	Y192-R281 WeakPolarHBondContact O-CD 3.48Å; Y192-R281 PolarHBondContact O-NH1 3.24Å; L194-R281 CarbonylContact O-C 3.59Å; L279-R281 PolarHBondContact O-N 3Å; R281-T283 PolarHBondContact O-N 3.15Å
282	L	90	Very high	84.2	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.172	C	C	.	.			trans	-60.1	130.9	172.6	-158.9	73	0	0	0	109.5	L194 K195 L197 I276 L279 L285 L302 R304 L305	L194-L282 HydrophobicContact CG-CD1 4.33Å; K195-L282 WeakPolarHBondContact O-CD1 3.46Å; L197-L282 HydrophobicContact CB-CD1 3.83Å; L197-L282 HydrophobicContact CB-CD2 4.44Å; I276-L282 HydrophobicContact CG2-CD2 4.49Å; L279-L282 HydrophobicContact CB-CB 4.22Å; L279-L282 WeakPolarHBondContact O-CB 3.17Å; L279-L282 PolarHBondContact O-N 3.02Å; L282-L285 HydrophobicContact CD2-CB 3.87Å; L282-L285 HydrophobicContact CD2-CD1 4.05Å; L282-L285 HydrophobicContact CD2-CD2 4.35Å; L282-L285 HydrophobicContact CD2-CG 4.3Å; L282-L302 HydrophobicContact CD2-CD1 4.26Å; L282-R304 CarbonylContact O-C 3.49Å; L282-R304 VanDerWaalsContact O-C 3.25Å; L282-L305 PolarHBondContact O-N 2.61Å
283	T	92.6	Very high	84.5	Confident	31 Å²	31	37 Å²	37	19%	0.19	18%	0.175	C	C	.	.			trans	-113.1	-25.3	178.1	60.9	0	0	0	0	112.4	K195 R281 R304 R306 E307	K195-T283 PolarHBondContact O-N 2.86Å; K195-T283 PolarHBondContact O-OG1 3.47Å; R281-T283 PolarHBondContact O-N 3.15Å; T283-R304 WeakPolarHBondContact CA-O 3.5Å; T283-R306 PolarHBondContact O-N 2.72Å; T283-E307 PolarHBondContact O-N 2.86Å
284	A	94.2	Very high	84.9	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.033	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.4	175.4	0	0	0	0	0	110.8	K195 A196 L197 E307	K195-A284 PolarHBondContact O-N 3.29Å; A196-A284 WeakPolarHBondContact CA-O 3.25Å; A196-A284 HydrophobicContact CB-CB 4.13Å; L197-A284 PolarHBondContact N-O 3.28Å; L197-A284 VanDerWaalsContact N-O 3.15Å; A284-E307 WeakPolarHBondContact CA-O 3.17Å; A284-E307 HydrophobicContact CB-CB 3.9Å; A284-E307 HydrophobicContact CB-CG 4.38Å
285	L	93	Very high	85.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	118.6	177.4	178.5	56.8	0	0	0	109.2	L197 I276 L282 L287 L299 L302 L305 E307 L308 Y309	L197-L285 HydrophobicContact CB-CD1 4.47Å; I276-L285 HydrophobicContact CG2-CD1 4.3Å; I276-L285 HydrophobicContact CG2-CD2 4.3Å; L282-L285 HydrophobicContact CD2-CB 3.87Å; L282-L285 HydrophobicContact CD2-CD1 4.05Å; L282-L285 HydrophobicContact CD2-CD2 4.35Å; L282-L285 HydrophobicContact CD2-CG 4.3Å; L285-L287 HydrophobicContact CD1-CD1 4.49Å; L285-L287 HydrophobicContact CD1-CD2 4.36Å; L285-L287 HydrophobicContact CD1-CG 4.13Å; L285-L287 HydrophobicContact CD2-CD1 3.88Å; L285-L287 HydrophobicContact CD2-CG 4.38Å; L285-L287 HydrophobicContact CG-CD1 4.03Å; L285-L287 HydrophobicContact CG-CG 3.99Å; L285-L299 HydrophobicContact CD2-CD1 4.03Å; L285-L302 HydrophobicContact CD2-CD1 4.12Å; L285-L305 HydrophobicContact CB-CD1 3.65Å; L285-L305 HydrophobicContact CB-CD2 4.46Å; L285-E307 PolarHBondContact N-O 3.42Å; L285-L308 HydrophobicContact CB-CD1 4.35Å; L285-L308 HydrophobicContact CD2-CD1 4.42Å; L285-L308 HydrophobicContact CG-CD1 4.4Å; L285-Y309 PolarHBondContact O-N 2.96Å
286	H	91.2	Very high	85.2	Confident	29 Å²	29	36.4 Å²	36.4	13%	0.134	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.3	171	-54	-115.2	0	0	0	109.5	L197 H198 L199 D288 Y309	L197-H286 PolarHBondContact O-N 3.22Å; H198-H286 HydrophobicContact CB-CB 4.21Å; H198-H286 AromaticContact CE1-CD2 3.44Å; H198-H286 PolarHBondContact CE1-CD2 3.35Å; H198-H286 VanDerWaalsContact CE1-CD2 3.44Å; H198-H286 AromaticContact CE1-CE1 3.87Å; H198-H286 AromaticContact CE1-NE2 3.14Å; H198-H286 PolarHBondContact CE1-NE2 3.34Å; H198-H286 AromaticContact CG-CD2 3.72Å; H198-H286 AromaticContact ND1-CD2 2.97Å; H198-H286 PolarHBondContact ND1-CD2 2.61Å; H198-H286 AromaticContact ND1-CE1 3.63Å; H198-H286 AromaticContact ND1-CG 3.4Å; H198-H286 AromaticContact ND1-ND1 3.78Å; H198-H286 AromaticContact ND1-NE2 3.1Å; H198-H286 PolarHBondContact ND1-NE2 3.3Å; H198-H286 VanDerWaalsContact ND1-NE2 3.1Å; L199-H286 PolarHBondContact N-O 2.84Å; L199-H286 CarbonylContact O-C 3.49Å; H286-D288 IonicContact ND1-OD2 2.73Å; H286-Y309 AromaticContact CD2-CD2 3.84Å; H286-Y309 AromaticContact CE1-CD1 3.9Å; H286-Y309 AromaticContact CE1-CD2 3.19Å; H286-Y309 WeakPolarHBondContact CE1-CD2 3.18Å; H286-Y309 AromaticContact CE1-CE1 3.83Å; H286-Y309 AromaticContact CE1-CE2 3.1Å; H286-Y309 WeakPolarHBondContact CE1-CE2 3.34Å; H286-Y309 AromaticContact CE1-CG 3.61Å; H286-Y309 AromaticContact CE1-CZ 3.46Å; H286-Y309 VanDerWaalsContact CE1-CZ 3.46Å; H286-Y309 AromaticContact CG-CD2 3.63Å; H286-Y309 AromaticContact CG-CG 3.96Å; H286-Y309 AromaticContact ND1-CD1 3.78Å; H286-Y309 AromaticContact ND1-CD2 3.22Å; H286-Y309 WeakPolarHBondContact ND1-CD2 3.41Å; H286-Y309 AromaticContact ND1-CE2 3.68Å; H286-Y309 AromaticContact ND1-CG 3.28Å; H286-Y309 VanDerWaalsContact ND1-CG 3.28Å; H286-Y309 AromaticContact NE2-CD2 3.64Å; H286-Y309 AromaticContact NE2-CE2 3.45Å; H286-Y309 WeakPolarHBondContact NE2-CE2 3.13Å
287	L	88.9	Confident	85	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	32.7	177.7	-68.5	171.2	0	0	0	109.7	L199 I272 L285 C290 L292 Y309 L310 N313	L199-L287 HydrophobicContact CB-CD2 4.17Å; L199-L287 HydrophobicContact CD1-CD2 4.29Å; L199-L287 WeakPolarHBondContact O-CA 3.5Å; I272-L287 HydrophobicContact CD1-CD1 3.8Å; I272-L287 HydrophobicContact CG1-CD1 4.33Å; L285-L287 HydrophobicContact CD1-CD1 4.49Å; L285-L287 HydrophobicContact CD1-CD2 4.36Å; L285-L287 HydrophobicContact CD1-CG 4.13Å; L285-L287 HydrophobicContact CD2-CD1 3.88Å; L285-L287 HydrophobicContact CD2-CG 4.38Å; L285-L287 HydrophobicContact CG-CD1 4.03Å; L285-L287 HydrophobicContact CG-CG 3.99Å; L287-C290 VanDerWaalsContact C-SG 3.59Å; L287-C290 WeakPolarHBondContact O-CB 3.29Å; L287-L292 HydrophobicContact CB-CD1 3.97Å; L287-L292 HydrophobicContact CD1-CD1 4.15Å; L287-Y309 CarbonylContact C-O 3.28Å; L287-Y309 PolarHBondContact N-O 3Å; L287-L310 HydrophobicContact CB-CD2 3.92Å; L287-L310 HydrophobicContact CD1-CD2 4.27Å; L287-N313 PolarHBondContact O-ND2 2.82Å
288	D	86.6	Confident	84.9	Confident	20 Å²	20	46.5 Å²	46.5	11%	0.107	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	140.8	178	-57.5	-70.2	0	0	0	110.3	D200 H286 C290 Y309 S311	D200-D288 WeakPolarHBondContact CA-O 3.43Å; D200-D288 WeakPolarHBondContact CB-O 3.47Å; H286-D288 IonicContact ND1-OD2 2.73Å; D288-C290 PolarHBondContact O-N 3Å; D288-C290 VanDerWaalsContact O-N 3.1Å; D288-Y309 WeakPolarHBondContact OD1-CB 3.38Å; D288-Y309 VanDerWaalsContact OD2-CB 3.31Å; D288-Y309 WeakPolarHBondContact OD2-CB 3.24Å; D288-S311 CarbonylContact C-O 3.09Å; D288-S311 WeakPolarHBondContact CA-O 3.34Å; D288-S311 WeakPolarHBondContact OD1-CB 3.34Å; D288-S311 PolarHBondContact OD1-N 2.94Å; D288-S311 PolarHBondContact OD1-OG 2.83Å
289	R	83.6	Confident	84.9	Confident	101 Å²	101	42 Å²	42	38%	0.381	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	23.2	176.3	-50.8	173.8	-167.9	-157	5.9	114.9	D200 R202 Q291 S311 K312	D200-R289 WeakPolarHBondContact OD2-CD 3.24Å; R202-R289 WeakPolarHBondContact CG-O 3.46Å; R289-Q291 VanDerWaalsContact C-N 3.32Å; R289-Q291 PolarHBondContact O-N 2.77Å; R289-S311 PolarHBondContact N-O 2.8Å; R289-K312 WeakPolarHBondContact CA-O 3.49Å; R289-K312 HydrophobicContact CG-CB 3.65Å; R289-K312 HydrophobicContact CG-CD 4.2Å; R289-K312 HydrophobicContact CG-CG 4.47Å
290	C	79.8	Confident	84.8	Confident	29 Å²	29	44.4 Å²	44.4	20%	0.196	21%	0.205	C	C	.	.	S	Bend	trans	-84.2	7.2	-179	-74.4	0	0	0	0	115	L287 D288 L292 N313	L287-C290 VanDerWaalsContact C-SG 3.59Å; L287-C290 WeakPolarHBondContact O-CB 3.29Å; D288-C290 PolarHBondContact O-N 3Å; D288-C290 VanDerWaalsContact O-N 3.1Å; C290-L292 HydrophobicContact CB-CD1 4.04Å; C290-L292 HydrophobicContact CB-CD2 4.4Å; C290-L292 HydrophobicContact CB-CG 3.78Å; C290-L292 PolarHBondContact O-N 2.98Å; C290-N313 WeakPolarHBondContact CA-OD1 3.38Å; C290-N313 PolarHBondContact N-OD1 2.7Å
291	Q	78.3	Confident	84.9	Confident	13 Å²	13	39.1 Å²	39.1	6%	0.061	19%	0.19	C	C	.	.			trans	59.9	27.8	-178.1	-57	177	-78.7	0	0	113.4	R202 D259 R289 N313 Y314	R202-Q291 HydrophobicContact CG-CG 3.87Å; D259-Q291 PolarHBondContact OD1-NE2 3.36Å; R289-Q291 VanDerWaalsContact C-N 3.32Å; R289-Q291 PolarHBondContact O-N 2.77Å; Q291-N313 PolarHBondContact N-OD1 3.29Å; Q291-Y314 HydrophobicContact CB-CD2 3.88Å; Q291-Y314 HydrophobicContact CB-CE2 3.49Å; Q291-Y314 VanDerWaalsContact CB-CE2 3.49Å; Q291-Y314 HydrophobicContact CG-CD2 4.48Å; Q291-Y314 HydrophobicContact CG-CE2 3.65Å; Q291-Y314 PolarHBondContact NE2-OH 2.98Å
292	L	81.8	Confident	84.9	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	17%	0.169	C	C	.	.			trans	-77.2	135.4	-178.4	-59.6	175.1	0	0	0	111.3	S269 I272 L287 C290 I295 L310 N313 Y314 F315	S269-L292 WeakPolarHBondContact OG-CA 3.47Å; I272-L292 HydrophobicContact CD1-CD1 4.22Å; I272-L292 HydrophobicContact CD1-CD2 4.46Å; I272-L292 HydrophobicContact CG1-CD1 4.45Å; I272-L292 HydrophobicContact CG1-CD2 4.1Å; L287-L292 HydrophobicContact CB-CD1 3.97Å; L287-L292 HydrophobicContact CD1-CD1 4.15Å; C290-L292 HydrophobicContact CB-CD1 4.04Å; C290-L292 HydrophobicContact CB-CD2 4.4Å; C290-L292 HydrophobicContact CB-CG 3.78Å; C290-L292 PolarHBondContact O-N 2.98Å; L292-I295 HydrophobicContact CD1-CD1 4.45Å; L292-L310 HydrophobicContact CD1-CD2 4.06Å; L292-N313 HydrophobicContact CB-CB 4.29Å; L292-N313 PolarHBondContact N-OD1 3Å; L292-N313 WeakPolarHBondContact O-CB 3.35Å; L292-Y314 CarbonylContact O-C 3.47Å; L292-Y314 WeakPolarHBondContact O-CA 3.44Å; L292-Y314 PolarHBondContact O-N 3.19Å; L292-F315 HydrophobicContact CB-CE1 4.22Å; L292-F315 HydrophobicContact CB-CE2 4.16Å; L292-F315 HydrophobicContact CB-CZ 3.6Å; L292-F315 HydrophobicContact CD1-CZ 4.47Å; L292-F315 PolarHBondContact O-N 2.81Å
293	N	80.3	Confident	84.7	Confident	25 Å²	25	41.4 Å²	41.4	13%	0.134	20%	0.204	C	C	.	.	S	Bend	trans	-120.6	-5.1	166.7	65.1	8.6	0	0	0	112.4	L262 M267 K268 S269 Y314 F315	L262-N293 PolarHBondContact O-ND2 3.19Å; M267-N293 PolarHBondContact O-ND2 3.47Å; K268-N293 WeakPolarHBondContact CA-OD1 3.46Å; S269-N293 PolarHBondContact N-OD1 2.86Å; S269-N293 PolarHBondContact OG-N 2.76Å; S269-N293 PolarHBondContact OG-OD1 3.46Å; N293-Y314 VanDerWaalsContact CB-O 3.24Å; N293-Y314 WeakPolarHBondContact CB-O 3.35Å; N293-F315 VanDerWaalsContact C-CD1 3.46Å; N293-F315 VanDerWaalsContact C-CE1 3.45Å; N293-F315 WeakPolarHBondContact O-CD1 3.44Å
294	F	82.7	Confident	84.6	Confident	57 Å²	57	46.4 Å²	46.4	25%	0.25	22%	0.219	C	C	.	.			trans	-139.8	144.1	-178.6	-179	-105.7	0	0	0	111.1	K268 S269 P296	K268-F294 HydrophobicContact CB-CB 4.22Å; K268-F294 HydrophobicContact CB-CG 4.42Å; K268-F294 HydrophobicContact CD-CD1 4.31Å; K268-F294 HydrophobicContact CD-CD2 4.15Å; K268-F294 HydrophobicContact CD-CE2 4.39Å; K268-F294 HydrophobicContact CD-CG 4.12Å; K268-F294 HydrophobicContact CG-CB 4.26Å; K268-F294 HydrophobicContact CG-CG 4.25Å; S269-F294 PolarHBondContact OG-N 3.08Å; S269-F294 VanDerWaalsContact OG-N 3.16Å; S269-F294 PolarHBondContact OG-O 3.28Å; F294-P296 HydrophobicContact CE1-CB 4.16Å
295	I	83.5	Confident	84.5	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	22%	0.218	C	C	.	.			trans	-113.4	120.3	171.6	-65.6	-62.5	0	0	0	108.1	L292 L299 L310 F315 P319	L292-I295 HydrophobicContact CD1-CD1 4.45Å; I295-L299 HydrophobicContact CG2-CB 4.19Å; I295-L299 HydrophobicContact CG2-CD2 3.6Å; I295-L299 HydrophobicContact CG2-CG 4.5Å; I295-L310 HydrophobicContact CD1-CD1 4.13Å; I295-L310 HydrophobicContact CD1-CD2 3.86Å; I295-L310 HydrophobicContact CG1-CD1 4.48Å; I295-F315 HydrophobicContact CD1-CE1 4.2Å; I295-F315 HydrophobicContact CD1-CZ 3.69Å; I295-F315 HydrophobicContact CG1-CE1 3.87Å; I295-F315 HydrophobicContact CG1-CZ 3.81Å; I295-P319 HydrophobicContact CB-CB 4.24Å; I295-P319 HydrophobicContact CG1-CB 3.97Å; I295-P319 HydrophobicContact CG1-CG 3.83Å
296	P	79.8	Confident	84.6	Confident	20 Å²	20	51.8 Å²	51.8	13%	0.13	24%	0.238	C	C	.	.			trans	-74.4	147.6	179.5	31	-35	0	0	0	111.9	I272 F277 F294 N298 L299	I272-P296 HydrophobicContact CD1-CG 4.47Å; F277-P296 HydrophobicContact CE1-CG 4.12Å; F277-P296 HydrophobicContact CE2-CG 4.31Å; F277-P296 HydrophobicContact CZ-CG 3.53Å; F294-P296 HydrophobicContact CE1-CB 4.16Å; P296-N298 PolarHBondContact O-N 3.1Å; P296-N298 VanDerWaalsContact O-N 3.08Å; P296-L299 WeakPolarHBondContact O-CB 3.34Å; P296-L299 PolarHBondContact O-N 3.48Å
297	E	78.7	Confident	84.8	Confident	144 Å²	144	53.8 Å²	53.8	67%	0.673	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-59.1	-22.7	178.6	-63.9	-176.4	177	0	0	113.3	L299 T300	E297-L299 PolarHBondContact O-N 2.9Å; E297-T300 VanDerWaalsContact O-CB 3.23Å; E297-T300 WeakPolarHBondContact O-CB 3.4Å; E297-T300 WeakPolarHBondContact O-CG2 3.16Å; E297-T300 PolarHBondContact O-N 3.44Å; E297-T300 PolarHBondContact O-OG1 2.9Å
298	N	81.9	Confident	85.1	Confident	85 Å²	85	53.5 Å²	53.5	46%	0.455	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-57.5	-15.4	173.7	-58.1	88.3	0	0	0	113.9	F277 P296 T300 L301	F277-N298 HydrophobicContact CB-CB 4.21Å; F277-N298 HydrophobicContact CD1-CB 3.98Å; F277-N298 WeakPolarHBondContact CD1-O 3.42Å; F277-N298 HydrophobicContact CD2-CB 3.75Å; F277-N298 HydrophobicContact CE1-CB 4.3Å; F277-N298 HydrophobicContact CE2-CB 4.1Å; F277-N298 HydrophobicContact CG-CB 3.71Å; F277-N298 HydrophobicContact CZ-CB 4.36Å; P296-N298 PolarHBondContact O-N 3.1Å; P296-N298 VanDerWaalsContact O-N 3.08Å; N298-T300 PolarHBondContact O-N 2.86Å; N298-L301 HydrophobicContact CB-CD1 4.37Å; N298-L301 VanDerWaalsContact O-CB 3.3Å; N298-L301 WeakPolarHBondContact O-CB 3.47Å; N298-L301 WeakPolarHBondContact O-CG 3.33Å; N298-L301 PolarHBondContact O-N 3.47Å; N298-L301 VanDerWaalsContact O-N 3.13Å
299	L	84	Confident	85.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-61.3	-27.5	172	-153.7	70.3	0	0	0	112	F277 L285 I295 P296 E297 L301 L302 L308 L325	F277-L299 HydrophobicContact CD1-CD1 4.23Å; F277-L299 HydrophobicContact CE1-CB 4.45Å; F277-L299 HydrophobicContact CE1-CD1 3.83Å; L285-L299 HydrophobicContact CD2-CD1 4.03Å; I295-L299 HydrophobicContact CG2-CB 4.19Å; I295-L299 HydrophobicContact CG2-CD2 3.6Å; I295-L299 HydrophobicContact CG2-CG 4.5Å; P296-L299 WeakPolarHBondContact O-CB 3.34Å; P296-L299 PolarHBondContact O-N 3.48Å; E297-L299 PolarHBondContact O-N 2.9Å; L299-L301 PolarHBondContact O-N 2.86Å; L299-L302 HydrophobicContact CD1-CD1 3.81Å; L299-L302 WeakPolarHBondContact O-CB 3.42Å; L299-L302 PolarHBondContact O-N 2.83Å; L299-L308 HydrophobicContact CD2-CD2 4.02Å; L299-L325 HydrophobicContact CD2-CD1 3.49Å; L299-L325 VanDerWaalsContact CD2-CD1 3.49Å; L299-L325 HydrophobicContact CD2-CG 4.42Å; L299-L325 HydrophobicContact CG-CD1 3.91Å
300	T	81.6	Confident	85.8	Confident	58 Å²	58	49.5 Å²	49.5	36%	0.356	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-46.4	-30.4	168.2	51.8	0	0	0	0	114.5	E297 N298 L302 T324	E297-T300 VanDerWaalsContact O-CB 3.23Å; E297-T300 WeakPolarHBondContact O-CB 3.4Å; E297-T300 WeakPolarHBondContact O-CG2 3.16Å; E297-T300 PolarHBondContact O-N 3.44Å; E297-T300 PolarHBondContact O-OG1 2.9Å; N298-T300 PolarHBondContact O-N 2.86Å; T300-L302 PolarHBondContact O-N 2.92Å; T300-T324 VanDerWaalsContact CG2-CB 3.42Å; T300-T324 HydrophobicContact CG2-CG2 3.83Å
301	L	84.4	Confident	86.3	Confident	75 Å²	75	49 Å²	49	39%	0.393	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-69.7	-18.9	-175.9	-60.3	175.4	0	0	0	111.9	F277 N298 L299 K303	F277-L301 HydrophobicContact CB-CD1 4.13Å; F277-L301 WeakPolarHBondContact O-CB 3.34Å; N298-L301 HydrophobicContact CB-CD1 4.37Å; N298-L301 VanDerWaalsContact O-CB 3.3Å; N298-L301 WeakPolarHBondContact O-CB 3.47Å; N298-L301 WeakPolarHBondContact O-CG 3.33Å; N298-L301 PolarHBondContact O-N 3.47Å; N298-L301 VanDerWaalsContact O-N 3.13Å; L299-L301 PolarHBondContact O-N 2.86Å; L301-K303 VanDerWaalsContact C-N 3.26Å; L301-K303 PolarHBondContact O-N 3.3Å; L301-K303 VanDerWaalsContact O-N 3.11Å
302	L	87.1	Confident	86.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.243	C	C	.	.			trans	-86.1	56.4	178.2	-55.7	-177.3	0	0	0	111.8	L279 L282 L285 L299 T300 R304 L305	L279-L302 WeakPolarHBondContact O-CD2 3.09Å; L282-L302 HydrophobicContact CD2-CD1 4.26Å; L285-L302 HydrophobicContact CD2-CD1 4.12Å; L299-L302 HydrophobicContact CD1-CD1 3.81Å; L299-L302 WeakPolarHBondContact O-CB 3.42Å; L299-L302 PolarHBondContact O-N 2.83Å; T300-L302 PolarHBondContact O-N 2.92Å; L302-R304 PolarHBondContact O-N 2.89Å; L302-L305 HydrophobicContact CB-CB 4.02Å; L302-L305 HydrophobicContact CB-CD2 4.48Å; L302-L305 HydrophobicContact CD1-CD2 4.25Å; L302-L305 VanDerWaalsContact O-CB 3.28Å; L302-L305 WeakPolarHBondContact O-CB 3.16Å; L302-L305 PolarHBondContact O-N 2.92Å
303	K	85.7	Confident	87.1	Confident	170 Å²	170	52.9 Å²	52.9	74%	0.739	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	9.8	-177.9	-58.4	-167.9	176.4	-166.4	0	116.8	L301	L301-K303 VanDerWaalsContact C-N 3.26Å; L301-K303 PolarHBondContact O-N 3.3Å; L301-K303 VanDerWaalsContact O-N 3.11Å
304	R	89.9	Confident	87.3	Confident	136 Å²	136	53.2 Å²	53.2	51%	0.513	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	2.1	176.7	-70.8	-175.2	170.1	-158.9	-3.8	112.8	L282 T283 L302 R306	L282-R304 CarbonylContact O-C 3.49Å; L282-R304 VanDerWaalsContact O-C 3.25Å; T283-R304 WeakPolarHBondContact CA-O 3.5Å; L302-R304 PolarHBondContact O-N 2.89Å; R304-R306 PolarHBondContact O-N 3.45Å
305	L	92.2	Very high	87.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.232	C	C	.	.			trans	-69.6	117.9	-179.1	-169.7	67.1	0	0	0	109.8	L282 L285 L302 E307 L308 L325 T328 L329	L282-L305 PolarHBondContact O-N 2.61Å; L285-L305 HydrophobicContact CB-CD1 3.65Å; L285-L305 HydrophobicContact CB-CD2 4.46Å; L302-L305 HydrophobicContact CB-CB 4.02Å; L302-L305 HydrophobicContact CB-CD2 4.48Å; L302-L305 HydrophobicContact CD1-CD2 4.25Å; L302-L305 VanDerWaalsContact O-CB 3.28Å; L302-L305 WeakPolarHBondContact O-CB 3.16Å; L302-L305 PolarHBondContact O-N 2.92Å; L305-E307 WeakPolarHBondContact CD1-O 3.21Å; L305-L308 HydrophobicContact CD2-CB 4.43Å; L305-L308 HydrophobicContact CD2-CD1 4.43Å; L305-L308 HydrophobicContact CD2-CD2 4.46Å; L305-L325 HydrophobicContact CD2-CD1 3.82Å; L305-T328 CarbonylContact O-C 3.59Å; L305-T328 VanDerWaalsContact O-C 3.28Å; L305-T328 WeakPolarHBondContact O-CB 3.39Å; L305-T328 VanDerWaalsContact O-O 3.08Å; L305-T328 PolarHBondContact O-OG1 3.12Å; L305-L329 HydrophobicContact CD2-CD2 4.49Å; L305-L329 HydrophobicContact CG-CD2 4.19Å
306	R	94.2	Very high	87.2	Confident	116 Å²	116	55.7 Å²	55.7	44%	0.438	25%	0.251	S	S	.	.			trans	-109.2	-37.8	-179.2	-73.4	165.4	177	-103.8	-13.8	111.4	T283 R304 T328 L329 E330 Y331	T283-R306 PolarHBondContact O-N 2.72Å; R304-R306 PolarHBondContact O-N 3.45Å; R306-T328 WeakPolarHBondContact CA-O 3.47Å; R306-L329 CarbonylContact O-C 3.22Å; R306-L329 WeakPolarHBondContact O-CA 3.31Å; R306-E330 HydrophobicContact CB-CB 4.34Å; R306-E330 HydrophobicContact CB-CG 4.36Å; R306-E330 VanDerWaalsContact CD-OE2 3.28Å; R306-E330 WeakPolarHBondContact CD-OE2 3.25Å; R306-E330 HydrophobicContact CG-CG 4.28Å; R306-E330 IonicContact CZ-OE1 3.46Å; R306-E330 IonicContact CZ-OE2 3.69Å; R306-E330 IonicContact NE-OE2 2.83Å; R306-E330 IonicContact NH1-OE1 3.09Å; R306-E330 PolarHBondContact NH1-OE1 3.47Å; R306-E330 IonicContact NH1-OE2 3.44Å; R306-E330 PolarHBondContact NH1-OE2 2.95Å; R306-E330 PolarHBondContact O-N 3.07Å; R306-Y331 PolarHBondContact O-N 3.42Å
307	E	95.5	Very high	87.3	Confident	71 Å²	71	56.4 Å²	56.4	33%	0.332	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.6	-179.1	-50.5	166.6	-143.1	0	0	110.2	T283 A284 L285 L305 Y309 Y331	T283-E307 PolarHBondContact O-N 2.86Å; A284-E307 WeakPolarHBondContact CA-O 3.17Å; A284-E307 HydrophobicContact CB-CB 3.9Å; A284-E307 HydrophobicContact CB-CG 4.38Å; L285-E307 PolarHBondContact N-O 3.42Å; L305-E307 WeakPolarHBondContact CD1-O 3.21Å; E307-Y309 HydrophobicContact CB-CD2 4.47Å; E307-Y309 HydrophobicContact CB-CE2 3.73Å; E307-Y309 PolarHBondContact OE2-OH 2.83Å; E307-Y331 WeakPolarHBondContact CA-O 3.06Å
308	L	94.5	Very high	87.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	115.7	178.2	178.5	56.2	0	0	0	110.2	L285 L299 L305 L310 L322 L325 L329 Y331 D333	L285-L308 HydrophobicContact CB-CD1 4.35Å; L285-L308 HydrophobicContact CD2-CD1 4.42Å; L285-L308 HydrophobicContact CG-CD1 4.4Å; L299-L308 HydrophobicContact CD2-CD2 4.02Å; L305-L308 HydrophobicContact CD2-CB 4.43Å; L305-L308 HydrophobicContact CD2-CD1 4.43Å; L305-L308 HydrophobicContact CD2-CD2 4.46Å; L308-L310 HydrophobicContact CD1-CD1 4.27Å; L308-L310 HydrophobicContact CD1-CD2 4.35Å; L308-L310 HydrophobicContact CD1-CG 4.02Å; L308-L310 HydrophobicContact CD2-CD1 3.91Å; L308-L310 HydrophobicContact CG-CD1 3.88Å; L308-L310 HydrophobicContact CG-CG 3.99Å; L308-L322 HydrophobicContact CD2-CD1 3.56Å; L308-L325 HydrophobicContact CD2-CD1 3.81Å; L308-L329 HydrophobicContact CB-CD1 4.46Å; L308-L329 HydrophobicContact CB-CD2 3.73Å; L308-L329 HydrophobicContact CD2-CD1 4.27Å; L308-Y331 PolarHBondContact N-O 3.06Å; L308-D333 PolarHBondContact O-N 2.99Å; L308-D333 VanDerWaalsContact O-N 3.11Å
309	Y	93.3	Very high	87.7	Confident	37 Å²	37	47.2 Å²	47.2	15%	0.145	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.5	-179.7	-55.7	-107.6	0	0	0	109.4	L285 H286 L287 D288 E307 Y331 D333	L285-Y309 PolarHBondContact O-N 2.96Å; H286-Y309 AromaticContact CD2-CD2 3.84Å; H286-Y309 AromaticContact CE1-CD1 3.9Å; H286-Y309 AromaticContact CE1-CD2 3.19Å; H286-Y309 WeakPolarHBondContact CE1-CD2 3.18Å; H286-Y309 AromaticContact CE1-CE1 3.83Å; H286-Y309 AromaticContact CE1-CE2 3.1Å; H286-Y309 WeakPolarHBondContact CE1-CE2 3.34Å; H286-Y309 AromaticContact CE1-CG 3.61Å; H286-Y309 AromaticContact CE1-CZ 3.46Å; H286-Y309 VanDerWaalsContact CE1-CZ 3.46Å; H286-Y309 AromaticContact CG-CD2 3.63Å; H286-Y309 AromaticContact CG-CG 3.96Å; H286-Y309 AromaticContact ND1-CD1 3.78Å; H286-Y309 AromaticContact ND1-CD2 3.22Å; H286-Y309 WeakPolarHBondContact ND1-CD2 3.41Å; H286-Y309 AromaticContact ND1-CE2 3.68Å; H286-Y309 AromaticContact ND1-CG 3.28Å; H286-Y309 VanDerWaalsContact ND1-CG 3.28Å; H286-Y309 AromaticContact NE2-CD2 3.64Å; H286-Y309 AromaticContact NE2-CE2 3.45Å; H286-Y309 WeakPolarHBondContact NE2-CE2 3.13Å; L287-Y309 CarbonylContact C-O 3.28Å; L287-Y309 PolarHBondContact N-O 3Å; D288-Y309 WeakPolarHBondContact OD1-CB 3.38Å; D288-Y309 VanDerWaalsContact OD2-CB 3.31Å; D288-Y309 WeakPolarHBondContact OD2-CB 3.24Å; E307-Y309 HydrophobicContact CB-CD2 4.47Å; E307-Y309 HydrophobicContact CB-CE2 3.73Å; E307-Y309 PolarHBondContact OE2-OH 2.83Å; Y309-Y331 HydrophobicContact CD1-CD1 4.33Å; Y309-Y331 AromaticContact CD1-CE1 3.67Å; Y309-Y331 HydrophobicContact CD1-CE1 3.67Å; Y309-Y331 AromaticContact CE1-CD1 3.81Å; Y309-Y331 HydrophobicContact CE1-CD1 3.81Å; Y309-Y331 AromaticContact CE1-CE1 3.1Å; Y309-Y331 HydrophobicContact CE1-CE1 3.1Å; Y309-Y331 AromaticContact CE1-CZ 3.54Å; Y309-Y331 HydrophobicContact CE2-CD1 4.26Å; Y309-Y331 HydrophobicContact CE2-CE1 4.36Å; Y309-Y331 HydrophobicContact CG-CE1 4.48Å; Y309-Y331 AromaticContact CZ-CD1 3.75Å; Y309-Y331 AromaticContact CZ-CE1 3.5Å; Y309-Y331 VanDerWaalsContact CZ-CE1 3.5Å; Y309-Y331 AromaticContact CZ-CZ 3.94Å; Y309-D333 HydrophobicContact CD1-CB 4.18Å
310	L	92.2	Very high	87.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.256	C	S	.	.			trans	-133	21.1	-172.7	-74	172.3	0	0	0	111.4	L287 L292 I295 L308 N313 F315 L322 D333 L334 N337	L287-L310 HydrophobicContact CB-CD2 3.92Å; L287-L310 HydrophobicContact CD1-CD2 4.27Å; L292-L310 HydrophobicContact CD1-CD2 4.06Å; I295-L310 HydrophobicContact CD1-CD1 4.13Å; I295-L310 HydrophobicContact CD1-CD2 3.86Å; I295-L310 HydrophobicContact CG1-CD1 4.48Å; L308-L310 HydrophobicContact CD1-CD1 4.27Å; L308-L310 HydrophobicContact CD1-CD2 4.35Å; L308-L310 HydrophobicContact CD1-CG 4.02Å; L308-L310 HydrophobicContact CD2-CD1 3.91Å; L308-L310 HydrophobicContact CG-CD1 3.88Å; L308-L310 HydrophobicContact CG-CG 3.99Å; L310-N313 VanDerWaalsContact C-ND2 3.3Å; L310-N313 PolarHBondContact O-ND2 2.99Å; L310-F315 HydrophobicContact CB-CE2 4.1Å; L310-F315 HydrophobicContact CD1-CE2 4.35Å; L310-F315 HydrophobicContact CD2-CE2 4.04Å; L310-F315 HydrophobicContact CD2-CZ 4.21Å; L310-F315 HydrophobicContact CG-CE2 4.41Å; L310-L322 HydrophobicContact CD1-CD1 4.36Å; L310-D333 CarbonylContact C-O 2.97Å; L310-D333 WeakPolarHBondContact CA-O 3.23Å; L310-D333 WeakPolarHBondContact CB-O 3.44Å; L310-D333 PolarHBondContact N-O 3.02Å; L310-L334 HydrophobicContact CB-CD2 3.89Å; L310-L334 HydrophobicContact CD1-CD2 3.9Å; L310-N337 PolarHBondContact O-ND2 3.1Å
311	S	91.6	Very high	87.5	Confident	17 Å²	17	52.9 Å²	52.9	12%	0.119	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	153.2	-175.9	72.8	0	0	0	0	112.3	D288 R289 N313 D333 S335	D288-S311 CarbonylContact C-O 3.09Å; D288-S311 WeakPolarHBondContact CA-O 3.34Å; D288-S311 WeakPolarHBondContact OD1-CB 3.34Å; D288-S311 PolarHBondContact OD1-N 2.94Å; D288-S311 PolarHBondContact OD1-OG 2.83Å; R289-S311 PolarHBondContact N-O 2.8Å; S311-N313 VanDerWaalsContact C-N 3.3Å; S311-N313 PolarHBondContact O-N 3.38Å; S311-N313 PolarHBondContact O-ND2 2.65Å; S311-D333 PolarHBondContact N-O 2.78Å; S311-S335 CarbonylContact C-O 2.98Å; S311-S335 WeakPolarHBondContact CA-O 3.2Å; S311-S335 WeakPolarHBondContact CB-O 3.46Å
312	K	88.1	Confident	87.6	Confident	92 Å²	92	49.3 Å²	49.3	40%	0.4	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	37.5	173.7	-62.7	177.6	178.9	-174.7	0	114.3	R289 S335 D336	R289-K312 WeakPolarHBondContact CA-O 3.49Å; R289-K312 HydrophobicContact CG-CB 3.65Å; R289-K312 HydrophobicContact CG-CD 4.2Å; R289-K312 HydrophobicContact CG-CG 4.47Å; K312-S335 PolarHBondContact N-O 3.36Å; K312-D336 HydrophobicContact CB-CB 4.42Å; K312-D336 HydrophobicContact CD-CB 4.47Å; K312-D336 WeakPolarHBondContact CE-OD2 3.48Å; K312-D336 HydrophobicContact CG-CB 3.47Å; K312-D336 VanDerWaalsContact CG-CB 3.47Å; K312-D336 IonicContact NZ-OD2 3.96Å; K312-D336 PolarHBondContact NZ-OD2 2.64Å
313	N	87.4	Confident	87.5	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.032	23%	0.23	C	C	.	.	S	Bend	trans	-99.7	-165	173.6	-82.9	-62.5	0	0	0	110.4	L287 C290 Q291 L292 L310 S311 F315 N337	L287-N313 PolarHBondContact O-ND2 2.82Å; C290-N313 WeakPolarHBondContact CA-OD1 3.38Å; C290-N313 PolarHBondContact N-OD1 2.7Å; Q291-N313 PolarHBondContact N-OD1 3.29Å; L292-N313 HydrophobicContact CB-CB 4.29Å; L292-N313 PolarHBondContact N-OD1 3Å; L292-N313 WeakPolarHBondContact O-CB 3.35Å; L310-N313 VanDerWaalsContact C-ND2 3.3Å; L310-N313 PolarHBondContact O-ND2 2.99Å; S311-N313 VanDerWaalsContact C-N 3.3Å; S311-N313 PolarHBondContact O-N 3.38Å; S311-N313 PolarHBondContact O-ND2 2.65Å; N313-F315 HydrophobicContact CB-CD2 3.8Å; N313-F315 HydrophobicContact CB-CE2 3.69Å; N313-N337 WeakPolarHBondContact CA-OD1 3.46Å; N313-N337 WeakPolarHBondContact CB-OD1 3.3Å; N313-N337 PolarHBondContact N-OD1 3.02Å; N313-N337 VanDerWaalsContact N-OD1 3.16Å; N313-N337 PolarHBondContact O-OD1 3.13Å
314	Y	84.3	Confident	87.4	Confident	33 Å²	33	45 Å²	45	13%	0.129	21%	0.209	C	C	.	.			trans	-115.3	31.2	-179.1	-58.5	-34.6	0	0	0	112	D259 L262 R263 Q291 L292 N293 R316	D259-Y314 PolarHBondContact OD1-OH 3.05Å; D259-Y314 VanDerWaalsContact OD1-OH 3.09Å; L262-Y314 HydrophobicContact CB-CD2 4.03Å; L262-Y314 HydrophobicContact CB-CE2 4.4Å; R263-Y314 HydrophobicContact CG-CD1 3.88Å; R263-Y314 HydrophobicContact CG-CD2 3.99Å; R263-Y314 HydrophobicContact CG-CE1 3.86Å; R263-Y314 HydrophobicContact CG-CE2 3.95Å; R263-Y314 HydrophobicContact CG-CG 3.97Å; R263-Y314 PolarHBondContact NH2-OH 2.59Å; R263-Y314 VanDerWaalsContact NH2-OH 3.09Å; Q291-Y314 HydrophobicContact CB-CD2 3.88Å; Q291-Y314 HydrophobicContact CB-CE2 3.49Å; Q291-Y314 VanDerWaalsContact CB-CE2 3.49Å; Q291-Y314 HydrophobicContact CG-CD2 4.48Å; Q291-Y314 HydrophobicContact CG-CE2 3.65Å; Q291-Y314 PolarHBondContact NE2-OH 2.98Å; L292-Y314 CarbonylContact O-C 3.47Å; L292-Y314 WeakPolarHBondContact O-CA 3.44Å; L292-Y314 PolarHBondContact O-N 3.19Å; N293-Y314 VanDerWaalsContact CB-O 3.24Å; N293-Y314 WeakPolarHBondContact CB-O 3.35Å; Y314-R316 PolarHBondContact O-N 2.93Å
315	F	85.9	Confident	87.2	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.009	19%	0.185	C	C	.	.			trans	-67.8	123.3	174.1	-63.6	-64.1	0	0	0	110.1	L292 N293 I295 L310 N313 P319 N337 L339	L292-F315 HydrophobicContact CB-CE1 4.22Å; L292-F315 HydrophobicContact CB-CE2 4.16Å; L292-F315 HydrophobicContact CB-CZ 3.6Å; L292-F315 HydrophobicContact CD1-CZ 4.47Å; L292-F315 PolarHBondContact O-N 2.81Å; N293-F315 VanDerWaalsContact C-CD1 3.46Å; N293-F315 VanDerWaalsContact C-CE1 3.45Å; N293-F315 WeakPolarHBondContact O-CD1 3.44Å; I295-F315 HydrophobicContact CD1-CE1 4.2Å; I295-F315 HydrophobicContact CD1-CZ 3.69Å; I295-F315 HydrophobicContact CG1-CE1 3.87Å; I295-F315 HydrophobicContact CG1-CZ 3.81Å; L310-F315 HydrophobicContact CB-CE2 4.1Å; L310-F315 HydrophobicContact CD1-CE2 4.35Å; L310-F315 HydrophobicContact CD2-CE2 4.04Å; L310-F315 HydrophobicContact CD2-CZ 4.21Å; L310-F315 HydrophobicContact CG-CE2 4.41Å; N313-F315 HydrophobicContact CB-CD2 3.8Å; N313-F315 HydrophobicContact CB-CE2 3.69Å; F315-P319 HydrophobicContact CD1-CB 3.88Å; F315-P319 HydrophobicContact CD1-CG 3.78Å; F315-P319 HydrophobicContact CE1-CB 3.92Å; F315-P319 HydrophobicContact CE1-CG 3.83Å; F315-P319 HydrophobicContact CG-CG 4.29Å; F315-P319 HydrophobicContact CZ-CG 4.38Å; F315-N337 HydrophobicContact CB-CB 4.23Å; F315-N337 VanDerWaalsContact CD2-OD1 3.26Å; F315-N337 WeakPolarHBondContact CD2-OD1 3.47Å; F315-N337 PolarHBondContact N-OD1 3.22Å; F315-L339 VanDerWaalsContact O-CD2 3.25Å; F315-L339 WeakPolarHBondContact O-CD2 3.28Å
316	R	79.5	Confident	86.7	Confident	107 Å²	107	42.1 Å²	42.1	40%	0.404	20%	0.201	S	C	.	.	S	Bend	trans	-87.3	-21.9	176.4	-71.8	-178.6	153.1	-133.4	-37.2	113.8	R263 S264 Y314 L339 D340	R263-R316 PolarHBondContact O-NE 3.1Å; S264-R316 PolarHBondContact O-NH1 2.98Å; Y314-R316 PolarHBondContact O-N 2.93Å; R316-L339 WeakPolarHBondContact O-CA 3.46Å; R316-L339 WeakPolarHBondContact O-CB 3.34Å; R316-D340 HydrophobicContact CG-CB 4.48Å; R316-D340 IonicContact CZ-OD2 3.92Å; R316-D340 IonicContact NE-OD2 2.84Å; R316-D340 IonicContact NH2-OD2 3.94Å; R316-D340 PolarHBondContact NH2-OD2 2.81Å
317	G	82.4	Confident	86.3	Confident	36 Å²	36	41.5 Å²	41.5	37%	0.371	21%	0.207	S	C	.	.	S	Bend	trans	-147.4	179.6	170.4	0	0	0	0	0	109.7	P319	G317-P319 VanDerWaalsContact O-CD 3.32Å; G317-P319 WeakPolarHBondContact O-CD 3.26Å
318	I	86.2	Confident	86	Confident	22 Å²	22	39.6 Å²	39.6	11%	0.113	20%	0.199	C	C	.	.			trans	-62.6	117.5	173.1	-56.2	-59.3	0	0	0	108.9	Q320 L322 F323 L334 L349 F353 M368	I318-Q320 PolarHBondContact O-N 2.96Å; I318-L322 HydrophobicContact CG2-CD2 4.16Å; I318-F323 HydrophobicContact CB-CZ 4.37Å; I318-F323 HydrophobicContact CG2-CE1 4.36Å; I318-F323 HydrophobicContact CG2-CE2 3.92Å; I318-F323 HydrophobicContact CG2-CZ 3.59Å; I318-L334 HydrophobicContact CD1-CD1 3.88Å; I318-L349 HydrophobicContact CD1-CD2 3.76Å; I318-L349 HydrophobicContact CG1-CD2 3.96Å; I318-F353 HydrophobicContact CD1-CE2 4.35Å; I318-F353 HydrophobicContact CG1-CE2 4.41Å; I318-F353 HydrophobicContact CG2-CD2 4.37Å; I318-F353 HydrophobicContact CG2-CE2 4Å; I318-M368 HydrophobicContact CD1-CE 3.96Å
319	P	82.4	Confident	85.9	Confident	13 Å²	13	39.6 Å²	39.6	8%	0.084	20%	0.199	C	C	.	.			trans	-69.7	126.4	-172.8	25.4	-31.9	0	0	0	110.7	I295 F315 G317 G321 L322	I295-P319 HydrophobicContact CB-CB 4.24Å; I295-P319 HydrophobicContact CG1-CB 3.97Å; I295-P319 HydrophobicContact CG1-CG 3.83Å; F315-P319 HydrophobicContact CD1-CB 3.88Å; F315-P319 HydrophobicContact CD1-CG 3.78Å; F315-P319 HydrophobicContact CE1-CB 3.92Å; F315-P319 HydrophobicContact CE1-CG 3.83Å; F315-P319 HydrophobicContact CG-CG 4.29Å; F315-P319 HydrophobicContact CZ-CG 4.38Å; G317-P319 VanDerWaalsContact O-CD 3.32Å; G317-P319 WeakPolarHBondContact O-CD 3.26Å; P319-G321 PolarHBondContact O-N 2.72Å; P319-G321 VanDerWaalsContact O-N 3.11Å; P319-L322 HydrophobicContact CG-CB 4.21Å; P319-L322 WeakPolarHBondContact O-CB 3.1Å; P319-L322 PolarHBondContact O-N 2.92Å
320	Q	80	Confident	86	Confident	172 Å²	172	40.5 Å²	40.5	80%	0.804	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-54.9	-36.5	-173.4	-71.2	-179	-9.7	0	0	113.6	I318 L322 F323	I318-Q320 PolarHBondContact O-N 2.96Å; Q320-L322 PolarHBondContact O-N 2.88Å; Q320-L322 VanDerWaalsContact O-N 3.1Å; Q320-F323 WeakPolarHBondContact O-CD2 3.36Å; Q320-F323 PolarHBondContact O-N 2.91Å; Q320-F323 VanDerWaalsContact O-N 3.12Å
321	G	80.2	Confident	86.2	Confident	6 Å²	6	42.6 Å²	42.6	6%	0.062	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-58.7	-20.2	175.8	0	0	0	0	0	114.6	P319 T324	P319-G321 PolarHBondContact O-N 2.72Å; P319-G321 VanDerWaalsContact O-N 3.11Å; G321-T324 WeakPolarHBondContact O-CB 3.18Å; G321-T324 WeakPolarHBondContact O-CG2 3.42Å; G321-T324 PolarHBondContact O-N 3.47Å; G321-T324 PolarHBondContact O-OG1 3Å
322	L	87.6	Confident	86.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-68.3	-35.1	176.1	-172.1	67.7	0	0	0	112.5	L308 L310 I318 P319 Q320 T324 L325 L329 L332 L334 F357	L308-L322 HydrophobicContact CD2-CD1 3.56Å; L310-L322 HydrophobicContact CD1-CD1 4.36Å; I318-L322 HydrophobicContact CG2-CD2 4.16Å; P319-L322 HydrophobicContact CG-CB 4.21Å; P319-L322 WeakPolarHBondContact O-CB 3.1Å; P319-L322 PolarHBondContact O-N 2.92Å; Q320-L322 PolarHBondContact O-N 2.88Å; Q320-L322 VanDerWaalsContact O-N 3.1Å; L322-T324 PolarHBondContact O-N 2.97Å; L322-L325 PolarHBondContact O-N 3.38Å; L322-L329 HydrophobicContact CD1-CD1 4.11Å; L322-L332 HydrophobicContact CD1-CD1 3.93Å; L322-L332 HydrophobicContact CD2-CD1 4.15Å; L322-L332 HydrophobicContact CD2-CD2 3.88Å; L322-L334 HydrophobicContact CD2-CD1 3.93Å; L322-L334 HydrophobicContact CD2-CD2 4.49Å; L322-F357 HydrophobicContact CD2-CZ 4.28Å; L322-F357 HydrophobicContact CG-CE1 4.49Å; L322-F357 HydrophobicContact CG-CZ 3.9Å
323	F	85.1	Confident	86.8	Confident	33 Å²	33	38.1 Å²	38.1	15%	0.145	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-64.9	-10.4	177.6	-62.2	-64.9	0	0	0	113.1	I318 Q320 L325 H326 P350 F353 K356 F357	I318-F323 HydrophobicContact CB-CZ 4.37Å; I318-F323 HydrophobicContact CG2-CE1 4.36Å; I318-F323 HydrophobicContact CG2-CE2 3.92Å; I318-F323 HydrophobicContact CG2-CZ 3.59Å; Q320-F323 WeakPolarHBondContact O-CD2 3.36Å; Q320-F323 PolarHBondContact O-N 2.91Å; Q320-F323 VanDerWaalsContact O-N 3.12Å; F323-L325 VanDerWaalsContact C-N 3.26Å; F323-L325 PolarHBondContact O-N 2.89Å; F323-H326 WeakPolarHBondContact O-CB 3.42Å; F323-H326 PolarHBondContact O-ND1 3.39Å; F323-P350 HydrophobicContact CZ-CB 4.43Å; F323-P350 HydrophobicContact CZ-CG 3.98Å; F323-F353 AromaticContact CE1-CD2 3.88Å; F323-F353 HydrophobicContact CE1-CD2 3.88Å; F323-F353 HydrophobicContact CE1-CE2 4.43Å; F323-F353 HydrophobicContact CZ-CD2 4.22Å; F323-K356 HydrophobicContact CB-CD 4.25Å; F323-K356 HydrophobicContact CD1-CB 4.46Å; F323-K356 HydrophobicContact CD1-CD 3.36Å; F323-K356 HydrophobicContact CE1-CD 3.93Å; F323-K356 HydrophobicContact CG-CD 3.99Å; F323-F357 AromaticContact CD1-CE2 3.55Å; F323-F357 HydrophobicContact CD1-CE2 3.55Å; F323-F357 AromaticContact CD1-CZ 3.83Å; F323-F357 HydrophobicContact CD1-CZ 3.83Å; F323-F357 AromaticContact CE1-CE2 3.63Å; F323-F357 HydrophobicContact CE1-CE2 3.63Å; F323-F357 HydrophobicContact CE1-CZ 4.31Å
324	T	83.2	Confident	87	Confident	47 Å²	47	37.9 Å²	37.9	29%	0.288	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-73.4	-17.3	173.1	72.4	0	0	0	0	113.7	T300 G321 L322	T300-T324 VanDerWaalsContact CG2-CB 3.42Å; T300-T324 HydrophobicContact CG2-CG2 3.83Å; G321-T324 WeakPolarHBondContact O-CB 3.18Å; G321-T324 WeakPolarHBondContact O-CG2 3.42Å; G321-T324 PolarHBondContact O-N 3.47Å; G321-T324 PolarHBondContact O-OG1 3Å; L322-T324 PolarHBondContact O-N 2.97Å
325	L	84.6	Confident	87.5	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.016	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-102.6	12.8	179.9	-61.1	176.5	0	0	0	113.6	L299 L305 L308 L322 F323 N327 T328 L329	L299-L325 HydrophobicContact CD2-CD1 3.49Å; L299-L325 VanDerWaalsContact CD2-CD1 3.49Å; L299-L325 HydrophobicContact CD2-CG 4.42Å; L299-L325 HydrophobicContact CG-CD1 3.91Å; L305-L325 HydrophobicContact CD2-CD1 3.82Å; L308-L325 HydrophobicContact CD2-CD1 3.81Å; L322-L325 PolarHBondContact O-N 3.38Å; F323-L325 VanDerWaalsContact C-N 3.26Å; F323-L325 PolarHBondContact O-N 2.89Å; L325-N327 PolarHBondContact O-N 2.85Å; L325-T328 PolarHBondContact O-N 3.49Å; L325-L329 HydrophobicContact CB-CD1 3.78Å; L325-L329 HydrophobicContact CB-CG 3.88Å; L325-L329 HydrophobicContact CD1-CD1 4.08Å; L325-L329 HydrophobicContact CD1-CD2 4.39Å; L325-L329 HydrophobicContact CD1-CG 4.37Å; L325-L329 PolarHBondContact O-N 2.93Å
326	H	83.2	Confident	87.7	Confident	72 Å²	72	39.4 Å²	39.4	33%	0.333	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.1	-169.8	64.7	-92.2	0	0	0	114.7	F323 K356 F357	F323-H326 WeakPolarHBondContact O-CB 3.42Å; F323-H326 PolarHBondContact O-ND1 3.39Å; H326-K356 HydrophobicContact CB-CB 3.92Å; H326-K356 WeakPolarHBondContact CB-O 3.42Å; H326-F357 HydrophobicContact CB-CD1 4.24Å; H326-F357 HydrophobicContact CB-CE1 4.19Å
327	N	84.8	Confident	88	Confident	103 Å²	103	34.3 Å²	34.3	55%	0.551	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	4.5	-177.4	64.9	-6.2	0	0	0	114.9	L325	L325-N327 PolarHBondContact O-N 2.85Å
328	T	89.8	Confident	87.4	Confident	30 Å²	30	40.4 Å²	40.4	18%	0.184	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-24.8	178.8	70	0	0	0	0	115	L305 R306 L325	L305-T328 CarbonylContact O-C 3.59Å; L305-T328 VanDerWaalsContact O-C 3.28Å; L305-T328 WeakPolarHBondContact O-CB 3.39Å; L305-T328 VanDerWaalsContact O-O 3.08Å; L305-T328 PolarHBondContact O-OG1 3.12Å; R306-T328 WeakPolarHBondContact CA-O 3.47Å; L325-T328 PolarHBondContact O-N 3.49Å
329	L	92.9	Very high	86.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.			trans	-75.1	132.1	-176.5	-68.4	175.6	0	0	0	112.5	L305 R306 L308 L322 L325 F357 M359 L360	L305-L329 HydrophobicContact CD2-CD2 4.49Å; L305-L329 HydrophobicContact CG-CD2 4.19Å; R306-L329 CarbonylContact O-C 3.22Å; R306-L329 WeakPolarHBondContact O-CA 3.31Å; L308-L329 HydrophobicContact CB-CD1 4.46Å; L308-L329 HydrophobicContact CB-CD2 3.73Å; L308-L329 HydrophobicContact CD2-CD1 4.27Å; L322-L329 HydrophobicContact CD1-CD1 4.11Å; L325-L329 HydrophobicContact CB-CD1 3.78Å; L325-L329 HydrophobicContact CB-CG 3.88Å; L325-L329 HydrophobicContact CD1-CD1 4.08Å; L325-L329 HydrophobicContact CD1-CD2 4.39Å; L325-L329 HydrophobicContact CD1-CG 4.37Å; L325-L329 PolarHBondContact O-N 2.93Å; L329-F357 HydrophobicContact CD1-CE1 4.19Å; L329-M359 CarbonylContact O-C 3.15Å; L329-M359 WeakPolarHBondContact O-CB 3.45Å; L329-L360 HydrophobicContact CB-CD2 3.94Å; L329-L360 PolarHBondContact O-N 2.98Å
330	E	95.5	Very high	86.1	Confident	57 Å²	57	42.6 Å²	42.6	27%	0.266	21%	0.21	S	C	.	.	S	Bend	trans	-111.2	-25.2	172.6	-64.7	175.9	157.6	0	0	111	R306 M359 K361 V362	R306-E330 HydrophobicContact CB-CB 4.34Å; R306-E330 HydrophobicContact CB-CG 4.36Å; R306-E330 VanDerWaalsContact CD-OE2 3.28Å; R306-E330 WeakPolarHBondContact CD-OE2 3.25Å; R306-E330 HydrophobicContact CG-CG 4.28Å; R306-E330 IonicContact CZ-OE1 3.46Å; R306-E330 IonicContact CZ-OE2 3.69Å; R306-E330 IonicContact NE-OE2 2.83Å; R306-E330 IonicContact NH1-OE1 3.09Å; R306-E330 PolarHBondContact NH1-OE1 3.47Å; R306-E330 IonicContact NH1-OE2 3.44Å; R306-E330 PolarHBondContact NH1-OE2 2.95Å; R306-E330 PolarHBondContact O-N 3.07Å; E330-M359 WeakPolarHBondContact CA-O 3.15Å; E330-K361 HydrophobicContact CB-CD 4.48Å; E330-K361 WeakPolarHBondContact O-CA 3.49Å; E330-K361 WeakPolarHBondContact O-CB 3.41Å; E330-K361 PolarHBondContact O-N 2.86Å; E330-V362 PolarHBondContact O-N 3.46Å
331	Y	96.3	Very high	84.9	Confident	43 Å²	43	36 Å²	36	17%	0.169	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	126.2	178.5	-169.2	-69.2	0	0	0	110.4	R306 E307 L308 Y309 D333 V362 K364	R306-Y331 PolarHBondContact O-N 3.42Å; E307-Y331 WeakPolarHBondContact CA-O 3.06Å; L308-Y331 PolarHBondContact N-O 3.06Å; Y309-Y331 HydrophobicContact CD1-CD1 4.33Å; Y309-Y331 AromaticContact CD1-CE1 3.67Å; Y309-Y331 HydrophobicContact CD1-CE1 3.67Å; Y309-Y331 AromaticContact CE1-CD1 3.81Å; Y309-Y331 HydrophobicContact CE1-CD1 3.81Å; Y309-Y331 AromaticContact CE1-CE1 3.1Å; Y309-Y331 HydrophobicContact CE1-CE1 3.1Å; Y309-Y331 AromaticContact CE1-CZ 3.54Å; Y309-Y331 HydrophobicContact CE2-CD1 4.26Å; Y309-Y331 HydrophobicContact CE2-CE1 4.36Å; Y309-Y331 HydrophobicContact CG-CE1 4.48Å; Y309-Y331 AromaticContact CZ-CD1 3.75Å; Y309-Y331 AromaticContact CZ-CE1 3.5Å; Y309-Y331 VanDerWaalsContact CZ-CE1 3.5Å; Y309-Y331 AromaticContact CZ-CZ 3.94Å; Y331-D333 HydrophobicContact CE1-CB 4Å; Y331-V362 WeakPolarHBondContact CA-O 3.24Å; Y331-V362 HydrophobicContact CD2-CB 3.44Å; Y331-V362 VanDerWaalsContact CD2-CB 3.44Å; Y331-V362 HydrophobicContact CD2-CG1 3.65Å; Y331-V362 HydrophobicContact CD2-CG2 3.76Å; Y331-V362 HydrophobicContact CE1-CG1 4.45Å; Y331-V362 HydrophobicContact CE2-CB 3.8Å; Y331-V362 HydrophobicContact CE2-CG1 3.45Å; Y331-V362 VanDerWaalsContact CE2-CG1 3.45Å; Y331-V362 HydrophobicContact CE2-CG2 4.06Å; Y331-V362 HydrophobicContact CG-CB 3.98Å; Y331-V362 HydrophobicContact CG-CG1 4.24Å; Y331-K364 WeakPolarHBondContact OH-CE 3.27Å; Y331-K364 PolarHBondContact OH-NZ 3.26Å
332	L	95.7	Very high	83.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	123.7	177.2	175.4	62.1	0	0	0	110.7	L322 L334 F353 L360 V362 L363 K364	L322-L332 HydrophobicContact CD1-CD1 3.93Å; L322-L332 HydrophobicContact CD2-CD1 4.15Å; L322-L332 HydrophobicContact CD2-CD2 3.88Å; L332-L334 HydrophobicContact CD1-CD1 4.33Å; L332-L334 HydrophobicContact CD1-CD2 4.45Å; L332-L334 HydrophobicContact CD1-CG 4Å; L332-L334 HydrophobicContact CD2-CD1 4.03Å; L332-L334 HydrophobicContact CG-CD1 4.23Å; L332-L334 HydrophobicContact CG-CG 4.19Å; L332-F353 HydrophobicContact CD2-CZ 4.14Å; L332-L360 HydrophobicContact CB-CD1 4.32Å; L332-L360 HydrophobicContact CB-CD2 3.79Å; L332-L360 HydrophobicContact CD2-CD1 4.31Å; L332-V362 PolarHBondContact N-O 3.04Å; L332-L363 HydrophobicContact CB-CD1 4.35Å; L332-L363 HydrophobicContact CD2-CD1 3.96Å; L332-L363 HydrophobicContact CG-CD1 4.27Å; L332-K364 PolarHBondContact O-N 3.49Å
333	D	95	Very high	81.6	Confident	16 Å²	16	51 Å²	51	9%	0.086	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	112.1	173.5	-168.6	-17.5	0	0	0	110.8	L308 Y309 L310 S311 Y331 S335 K364	L308-D333 PolarHBondContact O-N 2.99Å; L308-D333 VanDerWaalsContact O-N 3.11Å; Y309-D333 HydrophobicContact CD1-CB 4.18Å; L310-D333 CarbonylContact C-O 2.97Å; L310-D333 WeakPolarHBondContact CA-O 3.23Å; L310-D333 WeakPolarHBondContact CB-O 3.44Å; L310-D333 PolarHBondContact N-O 3.02Å; S311-D333 PolarHBondContact N-O 2.78Å; Y331-D333 HydrophobicContact CE1-CB 4Å; D333-S335 WeakPolarHBondContact OD1-CB 3.43Å; D333-S335 PolarHBondContact OD1-N 2.94Å; D333-S335 PolarHBondContact OD1-OG 3.07Å; D333-K364 HydrophobicContact CB-CB 4.25Å; D333-K364 HydrophobicContact CB-CD 4.33Å; D333-K364 WeakPolarHBondContact OD2-CD 3.28Å
334	L	93.5	Very high	79.9	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	30%	0.296	C	S	.	.			trans	-112.9	15.2	175.2	-68.7	166	0	0	0	111.6	L310 I318 L322 L332 N337 K364 L365 M368	L310-L334 HydrophobicContact CB-CD2 3.89Å; L310-L334 HydrophobicContact CD1-CD2 3.9Å; I318-L334 HydrophobicContact CD1-CD1 3.88Å; L322-L334 HydrophobicContact CD2-CD1 3.93Å; L322-L334 HydrophobicContact CD2-CD2 4.49Å; L332-L334 HydrophobicContact CD1-CD1 4.33Å; L332-L334 HydrophobicContact CD1-CD2 4.45Å; L332-L334 HydrophobicContact CD1-CG 4Å; L332-L334 HydrophobicContact CD2-CD1 4.03Å; L332-L334 HydrophobicContact CG-CD1 4.23Å; L332-L334 HydrophobicContact CG-CG 4.19Å; L334-N337 WeakPolarHBondContact O-CB 3.47Å; L334-N337 PolarHBondContact O-N 3.42Å; L334-N337 PolarHBondContact O-ND2 2.79Å; L334-K364 PolarHBondContact N-O 2.93Å; L334-L365 HydrophobicContact CB-CD2 4.11Å; L334-L365 HydrophobicContact CD1-CD2 4.01Å; L334-M368 HydrophobicContact CB-CE 3.95Å; L334-M368 HydrophobicContact CB-SD 3.77Å
335	S	93	Very high	78.7	Confident	6 Å²	6	62 Å²	62	4%	0.042	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	154.1	-171.2	-42.6	0	0	0	0	113.1	S311 K312 D333 N337 K364 S366	S311-S335 CarbonylContact C-O 2.98Å; S311-S335 WeakPolarHBondContact CA-O 3.2Å; S311-S335 WeakPolarHBondContact CB-O 3.46Å; K312-S335 PolarHBondContact N-O 3.36Å; D333-S335 WeakPolarHBondContact OD1-CB 3.43Å; D333-S335 PolarHBondContact OD1-N 2.94Å; D333-S335 PolarHBondContact OD1-OG 3.07Å; S335-N337 PolarHBondContact O-N 3.17Å; S335-N337 VanDerWaalsContact O-N 3.08Å; S335-K364 WeakPolarHBondContact OG-CB 3.4Å; S335-S366 CarbonylContact C-O 3.59Å; S335-S366 WeakPolarHBondContact CA-O 3.29Å; S335-S366 WeakPolarHBondContact CB-O 3.41Å; S335-S366 WeakPolarHBondContact CB-OG 3.26Å; S335-S366 PolarHBondContact OG-OG 3.07Å
336	D	89.9	Confident	77.7	Confident	60 Å²	60	65.1 Å²	65.1	32%	0.321	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	19.7	-177.1	-63.4	-54.1	0	0	0	114.6	K312 K338 S366 S367	K312-D336 HydrophobicContact CB-CB 4.42Å; K312-D336 HydrophobicContact CD-CB 4.47Å; K312-D336 WeakPolarHBondContact CE-OD2 3.48Å; K312-D336 HydrophobicContact CG-CB 3.47Å; K312-D336 VanDerWaalsContact CG-CB 3.47Å; K312-D336 IonicContact NZ-OD2 3.96Å; K312-D336 PolarHBondContact NZ-OD2 2.64Å; D336-K338 PolarHBondContact O-N 3.24Å; D336-S366 PolarHBondContact N-O 2.84Å; D336-S367 WeakPolarHBondContact OD1-CB 3.35Å; D336-S367 PolarHBondContact OD1-OG 3.36Å
337	N	86.2	Confident	77.2	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.32	C	S	.	.			trans	-86.4	98.8	161.2	-74	-78.2	0	0	0	108.3	L310 N313 F315 L334 S335 L339 M368	L310-N337 PolarHBondContact O-ND2 3.1Å; N313-N337 WeakPolarHBondContact CA-OD1 3.46Å; N313-N337 WeakPolarHBondContact CB-OD1 3.3Å; N313-N337 PolarHBondContact N-OD1 3.02Å; N313-N337 VanDerWaalsContact N-OD1 3.16Å; N313-N337 PolarHBondContact O-OD1 3.13Å; F315-N337 HydrophobicContact CB-CB 4.23Å; F315-N337 VanDerWaalsContact CD2-OD1 3.26Å; F315-N337 WeakPolarHBondContact CD2-OD1 3.47Å; F315-N337 PolarHBondContact N-OD1 3.22Å; L334-N337 WeakPolarHBondContact O-CB 3.47Å; L334-N337 PolarHBondContact O-N 3.42Å; L334-N337 PolarHBondContact O-ND2 2.79Å; S335-N337 PolarHBondContact O-N 3.17Å; S335-N337 VanDerWaalsContact O-N 3.08Å; N337-L339 VanDerWaalsContact C-N 3.34Å; N337-L339 HydrophobicContact CB-CD2 4.4Å; N337-L339 PolarHBondContact O-N 3.14Å; N337-M368 WeakPolarHBondContact O-CA 3.26Å
338	K	70.2	Confident	77.1	Confident	165 Å²	165	60.1 Å²	60.1	72%	0.717	31%	0.307	S	S	*	.			trans	-63.8	95.3	175.8	-66	-173.3	178.2	-169.9	0	109.1	D336 D340	D336-K338 PolarHBondContact O-N 3.24Å; K338-D340 PolarHBondContact O-N 3.01Å; K338-D340 VanDerWaalsContact O-N 3.15Å
339	L	73.2	Confident	76.9	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.016	30%	0.299	C	S	.	.			trans	-69.3	112.7	174.4	-55.9	-167.1	0	0	0	107.9	F315 R316 N337 V347 M368 N369 L370	F315-L339 VanDerWaalsContact O-CD2 3.25Å; F315-L339 WeakPolarHBondContact O-CD2 3.28Å; R316-L339 WeakPolarHBondContact O-CA 3.46Å; R316-L339 WeakPolarHBondContact O-CB 3.34Å; N337-L339 VanDerWaalsContact C-N 3.34Å; N337-L339 HydrophobicContact CB-CD2 4.4Å; N337-L339 PolarHBondContact O-N 3.14Å; L339-V347 HydrophobicContact CB-CG1 3.43Å; L339-V347 VanDerWaalsContact CB-CG1 3.43Å; L339-V347 HydrophobicContact CB-CG2 4.34Å; L339-V347 HydrophobicContact CD1-CG1 3.41Å; L339-V347 VanDerWaalsContact CD1-CG1 3.41Å; L339-V347 HydrophobicContact CG-CG1 4.01Å; L339-V347 WeakPolarHBondContact O-CG2 3.49Å; L339-M368 VanDerWaalsContact CB-O 3.29Å; L339-M368 WeakPolarHBondContact CB-O 3.42Å; L339-M368 HydrophobicContact CD1-CE 3.68Å; L339-M368 HydrophobicContact CD2-CE 3.76Å; L339-M368 HydrophobicContact CG-CB 4.36Å; L339-M368 HydrophobicContact CG-CE 3.8Å; L339-M368 VanDerWaalsContact CG-O 3.3Å; L339-M368 WeakPolarHBondContact CG-O 3.38Å; L339-N369 PolarHBondContact O-ND2 2.74Å; L339-L370 HydrophobicContact CD1-CD2 4.31Å
340	D	67.5	Low	76.6	Confident	77 Å²	77	61.1 Å²	61.1	41%	0.412	31%	0.314	S	S	.	.			trans	-84.4	110.8	170	-64.1	-27.8	0	0	0	107	R316 K338	R316-D340 HydrophobicContact CG-CB 4.48Å; R316-D340 IonicContact CZ-OD2 3.92Å; R316-D340 IonicContact NE-OD2 2.84Å; R316-D340 IonicContact NH2-OD2 3.94Å; R316-D340 PolarHBondContact NH2-OD2 2.81Å; K338-D340 PolarHBondContact O-N 3.01Å; K338-D340 VanDerWaalsContact O-N 3.15Å
341	G	55.6	Low	76.1	Confident	34 Å²	34	65.7 Å²	65.7	35%	0.351	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-64	156.7	159.8	0	0	0	0	0	109.4
342	E	50.9	Low	75.6	Confident	129 Å²	129	66.9 Å²	66.9	60%	0.603	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-54.9	149.5	156.8	-65.4	175	169.2	0	0	108.4	D344 K345	E342-D344 PolarHBondContact O-N 2.93Å; E342-K345 HydrophobicContact CB-CB 4.44Å; E342-K345 HydrophobicContact CB-CD 4.23Å; E342-K345 HydrophobicContact CB-CG 4.48Å; E342-K345 PolarHBondContact O-N 3.01Å; E342-K345 WeakPolarHBondContact OE2-CD 3.36Å; E342-K345 WeakPolarHBondContact OE2-CE 3.32Å; E342-K345 IonicContact OE2-NZ 2.61Å; E342-K345 PolarHBondContact OE2-NZ 3.31Å
343	E	47.2	Very low	75.3	Confident	192 Å²	192	66.9 Å²	66.9	90%	0.897	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	133.3	176.3	-63.8	178.1	165.6	0	0	109.1	K345	E343-K345 PolarHBondContact O-N 3.05Å
344	D	50.4	Low	75	Confident	178 Å²	178	66.1 Å²	66.1	95%	0.952	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	-0.7	-168.1	-65	-27.9	0	0	0	119.7	E342	E342-D344 PolarHBondContact O-N 2.93Å
345	K	57.6	Low	74.7	Confident	132 Å²	132	68.5 Å²	68.5	57%	0.574	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-97.6	123.6	175.9	-70.7	-175.8	-172.6	161.9	0	114	E342 E343 V347	E342-K345 HydrophobicContact CB-CB 4.44Å; E342-K345 HydrophobicContact CB-CD 4.23Å; E342-K345 HydrophobicContact CB-CG 4.48Å; E342-K345 PolarHBondContact O-N 3.01Å; E342-K345 WeakPolarHBondContact OE2-CD 3.36Å; E342-K345 WeakPolarHBondContact OE2-CE 3.32Å; E342-K345 IonicContact OE2-NZ 2.61Å; E342-K345 PolarHBondContact OE2-NZ 3.31Å; E343-K345 PolarHBondContact O-N 3.05Å; K345-V347 PolarHBondContact O-N 3.02Å
346	S	63	Low	74.6	Confident	69 Å²	69	71.2 Å²	71.2	48%	0.483	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-52.2	125.4	166.8	51.8	0	0	0	0	111.4	L348 T371	S346-L348 PolarHBondContact O-N 3.23Å; S346-L348 WeakPolarHBondContact OG-CD1 3.44Å; S346-T371 WeakPolarHBondContact CA-OG1 3.29Å; S346-T371 WeakPolarHBondContact CB-OG1 3.28Å
347	V	74	Confident	74.6	Confident	14 Å²	14	68.4 Å²	68.4	9%	0.085	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-75.1	121.7	171.1	-176.9	0	0	0	0	109.1	L339 K345 L370 T371	L339-V347 HydrophobicContact CB-CG1 3.43Å; L339-V347 VanDerWaalsContact CB-CG1 3.43Å; L339-V347 HydrophobicContact CB-CG2 4.34Å; L339-V347 HydrophobicContact CD1-CG1 3.41Å; L339-V347 VanDerWaalsContact CD1-CG1 3.41Å; L339-V347 HydrophobicContact CG-CG1 4.01Å; L339-V347 WeakPolarHBondContact O-CG2 3.49Å; K345-V347 PolarHBondContact O-N 3.02Å; V347-L370 HydrophobicContact CG1-CD2 4Å; V347-T371 PolarHBondContact N-OG1 3.38Å; V347-T371 PolarHBondContact O-N 3.22Å; V347-T371 PolarHBondContact O-OG1 2.71Å
348	L	81	Confident	74.8	Confident	56 Å²	56	73.5 Å²	73.5	29%	0.293	38%	0.378	S	S	.	.			trans	-135	149.2	-174	-55.9	172.5	0	0	0	110.8	S346 C372	S346-L348 PolarHBondContact O-N 3.23Å; S346-L348 WeakPolarHBondContact OG-CD1 3.44Å; L348-C372 WeakPolarHBondContact CD2-O 3.45Å; L348-C372 WeakPolarHBondContact CD2-SG 3.09Å
349	L	86.9	Confident	75.8	Confident	3 Å²	3	70.5 Å²	70.5	2%	0.016	37%	0.368	C	S	.	.			trans	-73.5	145.4	164.8	-61.8	175.3	0	0	0	109.8	I318 L365 L370 L373 V377 L378	I318-L349 HydrophobicContact CD1-CD2 3.76Å; I318-L349 HydrophobicContact CG1-CD2 3.96Å; L349-L365 HydrophobicContact CD1-CD1 3.79Å; L349-L365 HydrophobicContact CD2-CD1 4.24Å; L349-L370 HydrophobicContact CD2-CD2 4.15Å; L349-L370 HydrophobicContact CG-CD1 4.48Å; L349-L370 HydrophobicContact CG-CD2 4.13Å; L349-L373 HydrophobicContact CD1-CD2 3.94Å; L349-V377 HydrophobicContact CB-CG2 3.7Å; L349-L378 HydrophobicContact CD1-CD2 4.48Å
350	P	86.8	Confident	76.8	Confident	48 Å²	48	70.4 Å²	70.4	31%	0.312	37%	0.367	S	S	.	.			trans	-59.4	138.5	173.6	-27.9	39.1	0	0	0	112.1	F323 D352 F353 V377	F323-P350 HydrophobicContact CZ-CB 4.43Å; F323-P350 HydrophobicContact CZ-CG 3.98Å; P350-D352 PolarHBondContact O-N 2.88Å; P350-F353 WeakPolarHBondContact O-CB 3.24Å; P350-F353 PolarHBondContact O-N 3.12Å; P350-V377 VanDerWaalsContact O-CG2 3.31Å; P350-V377 WeakPolarHBondContact O-CG2 3.4Å
351	K	83.5	Confident	78.1	Confident	153 Å²	153	70.6 Å²	70.6	67%	0.665	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-26.9	-175.1	-73.6	-176.4	172.8	-177.3	0	114.9	Q374	K351-Q374 VanDerWaalsContact CG-OE1 3.3Å
352	D	85.5	Confident	80.1	Confident	68 Å²	68	70 Å²	70	36%	0.364	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	13.5	-177.9	62.5	3.1	0	0	0	113.7	P350 A355 K356	P350-D352 PolarHBondContact O-N 2.88Å; D352-A355 PolarHBondContact O-N 3.19Å; D352-K356 VanDerWaalsContact CG-CE 3.42Å; D352-K356 WeakPolarHBondContact O-CG 3.47Å; D352-K356 PolarHBondContact O-N 2.93Å; D352-K356 IonicContact OD1-NZ 2.86Å; D352-K356 PolarHBondContact OD1-NZ 2.89Å; D352-K356 WeakPolarHBondContact OD2-CE 3.37Å; D352-K356 IonicContact OD2-NZ 2.63Å; D352-K356 PolarHBondContact OD2-NZ 2.92Å
353	F	90.6	Very high	82.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.7	-55.7	-177.2	-173.1	-85.8	0	0	0	111.9	I318 F323 L332 P350 A355 K356 F357 L363 M381	I318-F353 HydrophobicContact CD1-CE2 4.35Å; I318-F353 HydrophobicContact CG1-CE2 4.41Å; I318-F353 HydrophobicContact CG2-CD2 4.37Å; I318-F353 HydrophobicContact CG2-CE2 4Å; F323-F353 AromaticContact CE1-CD2 3.88Å; F323-F353 HydrophobicContact CE1-CD2 3.88Å; F323-F353 HydrophobicContact CE1-CE2 4.43Å; F323-F353 HydrophobicContact CZ-CD2 4.22Å; L332-F353 HydrophobicContact CD2-CZ 4.14Å; P350-F353 WeakPolarHBondContact O-CB 3.24Å; P350-F353 PolarHBondContact O-N 3.12Å; F353-A355 VanDerWaalsContact C-N 3.33Å; F353-A355 PolarHBondContact O-N 2.87Å; F353-K356 PolarHBondContact O-N 3.35Å; F353-F357 HydrophobicContact CD1-CD2 4.12Å; F353-F357 HydrophobicContact CD2-CD2 4.13Å; F353-F357 HydrophobicContact CD2-CE2 4.01Å; F353-F357 AromaticContact CE1-CD2 3.92Å; F353-F357 HydrophobicContact CE1-CD2 3.92Å; F353-F357 HydrophobicContact CE1-CE2 4.48Å; F353-F357 AromaticContact CE2-CD2 3.95Å; F353-F357 HydrophobicContact CE2-CD2 3.95Å; F353-F357 AromaticContact CE2-CE2 3.7Å; F353-F357 HydrophobicContact CE2-CE2 3.7Å; F353-F357 HydrophobicContact CG-CD2 4.22Å; F353-F357 AromaticContact CZ-CD2 3.83Å; F353-F357 HydrophobicContact CZ-CD2 3.83Å; F353-F357 AromaticContact CZ-CE2 3.96Å; F353-F357 HydrophobicContact CZ-CE2 3.96Å; F353-F357 WeakPolarHBondContact O-CD2 3.37Å; F353-F357 PolarHBondContact O-N 3.28Å; F353-F357 VanDerWaalsContact O-N 3.12Å; F353-L363 HydrophobicContact CE1-CD1 4.11Å; F353-L363 HydrophobicContact CE1-CD2 3.76Å; F353-L363 HydrophobicContact CZ-CD1 4.14Å; F353-M381 HydrophobicContact CE1-SD 4.49Å
354	G	87.7	Confident	84.6	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-36.8	178.1	0	0	0	0	0	113.5	K356 F357 V377 C379 M381	G354-K356 PolarHBondContact O-N 2.79Å; G354-F357 PolarHBondContact O-N 2.99Å; G354-V377 PolarHBondContact N-O 3.05Å; G354-C379 CarbonylContact C-O 3.25Å; G354-C379 WeakPolarHBondContact CA-O 3.32Å; G354-M381 VanDerWaalsContact CA-CG 3.45Å
355	A	88.6	Confident	86.7	Confident	51 Å²	51	48.7 Å²	48.7	42%	0.421	25%	0.248	S	C	.	.	H	α-helix	trans	-66.3	-26.7	-179.6	0	0	0	0	0	112.6	D352 F353 Q358 C379	D352-A355 PolarHBondContact O-N 3.19Å; F353-A355 VanDerWaalsContact C-N 3.33Å; F353-A355 PolarHBondContact O-N 2.87Å; A355-Q358 WeakPolarHBondContact O-CG 3.37Å; A355-Q358 PolarHBondContact O-NE2 2.88Å; A355-C379 WeakPolarHBondContact CA-O 3.05Å; A355-C379 PolarHBondContact N-O 2.75Å
356	K	89.3	Confident	88.4	Confident	64 Å²	64	43 Å²	43	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-78.9	-52.5	171.5	-73.6	171.4	-175.9	155.4	0	111.3	F323 H326 D352 F353 G354 Q358	F323-K356 HydrophobicContact CB-CD 4.25Å; F323-K356 HydrophobicContact CD1-CB 4.46Å; F323-K356 HydrophobicContact CD1-CD 3.36Å; F323-K356 HydrophobicContact CE1-CD 3.93Å; F323-K356 HydrophobicContact CG-CD 3.99Å; H326-K356 HydrophobicContact CB-CB 3.92Å; H326-K356 WeakPolarHBondContact CB-O 3.42Å; D352-K356 VanDerWaalsContact CG-CE 3.42Å; D352-K356 WeakPolarHBondContact O-CG 3.47Å; D352-K356 PolarHBondContact O-N 2.93Å; D352-K356 IonicContact OD1-NZ 2.86Å; D352-K356 PolarHBondContact OD1-NZ 2.89Å; D352-K356 WeakPolarHBondContact OD2-CE 3.37Å; D352-K356 IonicContact OD2-NZ 2.63Å; D352-K356 PolarHBondContact OD2-NZ 2.92Å; F353-K356 PolarHBondContact O-N 3.35Å; G354-K356 PolarHBondContact O-N 2.79Å; K356-Q358 VanDerWaalsContact C-N 3.29Å; K356-Q358 PolarHBondContact O-N 2.71Å
357	F	90.7	Very high	89.7	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.			trans	-86.8	50.7	-169.4	-69	-68.6	0	0	0	114.7	L322 F323 H326 L329 F353 G354 M359 L360	L322-F357 HydrophobicContact CD2-CZ 4.28Å; L322-F357 HydrophobicContact CG-CE1 4.49Å; L322-F357 HydrophobicContact CG-CZ 3.9Å; F323-F357 AromaticContact CD1-CE2 3.55Å; F323-F357 HydrophobicContact CD1-CE2 3.55Å; F323-F357 AromaticContact CD1-CZ 3.83Å; F323-F357 HydrophobicContact CD1-CZ 3.83Å; F323-F357 AromaticContact CE1-CE2 3.63Å; F323-F357 HydrophobicContact CE1-CE2 3.63Å; F323-F357 HydrophobicContact CE1-CZ 4.31Å; H326-F357 HydrophobicContact CB-CD1 4.24Å; H326-F357 HydrophobicContact CB-CE1 4.19Å; L329-F357 HydrophobicContact CD1-CE1 4.19Å; F353-F357 HydrophobicContact CD1-CD2 4.12Å; F353-F357 HydrophobicContact CD2-CD2 4.13Å; F353-F357 HydrophobicContact CD2-CE2 4.01Å; F353-F357 AromaticContact CE1-CD2 3.92Å; F353-F357 HydrophobicContact CE1-CD2 3.92Å; F353-F357 HydrophobicContact CE1-CE2 4.48Å; F353-F357 AromaticContact CE2-CD2 3.95Å; F353-F357 HydrophobicContact CE2-CD2 3.95Å; F353-F357 AromaticContact CE2-CE2 3.7Å; F353-F357 HydrophobicContact CE2-CE2 3.7Å; F353-F357 HydrophobicContact CG-CD2 4.22Å; F353-F357 AromaticContact CZ-CD2 3.83Å; F353-F357 HydrophobicContact CZ-CD2 3.83Å; F353-F357 AromaticContact CZ-CE2 3.96Å; F353-F357 HydrophobicContact CZ-CE2 3.96Å; F353-F357 WeakPolarHBondContact O-CD2 3.37Å; F353-F357 PolarHBondContact O-N 3.28Å; F353-F357 VanDerWaalsContact O-N 3.12Å; G354-F357 PolarHBondContact O-N 2.99Å; F357-M359 PolarHBondContact O-N 2.71Å; F357-M359 VanDerWaalsContact O-N 3.1Å; F357-L360 HydrophobicContact CB-CD1 3.54Å; F357-L360 HydrophobicContact CB-CG 3.87Å; F357-L360 HydrophobicContact CD1-CD1 4.34Å; F357-L360 HydrophobicContact CG-CD1 3.96Å; F357-L360 HydrophobicContact CG-CG 4.47Å; F357-L360 PolarHBondContact O-N 3.25Å
358	Q	89.9	Confident	90.5	Very high	108 Å²	108	40.4 Å²	40.4	51%	0.505	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.1	-173.1	-58.6	176.9	11.7	0	0	114.9	A355 K356	A355-Q358 WeakPolarHBondContact O-CG 3.37Å; A355-Q358 PolarHBondContact O-NE2 2.88Å; K356-Q358 VanDerWaalsContact C-N 3.29Å; K356-Q358 PolarHBondContact O-N 2.71Å
359	M	90.9	Very high	90.8	Very high	102 Å²	102	39.8 Å²	39.8	50%	0.502	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-4.1	-179.2	-61.5	-71.1	90.4	0	0	113.9	L329 E330 F357 K361	L329-M359 CarbonylContact O-C 3.15Å; L329-M359 WeakPolarHBondContact O-CB 3.45Å; E330-M359 WeakPolarHBondContact CA-O 3.15Å; F357-M359 PolarHBondContact O-N 2.71Å; F357-M359 VanDerWaalsContact O-N 3.1Å; M359-K361 PolarHBondContact O-N 3.4Å
360	L	94.8	Very high	90.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.			trans	-66.3	129.2	-179.8	-77.8	179.5	0	0	0	111.6	L329 L332 F357 L363 M381 G383 L384	L329-L360 HydrophobicContact CB-CD2 3.94Å; L329-L360 PolarHBondContact O-N 2.98Å; L332-L360 HydrophobicContact CB-CD1 4.32Å; L332-L360 HydrophobicContact CB-CD2 3.79Å; L332-L360 HydrophobicContact CD2-CD1 4.31Å; F357-L360 HydrophobicContact CB-CD1 3.54Å; F357-L360 HydrophobicContact CB-CG 3.87Å; F357-L360 HydrophobicContact CD1-CD1 4.34Å; F357-L360 HydrophobicContact CG-CD1 3.96Å; F357-L360 HydrophobicContact CG-CG 4.47Å; F357-L360 PolarHBondContact O-N 3.25Å; L360-L363 HydrophobicContact CD1-CB 4.44Å; L360-L363 HydrophobicContact CD1-CD1 4.15Å; L360-M381 HydrophobicContact CD1-SD 4.38Å; L360-G383 CarbonylContact O-C 3.52Å; L360-L384 HydrophobicContact CB-CD1 3.98Å; L360-L384 VanDerWaalsContact O-CA 3.32Å; L360-L384 WeakPolarHBondContact O-CA 3.41Å; L360-L384 PolarHBondContact O-N 3.5Å
361	K	95.7	Very high	90.9	Very high	81 Å²	81	39.1 Å²	39.1	35%	0.352	20%	0.199	S	C	.	.	S	Bend	trans	-99.8	-36	167.5	-71.2	169.8	162.9	-80.3	0	111.4	E330 M359 E385 L386	E330-K361 HydrophobicContact CB-CD 4.48Å; E330-K361 WeakPolarHBondContact O-CA 3.49Å; E330-K361 WeakPolarHBondContact O-CB 3.41Å; E330-K361 PolarHBondContact O-N 2.86Å; M359-K361 PolarHBondContact O-N 3.4Å; K361-E385 HydrophobicContact CB-CG 4.49Å; K361-E385 IonicContact NZ-OE1 2.55Å; K361-E385 PolarHBondContact NZ-OE1 3.41Å; K361-E385 IonicContact NZ-OE2 3.71Å; K361-E385 WeakPolarHBondContact O-CA 3.47Å; K361-E385 PolarHBondContact O-N 3Å; K361-L386 PolarHBondContact O-N 2.83Å
362	V	96.4	Very high	91	Very high	22 Å²	22	33.8 Å²	33.8	13%	0.133	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.7	-179.1	-179.3	0	0	0	0	110.3	E330 Y331 L332 K364 L386	E330-V362 PolarHBondContact O-N 3.46Å; Y331-V362 WeakPolarHBondContact CA-O 3.24Å; Y331-V362 HydrophobicContact CD2-CB 3.44Å; Y331-V362 VanDerWaalsContact CD2-CB 3.44Å; Y331-V362 HydrophobicContact CD2-CG1 3.65Å; Y331-V362 HydrophobicContact CD2-CG2 3.76Å; Y331-V362 HydrophobicContact CE1-CG1 4.45Å; Y331-V362 HydrophobicContact CE2-CB 3.8Å; Y331-V362 HydrophobicContact CE2-CG1 3.45Å; Y331-V362 VanDerWaalsContact CE2-CG1 3.45Å; Y331-V362 HydrophobicContact CE2-CG2 4.06Å; Y331-V362 HydrophobicContact CG-CB 3.98Å; Y331-V362 HydrophobicContact CG-CG1 4.24Å; L332-V362 PolarHBondContact N-O 3.04Å; V362-K364 HydrophobicContact CG1-CG 4.21Å; V362-L386 HydrophobicContact CG1-CB 4.2Å; V362-L386 HydrophobicContact CG1-CD2 4.08Å; V362-L386 HydrophobicContact CG2-CB 4.17Å
363	L	96.6	Very high	91.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117	177.1	177.7	57.9	0	0	0	109.6	L332 F353 L360 L365 M381 L384 L386 L387 D388	L332-L363 HydrophobicContact CB-CD1 4.35Å; L332-L363 HydrophobicContact CD2-CD1 3.96Å; L332-L363 HydrophobicContact CG-CD1 4.27Å; F353-L363 HydrophobicContact CE1-CD1 4.11Å; F353-L363 HydrophobicContact CE1-CD2 3.76Å; F353-L363 HydrophobicContact CZ-CD1 4.14Å; L360-L363 HydrophobicContact CD1-CB 4.44Å; L360-L363 HydrophobicContact CD1-CD1 4.15Å; L363-L365 HydrophobicContact CD1-CD1 4.08Å; L363-L365 HydrophobicContact CD1-CD2 3.89Å; L363-L365 HydrophobicContact CD1-CG 3.84Å; L363-L365 HydrophobicContact CD2-CD1 3.92Å; L363-L365 HydrophobicContact CD2-CG 4.49Å; L363-L365 HydrophobicContact CG-CD1 3.89Å; L363-L365 HydrophobicContact CG-CG 3.92Å; L363-M381 HydrophobicContact CD2-CE 3.84Å; L363-M381 HydrophobicContact CD2-SD 3.92Å; L363-L384 HydrophobicContact CB-CD1 3.76Å; L363-L384 HydrophobicContact CB-CD2 4.44Å; L363-L386 PolarHBondContact N-O 3.25Å; L363-L387 HydrophobicContact CB-CD1 4.16Å; L363-L387 HydrophobicContact CD2-CD1 3.93Å; L363-L387 HydrophobicContact CG-CD1 4.01Å; L363-L387 WeakPolarHBondContact O-CA 3.47Å; L363-D388 PolarHBondContact O-N 2.93Å
364	K	96.2	Very high	91	Very high	52 Å²	52	33.7 Å²	33.7	23%	0.226	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.8	176.4	-58.1	-179.7	167.8	-178.2	0	111.5	Y331 L332 D333 L334 S335 V362 L386 D388	Y331-K364 WeakPolarHBondContact OH-CE 3.27Å; Y331-K364 PolarHBondContact OH-NZ 3.26Å; L332-K364 PolarHBondContact O-N 3.49Å; D333-K364 HydrophobicContact CB-CB 4.25Å; D333-K364 HydrophobicContact CB-CD 4.33Å; D333-K364 WeakPolarHBondContact OD2-CD 3.28Å; L334-K364 PolarHBondContact N-O 2.93Å; S335-K364 WeakPolarHBondContact OG-CB 3.4Å; V362-K364 HydrophobicContact CG1-CG 4.21Å; K364-L386 HydrophobicContact CG-CD2 4.34Å; K364-D388 HydrophobicContact CB-CB 4.3Å; K364-D388 HydrophobicContact CG-CB 4.11Å
365	L	94.6	Very high	91	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.			trans	-135.9	27.3	-172.9	-59.7	174.9	0	0	0	111	L334 L349 L363 M368 L370 D388 L389 N392	L334-L365 HydrophobicContact CB-CD2 4.11Å; L334-L365 HydrophobicContact CD1-CD2 4.01Å; L349-L365 HydrophobicContact CD1-CD1 3.79Å; L349-L365 HydrophobicContact CD2-CD1 4.24Å; L363-L365 HydrophobicContact CD1-CD1 4.08Å; L363-L365 HydrophobicContact CD1-CD2 3.89Å; L363-L365 HydrophobicContact CD1-CG 3.84Å; L363-L365 HydrophobicContact CD2-CD1 3.92Å; L363-L365 HydrophobicContact CD2-CG 4.49Å; L363-L365 HydrophobicContact CG-CD1 3.89Å; L363-L365 HydrophobicContact CG-CG 3.92Å; L365-M368 WeakPolarHBondContact CA-SD 3.29Å; L365-M368 HydrophobicContact CB-SD 3.64Å; L365-M368 HydrophobicContact CD2-CE 4.27Å; L365-M368 HydrophobicContact CD2-SD 3.4Å; L365-M368 WeakPolarHBondContact CD2-SD 3.19Å; L365-M368 HydrophobicContact CG-SD 4.12Å; L365-M368 WeakPolarHBondContact O-CB 3.4Å; L365-M368 WeakPolarHBondContact O-CG 3.35Å; L365-L370 HydrophobicContact CB-CD1 4.28Å; L365-D388 CarbonylContact C-O 3.4Å; L365-D388 WeakPolarHBondContact CA-O 3.13Å; L365-D388 PolarHBondContact N-O 3.38Å; L365-L389 HydrophobicContact CB-CD2 3.83Å; L365-L389 HydrophobicContact CD1-CD2 3.97Å; L365-N392 PolarHBondContact O-ND2 3.22Å
366	S	93.1	Very high	91	Very high	13 Å²	13	37.2 Å²	37.2	9%	0.091	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	151.4	-177.8	44.6	0	0	0	0	112.7	S335 D336 M368 D388 S390	S335-S366 CarbonylContact C-O 3.59Å; S335-S366 WeakPolarHBondContact CA-O 3.29Å; S335-S366 WeakPolarHBondContact CB-O 3.41Å; S335-S366 WeakPolarHBondContact CB-OG 3.26Å; S335-S366 PolarHBondContact OG-OG 3.07Å; D336-S366 PolarHBondContact N-O 2.84Å; S366-M368 PolarHBondContact O-N 2.72Å; S366-D388 VanDerWaalsContact CB-OD2 3.25Å; S366-D388 WeakPolarHBondContact CB-OD2 3.49Å; S366-D388 PolarHBondContact OG-OD2 3.48Å; S366-S390 CarbonylContact C-O 3.49Å; S366-S390 WeakPolarHBondContact CA-O 3.42Å; S366-S390 WeakPolarHBondContact CB-O 3.48Å; S366-S390 VanDerWaalsContact CB-OG 3.24Å; S366-S390 WeakPolarHBondContact CB-OG 3.32Å
367	S	91.1	Very high	91.1	Very high	26 Å²	26	34.2 Å²	34.2	18%	0.182	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	27.4	-176.2	-53.6	0	0	0	0	115	D336 S390 R391	D336-S367 WeakPolarHBondContact OD1-CB 3.35Å; D336-S367 PolarHBondContact OD1-OG 3.36Å; S367-S390 PolarHBondContact N-O 3.26Å; S367-R391 WeakPolarHBondContact CA-O 3.02Å
368	M	89.8	Confident	91.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.184	C	C	.	.	S	Bend	trans	-92.4	5.2	-176.1	-72.7	-168.7	73.7	0	0	115.2	I318 L334 N337 L339 L365 S366 L370 N392	I318-M368 HydrophobicContact CD1-CE 3.96Å; L334-M368 HydrophobicContact CB-CE 3.95Å; L334-M368 HydrophobicContact CB-SD 3.77Å; N337-M368 WeakPolarHBondContact O-CA 3.26Å; L339-M368 VanDerWaalsContact CB-O 3.29Å; L339-M368 WeakPolarHBondContact CB-O 3.42Å; L339-M368 HydrophobicContact CD1-CE 3.68Å; L339-M368 HydrophobicContact CD2-CE 3.76Å; L339-M368 HydrophobicContact CG-CB 4.36Å; L339-M368 HydrophobicContact CG-CE 3.8Å; L339-M368 VanDerWaalsContact CG-O 3.3Å; L339-M368 WeakPolarHBondContact CG-O 3.38Å; L365-M368 WeakPolarHBondContact CA-SD 3.29Å; L365-M368 HydrophobicContact CB-SD 3.64Å; L365-M368 HydrophobicContact CD2-CE 4.27Å; L365-M368 HydrophobicContact CD2-SD 3.4Å; L365-M368 WeakPolarHBondContact CD2-SD 3.19Å; L365-M368 HydrophobicContact CG-SD 4.12Å; L365-M368 WeakPolarHBondContact O-CB 3.4Å; L365-M368 WeakPolarHBondContact O-CG 3.35Å; S366-M368 PolarHBondContact O-N 2.72Å; M368-L370 HydrophobicContact CB-CD1 4.33Å; M368-L370 HydrophobicContact CB-CG 4.06Å; M368-L370 PolarHBondContact O-N 3.09Å; M368-N392 VanDerWaalsContact C-OD1 3.27Å; M368-N392 WeakPolarHBondContact CA-OD1 3.38Å; M368-N392 PolarHBondContact N-OD1 3.44Å
369	N	88	Confident	90.9	Very high	42 Å²	42	31.4 Å²	31.4	23%	0.225	18%	0.175	C	C	.	.			trans	62.9	16.3	-179.1	-164.3	39.9	0	0	0	114.3	L339 N392 K393	L339-N369 PolarHBondContact O-ND2 2.74Å; N369-N392 PolarHBondContact N-OD1 2.99Å; N369-K393 VanDerWaalsContact OD1-CD 3.31Å; N369-K393 WeakPolarHBondContact OD1-CD 3.31Å; N369-K393 WeakPolarHBondContact OD1-CE 3.29Å; N369-K393 PolarHBondContact OD1-NZ 3.19Å
370	L	89.2	Confident	90.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.164	C	C	.	.			trans	-60	138.1	178.6	-65.9	170.3	0	0	0	111.2	L339 V347 L349 L365 M368 L389 N392 K393 I394	L339-L370 HydrophobicContact CD1-CD2 4.31Å; V347-L370 HydrophobicContact CG1-CD2 4Å; L349-L370 HydrophobicContact CD2-CD2 4.15Å; L349-L370 HydrophobicContact CG-CD1 4.48Å; L349-L370 HydrophobicContact CG-CD2 4.13Å; L365-L370 HydrophobicContact CB-CD1 4.28Å; M368-L370 HydrophobicContact CB-CD1 4.33Å; M368-L370 HydrophobicContact CB-CG 4.06Å; M368-L370 PolarHBondContact O-N 3.09Å; L370-L389 HydrophobicContact CD1-CD2 3.69Å; L370-N392 HydrophobicContact CB-CB 4.13Å; L370-N392 PolarHBondContact N-OD1 3.36Å; L370-K393 CarbonylContact O-C 3.21Å; L370-K393 VanDerWaalsContact O-C 3.31Å; L370-K393 VanDerWaalsContact O-CA 3.29Å; L370-K393 WeakPolarHBondContact O-CA 3.35Å; L370-K393 WeakPolarHBondContact O-CB 3.13Å; L370-K393 PolarHBondContact O-N 2.8Å; L370-I394 HydrophobicContact CB-CD1 4.46Å; L370-I394 HydrophobicContact CB-CG1 4.22Å; L370-I394 PolarHBondContact O-N 2.75Å
371	T	86.9	Confident	90.6	Very high	38 Å²	38	27.8 Å²	27.8	23%	0.233	17%	0.165	C	C	.	.			trans	-109.8	-32.1	-170.9	49.4	0	0	0	0	114.5	S346 V347 K393 I394 S395	S346-T371 WeakPolarHBondContact CA-OG1 3.29Å; S346-T371 WeakPolarHBondContact CB-OG1 3.28Å; V347-T371 PolarHBondContact N-OG1 3.38Å; V347-T371 PolarHBondContact O-N 3.22Å; V347-T371 PolarHBondContact O-OG1 2.71Å; T371-K393 HydrophobicContact CG2-CB 4.26Å; T371-I394 WeakPolarHBondContact O-CA 3.44Å; T371-S395 PolarHBondContact O-N 3.14Å
372	C	86.5	Confident	90.3	Very high	41 Å²	41	28.8 Å²	28.8	28%	0.277	17%	0.173	S	C	.	.			trans	-153.8	171.5	163	70.7	0	0	0	0	110.4	L348	L348-C372 WeakPolarHBondContact CD2-O 3.45Å; L348-C372 WeakPolarHBondContact CD2-SG 3.09Å
373	L	88.6	Confident	90.1	Very high	11 Å²	11	29 Å²	29	6%	0.058	18%	0.179	C	C	.	.			trans	-116.6	124.4	172.5	-65.9	171.8	0	0	0	107.7	L349 V377 L389 I394 L397 P398	L349-L373 HydrophobicContact CD1-CD2 3.94Å; L373-V377 HydrophobicContact CB-CG1 4.2Å; L373-V377 HydrophobicContact CD2-CG1 4.33Å; L373-L389 HydrophobicContact CD1-CD1 3.67Å; L373-I394 HydrophobicContact CD1-CD1 4.23Å; L373-I394 HydrophobicContact CG-CD1 4.31Å; L373-L397 HydrophobicContact CD1-CD2 4.22Å; L373-P398 HydrophobicContact CB-CG 4.23Å
374	Q	87.5	Confident	90.1	Very high	54 Å²	54	29 Å²	29	25%	0.252	18%	0.179	S	C	.	.			trans	-80	145.2	-177.8	-59.3	176.2	40.2	0	0	110.4	K351 G376 V377	K351-Q374 VanDerWaalsContact CG-OE1 3.3Å; Q374-G376 PolarHBondContact O-N 3Å; Q374-V377 HydrophobicContact CB-CB 4.45Å; Q374-V377 WeakPolarHBondContact O-CB 3.31Å; Q374-V377 WeakPolarHBondContact O-CG1 3.13Å; Q374-V377 PolarHBondContact O-N 3.32Å
375	N	87.5	Confident	90.1	Very high	97 Å²	97	29.8 Å²	29.8	52%	0.519	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	136.6	171.7	-68.6	6	0	0	0	110.4	V377 P398 D399 D400	N375-V377 VanDerWaalsContact C-N 3.34Å; N375-P398 WeakPolarHBondContact OD1-CA 3.36Å; N375-P398 WeakPolarHBondContact OD1-CB 3.31Å; N375-D399 PolarHBondContact ND2-OD2 2.61Å; N375-D399 VanDerWaalsContact ND2-OD2 3.14Å; N375-D399 PolarHBondContact OD1-N 3.09Å; N375-D400 WeakPolarHBondContact CA-OD1 3.24Å; N375-D400 WeakPolarHBondContact CB-OD1 3.24Å
376	G	87.1	Confident	90.1	Very high	28 Å²	28	31.2 Å²	31.2	29%	0.289	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	-12.5	-173.5	0	0	0	0	0	115.7	Q374 L378 C379 D400	Q374-G376 PolarHBondContact O-N 3Å; G376-L378 VanDerWaalsContact C-N 3.27Å; G376-L378 PolarHBondContact O-N 3.49Å; G376-C379 WeakPolarHBondContact O-CB 3.33Å; G376-C379 PolarHBondContact O-N 3.44Å; G376-D400 WeakPolarHBondContact CA-OD2 3.04Å; G376-D400 VanDerWaalsContact N-CG 3.27Å; G376-D400 PolarHBondContact N-OD1 3.36Å; G376-D400 PolarHBondContact N-OD2 3.24Å
377	V	91.4	Very high	90.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	19%	0.187	C	C	.	.	S	Bend	trans	-67.1	-26.5	-172.6	80.7	0	0	0	0	113.9	L349 P350 G354 L373 Q374 N375	L349-V377 HydrophobicContact CB-CG2 3.7Å; P350-V377 VanDerWaalsContact O-CG2 3.31Å; P350-V377 WeakPolarHBondContact O-CG2 3.4Å; G354-V377 PolarHBondContact N-O 3.05Å; L373-V377 HydrophobicContact CB-CG1 4.2Å; L373-V377 HydrophobicContact CD2-CG1 4.33Å; Q374-V377 HydrophobicContact CB-CB 4.45Å; Q374-V377 WeakPolarHBondContact O-CB 3.31Å; Q374-V377 WeakPolarHBondContact O-CG1 3.13Å; Q374-V377 PolarHBondContact O-N 3.32Å; N375-V377 VanDerWaalsContact C-N 3.34Å
378	L	90.8	Very high	90.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.184	C	C	.	.	S	Bend	trans	-102.9	-9.2	178.7	-52.2	179.2	0	0	0	113.2	L349 G376 G380 M381 L387 I401 L404	L349-L378 HydrophobicContact CD1-CD2 4.48Å; G376-L378 VanDerWaalsContact C-N 3.27Å; G376-L378 PolarHBondContact O-N 3.49Å; L378-G380 PolarHBondContact O-N 3.31Å; L378-M381 HydrophobicContact CB-CE 3.85Å; L378-M381 HydrophobicContact CD2-CE 3.6Å; L378-M381 HydrophobicContact CG-CE 4.27Å; L378-M381 PolarHBondContact O-N 3.21Å; L378-L387 HydrophobicContact CD1-CD2 4.06Å; L378-I401 HydrophobicContact CD1-CD1 3.68Å; L378-L404 HydrophobicContact CB-CD2 4.29Å; L378-L404 HydrophobicContact CD1-CD1 4.13Å
379	C	87.1	Confident	90.8	Very high	48 Å²	48	30.4 Å²	30.4	32%	0.324	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	134.4	178.3	-90.9	0	0	0	0	111.4	G354 A355 G376 D400	G354-C379 CarbonylContact C-O 3.25Å; G354-C379 WeakPolarHBondContact CA-O 3.32Å; A355-C379 WeakPolarHBondContact CA-O 3.05Å; A355-C379 PolarHBondContact N-O 2.75Å; G376-C379 WeakPolarHBondContact O-CB 3.33Å; G376-C379 PolarHBondContact O-N 3.44Å; C379-D400 PolarHBondContact SG-OD2 2.86Å
380	G	86.2	Confident	91.1	Very high	26 Å²	26	29.3 Å²	29.3	27%	0.268	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	-19	-179.5	0	0	0	0	0	114.7	L378 I382	L378-G380 PolarHBondContact O-N 3.31Å; G380-I382 PolarHBondContact O-N 3.29Å
381	M	91.5	Very high	91.3	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.2	C	C	.	.			trans	-81.4	51.4	174	-55.3	-168.4	-62.2	0	0	111.9	F353 G354 L360 L363 L378 G383 L384 L404	F353-M381 HydrophobicContact CE1-SD 4.49Å; G354-M381 VanDerWaalsContact CA-CG 3.45Å; L360-M381 HydrophobicContact CD1-SD 4.38Å; L363-M381 HydrophobicContact CD2-CE 3.84Å; L363-M381 HydrophobicContact CD2-SD 3.92Å; L378-M381 HydrophobicContact CB-CE 3.85Å; L378-M381 HydrophobicContact CD2-CE 3.6Å; L378-M381 HydrophobicContact CG-CE 4.27Å; L378-M381 PolarHBondContact O-N 3.21Å; M381-G383 PolarHBondContact O-N 2.82Å; M381-G383 VanDerWaalsContact O-N 3.14Å; M381-L384 HydrophobicContact CB-CB 4.12Å; M381-L384 HydrophobicContact CE-CD2 3.96Å; M381-L384 VanDerWaalsContact O-CB 3.32Å; M381-L384 WeakPolarHBondContact O-CB 3.32Å; M381-L384 PolarHBondContact O-N 2.92Å; M381-L384 VanDerWaalsContact O-N 3.09Å; M381-L404 HydrophobicContact CB-CD2 3.94Å; M381-L404 HydrophobicContact CE-CD2 4.29Å
382	I	90.2	Very high	91.5	Very high	102 Å²	102	33.4 Å²	33.4	52%	0.523	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.2	-172.9	58.5	173.5	0	0	0	113.8	G380 I405 S406	G380-I382 PolarHBondContact O-N 3.29Å; I382-I405 HydrophobicContact CB-CG1 4.44Å; I382-I405 WeakPolarHBondContact O-CG1 3.48Å; I382-S406 PolarHBondContact O-OG 2.83Å
383	G	92.6	Very high	91.7	Very high	26 Å²	26	36.2 Å²	36.2	27%	0.268	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	14.3	178.4	0	0	0	0	0	114.8	L360 M381 E385	L360-G383 CarbonylContact O-C 3.52Å; M381-G383 PolarHBondContact O-N 2.82Å; M381-G383 VanDerWaalsContact O-N 3.14Å; G383-E385 PolarHBondContact O-N 3.47Å
384	L	95.9	Very high	91.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.196	C	C	.	.			trans	-72.2	121.6	178.9	-165	74.7	0	0	0	110.4	L360 L363 M381 L387 L404 S406 L407	L360-L384 HydrophobicContact CB-CD1 3.98Å; L360-L384 VanDerWaalsContact O-CA 3.32Å; L360-L384 WeakPolarHBondContact O-CA 3.41Å; L360-L384 PolarHBondContact O-N 3.5Å; L363-L384 HydrophobicContact CB-CD1 3.76Å; L363-L384 HydrophobicContact CB-CD2 4.44Å; M381-L384 HydrophobicContact CB-CB 4.12Å; M381-L384 HydrophobicContact CE-CD2 3.96Å; M381-L384 VanDerWaalsContact O-CB 3.32Å; M381-L384 WeakPolarHBondContact O-CB 3.32Å; M381-L384 PolarHBondContact O-N 2.92Å; M381-L384 VanDerWaalsContact O-N 3.09Å; L384-L387 HydrophobicContact CD2-CB 3.94Å; L384-L387 HydrophobicContact CD2-CD1 4.31Å; L384-L387 HydrophobicContact CD2-CD2 4.35Å; L384-L387 HydrophobicContact CD2-CG 4.43Å; L384-L404 HydrophobicContact CB-CD2 4.31Å; L384-L404 HydrophobicContact CD2-CD1 4.26Å; L384-L404 HydrophobicContact CD2-CD2 4.17Å; L384-S406 CarbonylContact O-C 3.48Å; L384-L407 HydrophobicContact CD2-CD1 4.12Å; L384-L407 HydrophobicContact CG-CD1 4.17Å; L384-L407 WeakPolarHBondContact O-CA 3.46Å; L384-L407 PolarHBondContact O-N 3.39Å; L384-L407 VanDerWaalsContact O-N 3.09Å
385	E	96	Very high	92.1	Very high	69 Å²	69	35.4 Å²	35.4	32%	0.322	20%	0.2	S	C	.	.			trans	-99.2	-35.1	-178.3	-67.3	164.2	-176.3	0	0	111.6	K361 G383 E408 E409	K361-E385 HydrophobicContact CB-CG 4.49Å; K361-E385 IonicContact NZ-OE1 2.55Å; K361-E385 PolarHBondContact NZ-OE1 3.41Å; K361-E385 IonicContact NZ-OE2 3.71Å; K361-E385 WeakPolarHBondContact O-CA 3.47Å; K361-E385 PolarHBondContact O-N 3Å; G383-E385 PolarHBondContact O-N 3.47Å; E385-E408 PolarHBondContact O-N 2.86Å; E385-E409 PolarHBondContact O-N 3.35Å
386	L	96.1	Very high	92.3	Very high	30 Å²	30	36.6 Å²	36.6	16%	0.157	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.5	179.5	-169.5	160.3	0	0	0	111.7	K361 V362 L363 K364 D388 E409 F411	K361-L386 PolarHBondContact O-N 2.83Å; V362-L386 HydrophobicContact CG1-CB 4.2Å; V362-L386 HydrophobicContact CG1-CD2 4.08Å; V362-L386 HydrophobicContact CG2-CB 4.17Å; L363-L386 PolarHBondContact N-O 3.25Å; K364-L386 HydrophobicContact CG-CD2 4.34Å; L386-D388 HydrophobicContact CD2-CB 4.16Å; L386-E409 WeakPolarHBondContact CA-O 3.41Å; L386-E409 HydrophobicContact CB-CB 4.39Å; L386-E409 HydrophobicContact CD1-CB 4.28Å; L386-E409 VanDerWaalsContact CD1-OE2 3.3Å; L386-E409 WeakPolarHBondContact CD1-OE2 3.34Å; L386-E409 HydrophobicContact CG-CB 3.96Å; L386-F411 HydrophobicContact CD1-CE2 4.25Å; L386-F411 HydrophobicContact CD2-CD2 4.37Å; L386-F411 HydrophobicContact CD2-CE2 4.34Å; L386-F411 HydrophobicContact CG-CE2 4.17Å
387	L	96.7	Very high	92.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	114.3	171.7	-177.8	53.8	0	0	0	110.6	L363 L378 L384 L389 L404 L407 E409 F410 F411	L363-L387 HydrophobicContact CB-CD1 4.16Å; L363-L387 HydrophobicContact CD2-CD1 3.93Å; L363-L387 HydrophobicContact CG-CD1 4.01Å; L363-L387 WeakPolarHBondContact O-CA 3.47Å; L378-L387 HydrophobicContact CD1-CD2 4.06Å; L384-L387 HydrophobicContact CD2-CB 3.94Å; L384-L387 HydrophobicContact CD2-CD1 4.31Å; L384-L387 HydrophobicContact CD2-CD2 4.35Å; L384-L387 HydrophobicContact CD2-CG 4.43Å; L387-L389 HydrophobicContact CD1-CD1 3.96Å; L387-L389 HydrophobicContact CD1-CG 4Å; L387-L389 HydrophobicContact CD2-CD1 3.77Å; L387-L389 HydrophobicContact CG-CD1 3.79Å; L387-L389 HydrophobicContact CG-CG 4.15Å; L387-L404 HydrophobicContact CD2-CD1 3.93Å; L387-L407 HydrophobicContact CB-CD1 3.81Å; L387-E409 PolarHBondContact N-O 3.2Å; L387-F410 HydrophobicContact CB-CD2 4.08Å; L387-F410 HydrophobicContact CB-CE2 4.35Å; L387-F410 HydrophobicContact CD2-CD2 4.2Å; L387-F410 HydrophobicContact CD2-CE2 3.66Å; L387-F410 HydrophobicContact CD2-CZ 4.07Å; L387-F410 HydrophobicContact CG-CD2 4.11Å; L387-F410 HydrophobicContact CG-CE2 3.9Å; L387-F410 WeakPolarHBondContact O-CA 3.26Å; L387-F411 PolarHBondContact O-N 3.4Å
388	D	96.4	Very high	92.6	Very high	22 Å²	22	35.9 Å²	35.9	12%	0.118	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115	171.9	177.5	20.2	0	0	0	110.8	L363 K364 L365 S366 L386 S390 F411	L363-D388 PolarHBondContact O-N 2.93Å; K364-D388 HydrophobicContact CB-CB 4.3Å; K364-D388 HydrophobicContact CG-CB 4.11Å; L365-D388 CarbonylContact C-O 3.4Å; L365-D388 WeakPolarHBondContact CA-O 3.13Å; L365-D388 PolarHBondContact N-O 3.38Å; S366-D388 VanDerWaalsContact CB-OD2 3.25Å; S366-D388 WeakPolarHBondContact CB-OD2 3.49Å; S366-D388 PolarHBondContact OG-OD2 3.48Å; L386-D388 HydrophobicContact CD2-CB 4.16Å; D388-S390 VanDerWaalsContact OD1-CB 3.31Å; D388-S390 WeakPolarHBondContact OD1-CB 3.38Å; D388-S390 PolarHBondContact OD1-N 3.39Å; D388-S390 PolarHBondContact OD1-OG 2.91Å; D388-F411 HydrophobicContact CB-CB 4.36Å; D388-F411 HydrophobicContact CB-CD2 4.28Å
389	L	95.6	Very high	92.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.217	C	C	.	.			trans	-125	17.3	177.6	-78.8	164.1	0	0	0	111.3	L365 L370 L373 L387 N392 I394 F410 F411 L412 N415	L365-L389 HydrophobicContact CB-CD2 3.83Å; L365-L389 HydrophobicContact CD1-CD2 3.97Å; L370-L389 HydrophobicContact CD1-CD2 3.69Å; L373-L389 HydrophobicContact CD1-CD1 3.67Å; L387-L389 HydrophobicContact CD1-CD1 3.96Å; L387-L389 HydrophobicContact CD1-CG 4Å; L387-L389 HydrophobicContact CD2-CD1 3.77Å; L387-L389 HydrophobicContact CG-CD1 3.79Å; L387-L389 HydrophobicContact CG-CG 4.15Å; L389-N392 PolarHBondContact O-ND2 3.42Å; L389-I394 HydrophobicContact CB-CD1 4.11Å; L389-I394 HydrophobicContact CD1-CD1 4.47Å; L389-I394 HydrophobicContact CD2-CD1 4Å; L389-I394 HydrophobicContact CG-CD1 4.44Å; L389-F410 HydrophobicContact CD1-CE2 4.03Å; L389-F411 CarbonylContact C-O 3.12Å; L389-F411 WeakPolarHBondContact CA-O 3.48Å; L389-F411 PolarHBondContact N-O 3.32Å; L389-L412 HydrophobicContact CB-CD2 3.92Å; L389-L412 HydrophobicContact CD1-CD2 4.32Å; L389-N415 PolarHBondContact O-ND2 2.96Å
390	S	93.4	Very high	92.6	Very high	19 Å²	19	39.7 Å²	39.7	13%	0.133	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	156.2	179.9	61.4	0	0	0	0	113.1	S366 S367 D388 N392 F411 S413	S366-S390 CarbonylContact C-O 3.49Å; S366-S390 WeakPolarHBondContact CA-O 3.42Å; S366-S390 WeakPolarHBondContact CB-O 3.48Å; S366-S390 VanDerWaalsContact CB-OG 3.24Å; S366-S390 WeakPolarHBondContact CB-OG 3.32Å; S367-S390 PolarHBondContact N-O 3.26Å; D388-S390 VanDerWaalsContact OD1-CB 3.31Å; D388-S390 WeakPolarHBondContact OD1-CB 3.38Å; D388-S390 PolarHBondContact OD1-N 3.39Å; D388-S390 PolarHBondContact OD1-OG 2.91Å; S390-N392 VanDerWaalsContact C-N 3.28Å; S390-N392 PolarHBondContact O-N 3.44Å; S390-N392 PolarHBondContact O-ND2 2.8Å; S390-F411 PolarHBondContact N-O 2.92Å; S390-S413 CarbonylContact C-O 3.05Å; S390-S413 WeakPolarHBondContact CA-O 3.37Å; S390-S413 WeakPolarHBondContact CB-O 3.47Å
391	R	92.7	Very high	92.9	Very high	116 Å²	116	38.5 Å²	38.5	44%	0.438	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	33.5	178.1	-63.2	-176.8	170.2	153.4	13.5	115.1	S367 S413 E414 H783	S367-R391 WeakPolarHBondContact CA-O 3.02Å; R391-S413 PolarHBondContact N-O 2.82Å; R391-E414 WeakPolarHBondContact CA-O 3.15Å; R391-E414 HydrophobicContact CG-CB 3.85Å; R391-E414 HydrophobicContact CG-CG 4.31Å; R391-E414 IonicContact CZ-OE1 3.73Å; R391-E414 VanDerWaalsContact CZ-OE1 3.23Å; R391-E414 IonicContact CZ-OE2 2.74Å; R391-E414 IonicContact NE-OE1 2.72Å; R391-E414 PolarHBondContact NE-OE1 2.98Å; R391-E414 IonicContact NE-OE2 2.74Å; R391-E414 PolarHBondContact NE-OE2 3.49Å; R391-E414 VanDerWaalsContact NE-OE2 3.09Å; R391-E414 IonicContact NH2-OE1 3.35Å; R391-E414 PolarHBondContact NH2-OE1 3.47Å; R391-E414 IonicContact NH2-OE2 3.38Å; R391-H783 PolarHBondContact NH2-CE1 2.79Å
392	N	92.4	Very high	92.9	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.048	21%	0.209	C	C	.	.	S	Bend	trans	-101.9	-167.6	171.1	-76.7	-68.9	0	0	0	110.3	L365 M368 N369 L370 L389 S390 I394 N415	L365-N392 PolarHBondContact O-ND2 3.22Å; M368-N392 VanDerWaalsContact C-OD1 3.27Å; M368-N392 WeakPolarHBondContact CA-OD1 3.38Å; M368-N392 PolarHBondContact N-OD1 3.44Å; N369-N392 PolarHBondContact N-OD1 2.99Å; L370-N392 HydrophobicContact CB-CB 4.13Å; L370-N392 PolarHBondContact N-OD1 3.36Å; L389-N392 PolarHBondContact O-ND2 3.42Å; S390-N392 VanDerWaalsContact C-N 3.28Å; S390-N392 PolarHBondContact O-N 3.44Å; S390-N392 PolarHBondContact O-ND2 2.8Å; N392-I394 HydrophobicContact CB-CD1 3.98Å; N392-I394 HydrophobicContact CB-CG1 3.9Å; N392-N415 VanDerWaalsContact CA-OD1 3.32Å; N392-N415 WeakPolarHBondContact CA-OD1 3.36Å; N392-N415 WeakPolarHBondContact CB-OD1 2.7Å; N392-N415 PolarHBondContact N-OD1 3.38Å; N392-N415 PolarHBondContact O-OD1 2.94Å
393	K	90.9	Very high	92.9	Very high	99 Å²	99	37.3 Å²	37.3	43%	0.43	19%	0.193	S	C	.	.			trans	-115.9	23.2	177.5	-66	175.8	178.2	165	0	111.3	N369 L370 T371 S395 N415	N369-K393 VanDerWaalsContact OD1-CD 3.31Å; N369-K393 WeakPolarHBondContact OD1-CD 3.31Å; N369-K393 WeakPolarHBondContact OD1-CE 3.29Å; N369-K393 PolarHBondContact OD1-NZ 3.19Å; L370-K393 CarbonylContact O-C 3.21Å; L370-K393 VanDerWaalsContact O-C 3.31Å; L370-K393 VanDerWaalsContact O-CA 3.29Å; L370-K393 WeakPolarHBondContact O-CA 3.35Å; L370-K393 WeakPolarHBondContact O-CB 3.13Å; L370-K393 PolarHBondContact O-N 2.8Å; T371-K393 HydrophobicContact CG2-CB 4.26Å; K393-S395 PolarHBondContact O-N 2.78Å; K393-N415 PolarHBondContact N-OD1 2.97Å
394	I	92.6	Very high	93	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.			trans	-65.3	120.2	-171.9	-59.4	168	0	0	0	109.5	L370 T371 L373 L389 N392 Q396 N415 K416 L417	L370-I394 HydrophobicContact CB-CD1 4.46Å; L370-I394 HydrophobicContact CB-CG1 4.22Å; L370-I394 PolarHBondContact O-N 2.75Å; T371-I394 WeakPolarHBondContact O-CA 3.44Å; L373-I394 HydrophobicContact CD1-CD1 4.23Å; L373-I394 HydrophobicContact CG-CD1 4.31Å; L389-I394 HydrophobicContact CB-CD1 4.11Å; L389-I394 HydrophobicContact CD1-CD1 4.47Å; L389-I394 HydrophobicContact CD2-CD1 4Å; L389-I394 HydrophobicContact CG-CD1 4.44Å; N392-I394 HydrophobicContact CB-CD1 3.98Å; N392-I394 HydrophobicContact CB-CG1 3.9Å; I394-Q396 WeakPolarHBondContact CG2-O 3.4Å; I394-N415 WeakPolarHBondContact CB-OD1 3.41Å; I394-N415 PolarHBondContact N-OD1 2.65Å; I394-K416 CarbonylContact O-C 3.58Å; I394-K416 VanDerWaalsContact O-C 3.22Å; I394-K416 WeakPolarHBondContact O-CA 3.46Å; I394-K416 PolarHBondContact O-N 3.07Å; I394-L417 HydrophobicContact CG2-CD2 3.87Å; I394-L417 PolarHBondContact O-N 3.44Å
395	S	90.8	Very high	92.8	Very high	49 Å²	49	41.1 Å²	41.1	34%	0.343	21%	0.207	S	C	.	.			trans	-89.3	-28.8	178.5	54.4	0	0	0	0	114.1	T371 K393 L417 T418	T371-S395 PolarHBondContact O-N 3.14Å; K393-S395 PolarHBondContact O-N 2.78Å; S395-L417 WeakPolarHBondContact O-CA 3.17Å; S395-T418 PolarHBondContact O-N 3.17Å
396	Q	91.2	Very high	92.7	Very high	121 Å²	121	40 Å²	40	57%	0.565	21%	0.207	S	C	*	.			trans	-146.3	147.6	-177.9	-68.5	178.6	-24.4	0	0	110.5	I394	I394-Q396 WeakPolarHBondContact CG2-O 3.4Å
397	L	93	Very high	92.7	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.068	20%	0.199	C	C	.	.			trans	-91.5	156	168.5	-64.1	179.7	0	0	0	110.2	L373 F410 L412 L417 L420 P421 I424	L373-L397 HydrophobicContact CD1-CD2 4.22Å; L397-F410 HydrophobicContact CD1-CE1 4.35Å; L397-F410 HydrophobicContact CD1-CZ 4.4Å; L397-F410 HydrophobicContact CD2-CZ 4.24Å; L397-L412 HydrophobicContact CD1-CD1 3.71Å; L397-L412 HydrophobicContact CD2-CD1 4.14Å; L397-L412 HydrophobicContact CD2-CD2 3.77Å; L397-L412 HydrophobicContact CG-CD1 4.46Å; L397-L417 HydrophobicContact CD1-CD1 4.44Å; L397-L417 HydrophobicContact CD2-CD1 4.47Å; L397-L417 HydrophobicContact CD2-CD2 4.16Å; L397-L417 HydrophobicContact CG-CD1 4.29Å; L397-L417 HydrophobicContact CG-CD2 3.91Å; L397-L420 HydrophobicContact CD1-CD2 3.87Å; L397-P421 HydrophobicContact CB-CG 4.1Å; L397-I424 HydrophobicContact CD1-CD1 4.43Å
398	P	91.8	Very high	92.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	21%	0.212	C	C	.	.			trans	-78.1	147.9	178.8	33.7	-32.6	0	0	0	111.1	L373 N375 D400 I401	L373-P398 HydrophobicContact CB-CG 4.23Å; N375-P398 WeakPolarHBondContact OD1-CA 3.36Å; N375-P398 WeakPolarHBondContact OD1-CB 3.31Å; P398-D400 PolarHBondContact O-N 2.9Å; P398-I401 WeakPolarHBondContact O-CB 3.34Å; P398-I401 PolarHBondContact O-N 3.38Å
399	D	88.8	Confident	92.3	Very high	100 Å²	100	43.4 Å²	43.4	54%	0.535	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-65.7	-28.3	-177.7	-60.2	-58	0	0	0	112.4	N375 I401 T423	N375-D399 PolarHBondContact ND2-OD2 2.61Å; N375-D399 VanDerWaalsContact ND2-OD2 3.14Å; N375-D399 PolarHBondContact OD1-N 3.09Å; D399-I401 PolarHBondContact O-N 3.42Å; D399-T423 VanDerWaalsContact O-CB 3.23Å; D399-T423 WeakPolarHBondContact O-CB 3.49Å; D399-T423 VanDerWaalsContact O-CG2 3.3Å; D399-T423 WeakPolarHBondContact O-CG2 3.18Å; D399-T423 PolarHBondContact O-OG1 3.05Å
400	D	90.1	Very high	92.3	Very high	30 Å²	30	43.3 Å²	43.3	16%	0.16	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-84.4	20.5	178.5	64.1	-64.6	0	0	0	114.2	N375 G376 C379 P398 N402 S403	N375-D400 WeakPolarHBondContact CA-OD1 3.24Å; N375-D400 WeakPolarHBondContact CB-OD1 3.24Å; G376-D400 WeakPolarHBondContact CA-OD2 3.04Å; G376-D400 VanDerWaalsContact N-CG 3.27Å; G376-D400 PolarHBondContact N-OD1 3.36Å; G376-D400 PolarHBondContact N-OD2 3.24Å; C379-D400 PolarHBondContact SG-OD2 2.86Å; P398-D400 PolarHBondContact O-N 2.9Å; D400-N402 WeakPolarHBondContact CA-OD1 3.1Å; D400-N402 PolarHBondContact O-N 3.2Å; D400-N402 VanDerWaalsContact O-N 3.16Å; D400-N402 PolarHBondContact O-OD1 3.15Å; D400-S403 VanDerWaalsContact O-CB 3.3Å; D400-S403 WeakPolarHBondContact O-CB 3.3Å; D400-S403 PolarHBondContact O-N 2.94Å; D400-S403 PolarHBondContact O-OG 3.11Å
401	I	92.6	Very high	92.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-58.3	-25.6	175.2	-163.2	65.6	0	0	0	112.8	L378 P398 D399 S403 L404 F410 P421 I424 L427	L378-I401 HydrophobicContact CD1-CD1 3.68Å; P398-I401 WeakPolarHBondContact O-CB 3.34Å; P398-I401 PolarHBondContact O-N 3.38Å; D399-I401 PolarHBondContact O-N 3.42Å; I401-S403 PolarHBondContact O-N 3.34Å; I401-S403 VanDerWaalsContact O-N 3.12Å; I401-L404 HydrophobicContact CD1-CD1 3.75Å; I401-L404 PolarHBondContact O-N 3.42Å; I401-F410 HydrophobicContact CD1-CE1 3.99Å; I401-F410 HydrophobicContact CD1-CZ 3.99Å; I401-F410 HydrophobicContact CG1-CE1 3.94Å; I401-F410 HydrophobicContact CG1-CZ 4.42Å; I401-P421 HydrophobicContact CG2-CG 4.04Å; I401-I424 HydrophobicContact CG2-CB 4.43Å; I401-L427 HydrophobicContact CG1-CD1 4.46Å
402	N	90.6	Very high	92.5	Very high	52 Å²	52	39.2 Å²	39.2	28%	0.278	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-61.2	-13.1	173.3	62.8	-13.5	0	0	0	114.6	D400 L404 Q426	D400-N402 WeakPolarHBondContact CA-OD1 3.1Å; D400-N402 PolarHBondContact O-N 3.2Å; D400-N402 VanDerWaalsContact O-N 3.16Å; D400-N402 PolarHBondContact O-OD1 3.15Å; N402-L404 PolarHBondContact O-N 2.91Å; N402-Q426 HydrophobicContact CB-CB 4.03Å; N402-Q426 PolarHBondContact ND2-OE1 3.45Å
403	S	91	Very high	92.5	Very high	26 Å²	26	39.4 Å²	39.4	18%	0.182	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-64.1	-20.2	172.7	60.4	0	0	0	0	113.6	D400 I401 I405	D400-S403 VanDerWaalsContact O-CB 3.3Å; D400-S403 WeakPolarHBondContact O-CB 3.3Å; D400-S403 PolarHBondContact O-N 2.94Å; D400-S403 PolarHBondContact O-OG 3.11Å; I401-S403 PolarHBondContact O-N 3.34Å; I401-S403 VanDerWaalsContact O-N 3.12Å; S403-I405 PolarHBondContact O-N 3.28Å
404	L	93.7	Very high	92.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.			trans	-83.1	55.6	178.8	-56.3	-179.4	0	0	0	112.2	L378 M381 L384 L387 I401 N402 S406 L407 L427	L378-L404 HydrophobicContact CB-CD2 4.29Å; L378-L404 HydrophobicContact CD1-CD1 4.13Å; M381-L404 HydrophobicContact CB-CD2 3.94Å; M381-L404 HydrophobicContact CE-CD2 4.29Å; L384-L404 HydrophobicContact CB-CD2 4.31Å; L384-L404 HydrophobicContact CD2-CD1 4.26Å; L384-L404 HydrophobicContact CD2-CD2 4.17Å; L387-L404 HydrophobicContact CD2-CD1 3.93Å; I401-L404 HydrophobicContact CD1-CD1 3.75Å; I401-L404 PolarHBondContact O-N 3.42Å; N402-L404 PolarHBondContact O-N 2.91Å; L404-S406 PolarHBondContact O-N 3.2Å; L404-L407 HydrophobicContact CB-CB 4.1Å; L404-L407 HydrophobicContact CB-CD2 4.44Å; L404-L407 HydrophobicContact CD1-CD2 4.12Å; L404-L407 VanDerWaalsContact O-CB 3.29Å; L404-L407 WeakPolarHBondContact O-CB 3.41Å; L404-L407 PolarHBondContact O-N 3.37Å; L404-L427 HydrophobicContact CB-CD2 4.28Å; L404-L427 WeakPolarHBondContact O-CD2 3.43Å
405	I	92.1	Very high	92.5	Very high	107 Å²	107	38.4 Å²	38.4	55%	0.549	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-21.1	-168.9	60.1	172.3	0	0	0	115.9	I382 S403	I382-I405 HydrophobicContact CB-CG1 4.44Å; I382-I405 WeakPolarHBondContact O-CG1 3.48Å; S403-I405 PolarHBondContact O-N 3.28Å
406	S	93.9	Very high	92.5	Very high	46 Å²	46	41.2 Å²	41.2	32%	0.322	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	7.7	179	-63.4	0	0	0	0	114.8	I382 L384 L404 E408	I382-S406 PolarHBondContact O-OG 2.83Å; L384-S406 CarbonylContact O-C 3.48Å; L404-S406 PolarHBondContact O-N 3.2Å; S406-E408 PolarHBondContact O-N 3.11Å
407	L	95.6	Very high	92.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.182	C	C	.	.			trans	-69.7	114.6	-173	-163.4	71.9	0	0	0	111.9	L384 L387 L404 F410 L427 E429 L430	L384-L407 HydrophobicContact CD2-CD1 4.12Å; L384-L407 HydrophobicContact CG-CD1 4.17Å; L384-L407 WeakPolarHBondContact O-CA 3.46Å; L384-L407 PolarHBondContact O-N 3.39Å; L384-L407 VanDerWaalsContact O-N 3.09Å; L387-L407 HydrophobicContact CB-CD1 3.81Å; L404-L407 HydrophobicContact CB-CB 4.1Å; L404-L407 HydrophobicContact CB-CD2 4.44Å; L404-L407 HydrophobicContact CD1-CD2 4.12Å; L404-L407 VanDerWaalsContact O-CB 3.29Å; L404-L407 WeakPolarHBondContact O-CB 3.41Å; L404-L407 PolarHBondContact O-N 3.37Å; L407-F410 HydrophobicContact CD2-CB 3.83Å; L407-F410 HydrophobicContact CD2-CD1 3.76Å; L407-F410 HydrophobicContact CD2-CE1 4.42Å; L407-F410 HydrophobicContact CD2-CG 3.81Å; L407-L427 HydrophobicContact CD2-CD1 4.1Å; L407-E429 CarbonylContact O-C 3.43Å; L407-L430 HydrophobicContact CD2-CD1 4.35Å; L407-L430 HydrophobicContact CG-CD1 4.26Å; L407-L430 WeakPolarHBondContact O-CA 3.37Å; L407-L430 PolarHBondContact O-N 2.63Å; L407-L430 VanDerWaalsContact O-N 3.13Å
408	E	93.5	Very high	92.5	Very high	57 Å²	57	37.7 Å²	37.7	27%	0.266	20%	0.196	S	C	.	.			trans	-96.5	-34	177.7	-58.4	-165.2	158.1	0	0	112.5	E385 S406 R431 T432	E385-E408 PolarHBondContact O-N 2.86Å; S406-E408 PolarHBondContact O-N 3.11Å; E408-R431 PolarHBondContact O-N 3.5Å; E408-R431 IonicContact OE1-CZ 2.64Å; E408-R431 IonicContact OE1-NH1 3.84Å; E408-R431 PolarHBondContact OE1-NH1 3.37Å; E408-R431 IonicContact OE1-NH2 3.44Å; E408-R431 PolarHBondContact OE1-NH2 2.88Å; E408-R431 IonicContact OE2-CZ 2.57Å; E408-R431 IonicContact OE2-NH1 3.08Å; E408-R431 PolarHBondContact OE2-NH1 2.76Å; E408-R431 IonicContact OE2-NH2 3.71Å; E408-T432 PolarHBondContact O-N 3.1Å
409	E	93.1	Very high	92.5	Very high	64 Å²	64	40.3 Å²	40.3	30%	0.299	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.3	-177.2	-64.1	-170.4	-179.4	0	0	112.1	E385 L386 L387 F411	E385-E409 PolarHBondContact O-N 3.35Å; L386-E409 WeakPolarHBondContact CA-O 3.41Å; L386-E409 HydrophobicContact CB-CB 4.39Å; L386-E409 HydrophobicContact CD1-CB 4.28Å; L386-E409 VanDerWaalsContact CD1-OE2 3.3Å; L386-E409 WeakPolarHBondContact CD1-OE2 3.34Å; L386-E409 HydrophobicContact CG-CB 3.96Å; L387-E409 PolarHBondContact N-O 3.2Å; E409-F411 HydrophobicContact CB-CE2 3.8Å; E409-F411 HydrophobicContact CB-CZ 4.2Å; E409-F411 WeakPolarHBondContact OE2-CE2 3.34Å; E409-F411 WeakPolarHBondContact OE2-CZ 3.3Å
410	F	95.6	Very high	92.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	112.8	179.4	-163.9	-179.2	0	0	0	111.3	L387 L389 L397 I401 L407 L412 I424 L430 T432 L433 D434	L387-F410 HydrophobicContact CB-CD2 4.08Å; L387-F410 HydrophobicContact CB-CE2 4.35Å; L387-F410 HydrophobicContact CD2-CD2 4.2Å; L387-F410 HydrophobicContact CD2-CE2 3.66Å; L387-F410 HydrophobicContact CD2-CZ 4.07Å; L387-F410 HydrophobicContact CG-CD2 4.11Å; L387-F410 HydrophobicContact CG-CE2 3.9Å; L387-F410 WeakPolarHBondContact O-CA 3.26Å; L389-F410 HydrophobicContact CD1-CE2 4.03Å; L397-F410 HydrophobicContact CD1-CE1 4.35Å; L397-F410 HydrophobicContact CD1-CZ 4.4Å; L397-F410 HydrophobicContact CD2-CZ 4.24Å; I401-F410 HydrophobicContact CD1-CE1 3.99Å; I401-F410 HydrophobicContact CD1-CZ 3.99Å; I401-F410 HydrophobicContact CG1-CE1 3.94Å; I401-F410 HydrophobicContact CG1-CZ 4.42Å; L407-F410 HydrophobicContact CD2-CB 3.83Å; L407-F410 HydrophobicContact CD2-CD1 3.76Å; L407-F410 HydrophobicContact CD2-CE1 4.42Å; L407-F410 HydrophobicContact CD2-CG 3.81Å; F410-L412 HydrophobicContact CD1-CD1 4.18Å; F410-L412 HydrophobicContact CD2-CD1 4.1Å; F410-L412 HydrophobicContact CD2-CD2 4.33Å; F410-L412 HydrophobicContact CD2-CG 3.82Å; F410-L412 HydrophobicContact CE1-CD1 3.83Å; F410-L412 HydrophobicContact CE1-CG 4.5Å; F410-L412 HydrophobicContact CE2-CD1 3.72Å; F410-L412 HydrophobicContact CE2-CD2 3.53Å; F410-L412 HydrophobicContact CE2-CG 3.47Å; F410-L412 VanDerWaalsContact CE2-CG 3.47Å; F410-L412 HydrophobicContact CG-CD1 4.32Å; F410-L412 HydrophobicContact CG-CG 4.47Å; F410-L412 HydrophobicContact CZ-CD1 3.59Å; F410-L412 HydrophobicContact CZ-CD2 3.87Å; F410-L412 HydrophobicContact CZ-CG 3.87Å; F410-I424 HydrophobicContact CD1-CD1 4.39Å; F410-I424 HydrophobicContact CE1-CD1 4.36Å; F410-L430 HydrophobicContact CB-CD1 3.84Å; F410-T432 PolarHBondContact N-O 3.16Å; F410-L433 HydrophobicContact CB-CD1 4.14Å; F410-L433 HydrophobicContact CD1-CD1 4.16Å; F410-L433 HydrophobicContact CG-CD1 4.31Å; F410-L433 WeakPolarHBondContact O-CA 3.42Å; F410-D434 PolarHBondContact O-N 3.44Å
411	F	94.7	Very high	92.8	Very high	49 Å²	49	35.5 Å²	35.5	22%	0.215	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.2	178.6	-53.8	-84.3	0	0	0	110.9	L386 L387 D388 L389 S390 E409 T432 D434	L386-F411 HydrophobicContact CD1-CE2 4.25Å; L386-F411 HydrophobicContact CD2-CD2 4.37Å; L386-F411 HydrophobicContact CD2-CE2 4.34Å; L386-F411 HydrophobicContact CG-CE2 4.17Å; L387-F411 PolarHBondContact O-N 3.4Å; D388-F411 HydrophobicContact CB-CB 4.36Å; D388-F411 HydrophobicContact CB-CD2 4.28Å; L389-F411 CarbonylContact C-O 3.12Å; L389-F411 WeakPolarHBondContact CA-O 3.48Å; L389-F411 PolarHBondContact N-O 3.32Å; S390-F411 PolarHBondContact N-O 2.92Å; E409-F411 HydrophobicContact CB-CE2 3.8Å; E409-F411 HydrophobicContact CB-CZ 4.2Å; E409-F411 WeakPolarHBondContact OE2-CE2 3.34Å; E409-F411 WeakPolarHBondContact OE2-CZ 3.3Å; F411-T432 HydrophobicContact CE1-CG2 3.84Å; F411-T432 HydrophobicContact CZ-CG2 4.1Å; F411-D434 HydrophobicContact CD1-CB 3.89Å
412	L	94.8	Very high	92.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.			trans	-132.2	11.7	-176.7	-72.9	167.5	0	0	0	112.1	L389 L397 F410 N415 L417 L433 D434 V435 N438	L389-L412 HydrophobicContact CB-CD2 3.92Å; L389-L412 HydrophobicContact CD1-CD2 4.32Å; L397-L412 HydrophobicContact CD1-CD1 3.71Å; L397-L412 HydrophobicContact CD2-CD1 4.14Å; L397-L412 HydrophobicContact CD2-CD2 3.77Å; L397-L412 HydrophobicContact CG-CD1 4.46Å; F410-L412 HydrophobicContact CD1-CD1 4.18Å; F410-L412 HydrophobicContact CD2-CD1 4.1Å; F410-L412 HydrophobicContact CD2-CD2 4.33Å; F410-L412 HydrophobicContact CD2-CG 3.82Å; F410-L412 HydrophobicContact CE1-CD1 3.83Å; F410-L412 HydrophobicContact CE1-CG 4.5Å; F410-L412 HydrophobicContact CE2-CD1 3.72Å; F410-L412 HydrophobicContact CE2-CD2 3.53Å; F410-L412 HydrophobicContact CE2-CG 3.47Å; F410-L412 VanDerWaalsContact CE2-CG 3.47Å; F410-L412 HydrophobicContact CG-CD1 4.32Å; F410-L412 HydrophobicContact CG-CG 4.47Å; F410-L412 HydrophobicContact CZ-CD1 3.59Å; F410-L412 HydrophobicContact CZ-CD2 3.87Å; F410-L412 HydrophobicContact CZ-CG 3.87Å; L412-N415 WeakPolarHBondContact O-CB 3.37Å; L412-N415 PolarHBondContact O-ND2 2.76Å; L412-L417 HydrophobicContact CB-CD1 4.1Å; L412-L417 HydrophobicContact CD1-CD1 3.97Å; L412-L417 HydrophobicContact CD2-CD1 4.33Å; L412-L417 HydrophobicContact CG-CD1 4.39Å; L412-L433 HydrophobicContact CD1-CD1 4.4Å; L412-D434 CarbonylContact C-O 3.56Å; L412-D434 VanDerWaalsContact CA-O 3.3Å; L412-D434 WeakPolarHBondContact CA-O 3.06Å; L412-D434 WeakPolarHBondContact CB-O 3.21Å; L412-D434 PolarHBondContact N-O 3.04Å; L412-V435 HydrophobicContact CB-CG1 4.15Å; L412-V435 HydrophobicContact CD1-CG1 3.99Å; L412-N438 PolarHBondContact O-ND2 3.17Å
413	S	91.6	Very high	92.7	Very high	13 Å²	13	38.2 Å²	38.2	9%	0.091	21%	0.205	C	C	.	.			trans	-63.9	152.9	-175.3	36.4	0	0	0	0	113.7	S390 R391 N415 D434 S436	S390-S413 CarbonylContact C-O 3.05Å; S390-S413 WeakPolarHBondContact CA-O 3.37Å; S390-S413 WeakPolarHBondContact CB-O 3.47Å; R391-S413 PolarHBondContact N-O 2.82Å; S413-N415 PolarHBondContact O-ND2 2.93Å; S413-D434 WeakPolarHBondContact CB-OD1 3.35Å; S413-D434 WeakPolarHBondContact CB-OD2 3.43Å; S413-D434 PolarHBondContact N-O 2.92Å; S413-D434 PolarHBondContact OG-OD2 3.49Å; S413-S436 CarbonylContact C-O 3.6Å; S413-S436 WeakPolarHBondContact CA-O 3.35Å; S413-S436 WeakPolarHBondContact CB-O 3.39Å; S413-S436 WeakPolarHBondContact CB-OG 3.36Å
414	E	91	Very high	92.8	Very high	66 Å²	66	37 Å²	37	31%	0.308	20%	0.197	S	C	.	.	S	Bend	trans	56.4	51.6	-178	-58	178.2	-126.8	0	0	112.5	R391 S436 Y437 H783	R391-E414 WeakPolarHBondContact CA-O 3.15Å; R391-E414 HydrophobicContact CG-CB 3.85Å; R391-E414 HydrophobicContact CG-CG 4.31Å; R391-E414 IonicContact CZ-OE1 3.73Å; R391-E414 VanDerWaalsContact CZ-OE1 3.23Å; R391-E414 IonicContact CZ-OE2 2.74Å; R391-E414 IonicContact NE-OE1 2.72Å; R391-E414 PolarHBondContact NE-OE1 2.98Å; R391-E414 IonicContact NE-OE2 2.74Å; R391-E414 PolarHBondContact NE-OE2 3.49Å; R391-E414 VanDerWaalsContact NE-OE2 3.09Å; R391-E414 IonicContact NH2-OE1 3.35Å; R391-E414 PolarHBondContact NH2-OE1 3.47Å; R391-E414 IonicContact NH2-OE2 3.38Å; E414-S436 PolarHBondContact N-O 3.34Å; E414-Y437 WeakPolarHBondContact CA-O 3.35Å; E414-Y437 HydrophobicContact CG-CD2 4.5Å; E414-H783 IonicContact OE1-ND1 3.06Å
415	N	92.7	Very high	92.6	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.064	20%	0.199	C	C	.	.	S	Bend	trans	-120.9	-162.9	175	-89	-76.8	0	0	0	111	L389 N392 K393 I394 L412 S413 L417 Y437 N438	L389-N415 PolarHBondContact O-ND2 2.96Å; N392-N415 VanDerWaalsContact CA-OD1 3.32Å; N392-N415 WeakPolarHBondContact CA-OD1 3.36Å; N392-N415 WeakPolarHBondContact CB-OD1 2.7Å; N392-N415 PolarHBondContact N-OD1 3.38Å; N392-N415 PolarHBondContact O-OD1 2.94Å; K393-N415 PolarHBondContact N-OD1 2.97Å; I394-N415 WeakPolarHBondContact CB-OD1 3.41Å; I394-N415 PolarHBondContact N-OD1 2.65Å; L412-N415 WeakPolarHBondContact O-CB 3.37Å; L412-N415 PolarHBondContact O-ND2 2.76Å; S413-N415 PolarHBondContact O-ND2 2.93Å; N415-L417 HydrophobicContact CB-CG 4.41Å; N415-Y437 PolarHBondContact N-O 3.12Å; N415-N438 WeakPolarHBondContact CA-OD1 3.47Å; N415-N438 WeakPolarHBondContact CB-OD1 3.23Å; N415-N438 PolarHBondContact O-OD1 3.06Å
416	K	92.2	Very high	92.5	Very high	107 Å²	107	37.4 Å²	37.4	47%	0.465	20%	0.197	S	C	.	.			trans	-121	24.6	179.9	-62.1	-173.3	175.6	-172.2	0	113	I394 T418 N438	I394-K416 CarbonylContact O-C 3.58Å; I394-K416 VanDerWaalsContact O-C 3.22Å; I394-K416 WeakPolarHBondContact O-CA 3.46Å; I394-K416 PolarHBondContact O-N 3.07Å; K416-T418 PolarHBondContact O-N 3.43Å; K416-N438 PolarHBondContact N-OD1 3.23Å
417	L	93.4	Very high	92.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.182	C	C	.	.			trans	-63.5	123.7	-175.8	-61.9	173.8	0	0	0	111.1	I394 S395 L397 L412 N415 L420 N438 Q439 L440	I394-L417 HydrophobicContact CG2-CD2 3.87Å; I394-L417 PolarHBondContact O-N 3.44Å; S395-L417 WeakPolarHBondContact O-CA 3.17Å; L397-L417 HydrophobicContact CD1-CD1 4.44Å; L397-L417 HydrophobicContact CD2-CD1 4.47Å; L397-L417 HydrophobicContact CD2-CD2 4.16Å; L397-L417 HydrophobicContact CG-CD1 4.29Å; L397-L417 HydrophobicContact CG-CD2 3.91Å; L412-L417 HydrophobicContact CB-CD1 4.1Å; L412-L417 HydrophobicContact CD1-CD1 3.97Å; L412-L417 HydrophobicContact CD2-CD1 4.33Å; L412-L417 HydrophobicContact CG-CD1 4.39Å; N415-L417 HydrophobicContact CB-CG 4.41Å; L417-L420 HydrophobicContact CD1-CD2 4.03Å; L417-N438 HydrophobicContact CB-CB 4.12Å; L417-N438 VanDerWaalsContact CB-OD1 3.31Å; L417-N438 WeakPolarHBondContact CB-OD1 3.45Å; L417-N438 WeakPolarHBondContact CG-OD1 3.44Å; L417-N438 PolarHBondContact N-OD1 3.1Å; L417-Q439 CarbonylContact O-C 3.45Å; L417-Q439 VanDerWaalsContact O-CA 3.24Å; L417-Q439 WeakPolarHBondContact O-CA 3.39Å; L417-Q439 PolarHBondContact O-N 3.36Å; L417-L440 HydrophobicContact CB-CD2 4.04Å; L417-L440 PolarHBondContact O-N 3.47Å
418	T	90.2	Very high	92.2	Very high	61 Å²	61	42.5 Å²	42.5	37%	0.374	21%	0.213	S	C	.	.	S	Bend	trans	-93.1	-25.1	176.4	52.9	0	0	0	0	113.3	S395 K416 Q439	S395-T418 PolarHBondContact O-N 3.17Å; K416-T418 PolarHBondContact O-N 3.43Å; T418-Q439 HydrophobicContact CG2-CB 4.22Å
419	S	91.7	Very high	92.1	Very high	56 Å²	56	43.7 Å²	43.7	39%	0.392	22%	0.219	S	C	.	.			trans	-148.7	168.5	173.9	57.5	0	0	0	0	110.3	L440	S419-L440 VanDerWaalsContact C-CD2 3.5Å
420	L	92.7	Very high	92.1	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.058	21%	0.205	C	C	.	.			trans	-115.6	139.4	168.4	-57.6	173.4	0	0	0	108.3	L397 L417 I424 V435 L440 P444	L397-L420 HydrophobicContact CD1-CD2 3.87Å; L417-L420 HydrophobicContact CD1-CD2 4.03Å; L420-I424 HydrophobicContact CB-CG2 4.42Å; L420-V435 HydrophobicContact CD1-CG1 4.2Å; L420-V435 HydrophobicContact CD2-CG1 4.07Å; L420-L440 HydrophobicContact CD1-CD1 4.06Å; L420-L440 HydrophobicContact CD2-CD1 4.41Å; L420-L440 HydrophobicContact CD2-CD2 4.2Å; L420-L440 HydrophobicContact CG-CD1 4.07Å; L420-L440 HydrophobicContact CG-CD2 3.95Å; L420-P444 HydrophobicContact CB-CG 4.36Å
421	P	92.7	Very high	91.8	Very high	18 Å²	18	45.2 Å²	45.2	12%	0.117	22%	0.222	C	C	.	.			trans	-71.9	140.5	178.1	30.7	-34.8	0	0	0	110.3	L397 I401 T423 I424	L397-P421 HydrophobicContact CB-CG 4.1Å; I401-P421 HydrophobicContact CG2-CG 4.04Å; P421-T423 PolarHBondContact O-N 2.99Å; P421-I424 WeakPolarHBondContact O-CB 3.43Å; P421-I424 WeakPolarHBondContact O-CG2 3.45Å; P421-I424 PolarHBondContact O-N 3.22Å
422	N	89.2	Confident	91.5	Very high	80 Å²	80	43 Å²	43	43%	0.428	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-57.5	-21.7	179.6	-71.9	12.4	0	0	0	113.2	I424 C425 P444	N422-I424 PolarHBondContact O-N 2.8Å; N422-C425 VanDerWaalsContact O-CB 3.26Å; N422-C425 WeakPolarHBondContact O-CB 3.2Å; N422-C425 PolarHBondContact O-N 3.02Å; N422-C425 PolarHBondContact O-SG 3.22Å; N422-P444 WeakPolarHBondContact OD1-CB 3.13Å
423	T	91.4	Very high	91.4	Very high	29 Å²	29	43 Å²	43	18%	0.178	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-63.7	-18.8	174	49.1	0	0	0	0	113.6	D399 P421 C425 Q426	D399-T423 VanDerWaalsContact O-CB 3.23Å; D399-T423 WeakPolarHBondContact O-CB 3.49Å; D399-T423 VanDerWaalsContact O-CG2 3.3Å; D399-T423 WeakPolarHBondContact O-CG2 3.18Å; D399-T423 PolarHBondContact O-OG1 3.05Å; P421-T423 PolarHBondContact O-N 2.99Å; T423-C425 PolarHBondContact O-N 3.48Å; T423-Q426 WeakPolarHBondContact O-CB 3.42Å; T423-Q426 PolarHBondContact O-N 3.31Å; T423-Q426 VanDerWaalsContact O-N 3.1Å
424	I	92.9	Very high	91.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-60.4	-30	170.4	-154.7	172.8	0	0	0	112	L397 I401 F410 L420 P421 N422 Q426 L427 L433 P444	L397-I424 HydrophobicContact CD1-CD1 4.43Å; I401-I424 HydrophobicContact CG2-CB 4.43Å; F410-I424 HydrophobicContact CD1-CD1 4.39Å; F410-I424 HydrophobicContact CE1-CD1 4.36Å; L420-I424 HydrophobicContact CB-CG2 4.42Å; P421-I424 WeakPolarHBondContact O-CB 3.43Å; P421-I424 WeakPolarHBondContact O-CG2 3.45Å; P421-I424 PolarHBondContact O-N 3.22Å; N422-I424 PolarHBondContact O-N 2.8Å; I424-Q426 PolarHBondContact O-N 3.49Å; I424-L427 HydrophobicContact CG1-CD1 4.02Å; I424-L427 WeakPolarHBondContact O-CB 2.99Å; I424-L427 WeakPolarHBondContact O-CG 3.47Å; I424-L427 PolarHBondContact O-N 3.2Å; I424-L433 HydrophobicContact CD1-CD1 4Å; I424-L433 HydrophobicContact CD1-CD2 3.92Å; I424-P444 HydrophobicContact CG2-CG 4.06Å
425	C	89.4	Confident	91.3	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.041	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-70.6	-9.1	178.9	-51.7	0	0	0	0	113	N422 T423 D446 L447 L450	N422-C425 VanDerWaalsContact O-CB 3.26Å; N422-C425 WeakPolarHBondContact O-CB 3.2Å; N422-C425 PolarHBondContact O-N 3.02Å; N422-C425 PolarHBondContact O-SG 3.22Å; T423-C425 PolarHBondContact O-N 3.48Å; C425-D446 HydrophobicContact CB-CB 3.68Å; C425-D446 VanDerWaalsContact SG-C 3.52Å; C425-L447 PolarHBondContact SG-N 2.84Å; C425-L450 WeakPolarHBondContact O-CD2 3.39Å
426	Q	90.6	Very high	90.9	Very high	109 Å²	109	40.2 Å²	40.2	51%	0.509	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-88.1	-9.4	176.7	-56.2	-179.6	2.7	0	0	112.8	N402 T423 I424 K428	N402-Q426 HydrophobicContact CB-CB 4.03Å; N402-Q426 PolarHBondContact ND2-OE1 3.45Å; T423-Q426 WeakPolarHBondContact O-CB 3.42Å; T423-Q426 PolarHBondContact O-N 3.31Å; T423-Q426 VanDerWaalsContact O-N 3.1Å; I424-Q426 PolarHBondContact O-N 3.49Å; Q426-K428 VanDerWaalsContact C-N 3.26Å; Q426-K428 PolarHBondContact O-N 2.66Å
427	L	92.9	Very high	90.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.188	C	C	.	.			trans	-76.9	71	178	-60.2	178.7	0	0	0	111.2	I401 L404 L407 I424 E429 L430 L450	I401-L427 HydrophobicContact CG1-CD1 4.46Å; L404-L427 HydrophobicContact CB-CD2 4.28Å; L404-L427 WeakPolarHBondContact O-CD2 3.43Å; L407-L427 HydrophobicContact CD2-CD1 4.1Å; I424-L427 HydrophobicContact CG1-CD1 4.02Å; I424-L427 WeakPolarHBondContact O-CB 2.99Å; I424-L427 WeakPolarHBondContact O-CG 3.47Å; I424-L427 PolarHBondContact O-N 3.2Å; L427-E429 VanDerWaalsContact C-N 3.25Å; L427-E429 PolarHBondContact O-N 2.83Å; L427-L430 HydrophobicContact CB-CB 4.14Å; L427-L430 HydrophobicContact CB-CD2 4.3Å; L427-L430 HydrophobicContact CD1-CD2 4.32Å; L427-L430 WeakPolarHBondContact O-CB 3.48Å; L427-L430 PolarHBondContact O-N 2.86Å; L427-L450 WeakPolarHBondContact O-CD2 3.44Å
428	K	89.3	Confident	90.2	Very high	153 Å²	153	38.1 Å²	38.1	67%	0.665	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.5	-170.2	-68.1	177.3	-177	176.9	0	114.5	Q426 L430 N452	Q426-K428 VanDerWaalsContact C-N 3.26Å; Q426-K428 PolarHBondContact O-N 2.66Å; K428-L430 VanDerWaalsContact C-N 3.27Å; K428-L430 PolarHBondContact O-N 2.84Å; K428-N452 PolarHBondContact O-ND2 2.92Å
429	E	91.9	Very high	90.1	Very high	83 Å²	83	40.4 Å²	40.4	39%	0.388	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-7.2	178.3	-61.7	-49.2	132.8	0	0	114.2	L407 L427 R431	L407-E429 CarbonylContact O-C 3.43Å; L427-E429 VanDerWaalsContact C-N 3.25Å; L427-E429 PolarHBondContact O-N 2.83Å; E429-R431 PolarHBondContact O-N 3.03Å
430	L	92.3	Very high	89.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.177	C	C	.	.			trans	-62.7	124.3	-176.4	-162.1	61.3	0	0	0	110.7	L407 F410 L427 K428 T432 L433 L450 N452 I453	L407-L430 HydrophobicContact CD2-CD1 4.35Å; L407-L430 HydrophobicContact CG-CD1 4.26Å; L407-L430 WeakPolarHBondContact O-CA 3.37Å; L407-L430 PolarHBondContact O-N 2.63Å; L407-L430 VanDerWaalsContact O-N 3.13Å; F410-L430 HydrophobicContact CB-CD1 3.84Å; L427-L430 HydrophobicContact CB-CB 4.14Å; L427-L430 HydrophobicContact CB-CD2 4.3Å; L427-L430 HydrophobicContact CD1-CD2 4.32Å; L427-L430 WeakPolarHBondContact O-CB 3.48Å; L427-L430 PolarHBondContact O-N 2.86Å; K428-L430 VanDerWaalsContact C-N 3.27Å; K428-L430 PolarHBondContact O-N 2.84Å; L430-T432 WeakPolarHBondContact CD1-O 3.43Å; L430-L433 HydrophobicContact CD2-CB 4.19Å; L430-L433 HydrophobicContact CD2-CD1 4.5Å; L430-L433 HydrophobicContact CD2-CD2 4.42Å; L430-L450 HydrophobicContact CD2-CD1 4.47Å; L430-N452 CarbonylContact O-C 3.52Å; L430-N452 WeakPolarHBondContact O-CB 3.25Å; L430-I453 HydrophobicContact CB-CD1 4.25Å; L430-I453 HydrophobicContact CB-CG1 4.3Å; L430-I453 HydrophobicContact CD2-CD1 3.92Å; L430-I453 HydrophobicContact CG-CD1 3.89Å; L430-I453 HydrophobicContact CG-CG1 4.31Å; L430-I453 WeakPolarHBondContact O-CG1 3.42Å; L430-I453 PolarHBondContact O-N 2.92Å; L430-I453 VanDerWaalsContact O-N 3.13Å
431	R	89.4	Confident	89.3	Confident	95 Å²	95	39.5 Å²	39.5	36%	0.358	19%	0.19	S	C	.	.			trans	-112.3	-29.3	177.2	-64.4	176	-166.9	139.4	19.2	111.5	E408 E429 N452 S456 G466	E408-R431 PolarHBondContact O-N 3.5Å; E408-R431 IonicContact OE1-CZ 2.64Å; E408-R431 IonicContact OE1-NH1 3.84Å; E408-R431 PolarHBondContact OE1-NH1 3.37Å; E408-R431 IonicContact OE1-NH2 3.44Å; E408-R431 PolarHBondContact OE1-NH2 2.88Å; E408-R431 IonicContact OE2-CZ 2.57Å; E408-R431 IonicContact OE2-NH1 3.08Å; E408-R431 PolarHBondContact OE2-NH1 2.76Å; E408-R431 IonicContact OE2-NH2 3.71Å; E429-R431 PolarHBondContact O-N 3.03Å; R431-N452 HydrophobicContact CG-CB 4.21Å; R431-S456 PolarHBondContact O-OG 3.24Å; R431-G466 WeakPolarHBondContact O-CA 3.25Å; R431-G466 PolarHBondContact O-N 3.05Å
432	T	89	Confident	88.9	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.1	179.6	-52.1	0	0	0	0	110	E408 F410 F411 L430 K464 S465 G466	E408-T432 PolarHBondContact O-N 3.1Å; F410-T432 PolarHBondContact N-O 3.16Å; F411-T432 HydrophobicContact CE1-CG2 3.84Å; F411-T432 HydrophobicContact CZ-CG2 4.1Å; L430-T432 WeakPolarHBondContact CD1-O 3.43Å; T432-K464 WeakPolarHBondContact CG2-O 3.48Å; T432-S465 WeakPolarHBondContact OG1-CA 3.42Å; T432-G466 WeakPolarHBondContact CA-O 3.17Å
433	L	92.4	Very high	88.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	104.9	171.7	178.3	57.8	0	0	0	108.7	F410 L412 I424 L430 V435 I453 G466 L467 W468	F410-L433 HydrophobicContact CB-CD1 4.14Å; F410-L433 HydrophobicContact CD1-CD1 4.16Å; F410-L433 HydrophobicContact CG-CD1 4.31Å; F410-L433 WeakPolarHBondContact O-CA 3.42Å; L412-L433 HydrophobicContact CD1-CD1 4.4Å; I424-L433 HydrophobicContact CD1-CD1 4Å; I424-L433 HydrophobicContact CD1-CD2 3.92Å; L430-L433 HydrophobicContact CD2-CB 4.19Å; L430-L433 HydrophobicContact CD2-CD1 4.5Å; L430-L433 HydrophobicContact CD2-CD2 4.42Å; L433-V435 HydrophobicContact CD1-CG1 3.81Å; L433-V435 HydrophobicContact CG-CG1 4.05Å; L433-I453 HydrophobicContact CB-CD1 3.88Å; L433-G466 PolarHBondContact N-O 3.29Å; L433-L467 HydrophobicContact CB-CD1 4Å; L433-L467 HydrophobicContact CD2-CD1 3.88Å; L433-L467 HydrophobicContact CG-CD1 3.97Å; L433-L467 WeakPolarHBondContact O-CA 3.41Å; L433-W468 PolarHBondContact O-N 2.98Å
434	D	90.4	Very high	88.4	Confident	22 Å²	22	38.7 Å²	38.7	12%	0.118	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	102.6	175.9	179.9	14.7	0	0	0	110.9	F410 F411 L412 S413 S436 W468	F410-D434 PolarHBondContact O-N 3.44Å; F411-D434 HydrophobicContact CD1-CB 3.89Å; L412-D434 CarbonylContact C-O 3.56Å; L412-D434 VanDerWaalsContact CA-O 3.3Å; L412-D434 WeakPolarHBondContact CA-O 3.06Å; L412-D434 WeakPolarHBondContact CB-O 3.21Å; L412-D434 PolarHBondContact N-O 3.04Å; S413-D434 WeakPolarHBondContact CB-OD1 3.35Å; S413-D434 WeakPolarHBondContact CB-OD2 3.43Å; S413-D434 PolarHBondContact N-O 2.92Å; S413-D434 PolarHBondContact OG-OD2 3.49Å; D434-S436 VanDerWaalsContact OD1-CB 3.25Å; D434-S436 WeakPolarHBondContact OD1-CB 3.19Å; D434-S436 PolarHBondContact OD1-N 2.85Å; D434-S436 PolarHBondContact OD1-OG 3.13Å; D434-W468 HydrophobicContact CB-CB 4.21Å; D434-W468 HydrophobicContact CB-CG 4.33Å; D434-W468 WeakPolarHBondContact OD1-CB 3.17Å
435	V	91.2	Very high	87.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.217	C	C	.	.			trans	-111.9	21.9	174.7	-64.5	0	0	0	0	111.3	L412 L420 L433 N438 L440 W468 L469 N472	L412-V435 HydrophobicContact CB-CG1 4.15Å; L412-V435 HydrophobicContact CD1-CG1 3.99Å; L420-V435 HydrophobicContact CD1-CG1 4.2Å; L420-V435 HydrophobicContact CD2-CG1 4.07Å; L433-V435 HydrophobicContact CD1-CG1 3.81Å; L433-V435 HydrophobicContact CG-CG1 4.05Å; V435-N438 PolarHBondContact O-ND2 3.44Å; V435-L440 HydrophobicContact CB-CD1 3.97Å; V435-L440 HydrophobicContact CG2-CD1 3.72Å; V435-W468 CarbonylContact C-O 3.52Å; V435-W468 WeakPolarHBondContact CG2-O 3.49Å; V435-W468 PolarHBondContact N-O 3.2Å; V435-L469 HydrophobicContact CG2-CD2 3.65Å; V435-N472 PolarHBondContact O-ND2 3Å
436	S	83.6	Confident	87.5	Confident	12 Å²	12	48.8 Å²	48.8	8%	0.084	23%	0.23	C	C	.	.			trans	-63.9	149	-178.3	62.3	0	0	0	0	112.9	S413 E414 D434 N438 W468 Q470	S413-S436 CarbonylContact C-O 3.6Å; S413-S436 WeakPolarHBondContact CA-O 3.35Å; S413-S436 WeakPolarHBondContact CB-O 3.39Å; S413-S436 WeakPolarHBondContact CB-OG 3.36Å; E414-S436 PolarHBondContact N-O 3.34Å; D434-S436 VanDerWaalsContact OD1-CB 3.25Å; D434-S436 WeakPolarHBondContact OD1-CB 3.19Å; D434-S436 PolarHBondContact OD1-N 2.85Å; D434-S436 PolarHBondContact OD1-OG 3.13Å; S436-N438 PolarHBondContact O-ND2 3.3Å; S436-W468 PolarHBondContact N-O 3.44Å; S436-Q470 CarbonylContact C-O 3.53Å; S436-Q470 WeakPolarHBondContact CA-O 3.33Å; S436-Q470 WeakPolarHBondContact CB-O 3.28Å
437	Y	84.5	Confident	87.2	Confident	56 Å²	56	43.6 Å²	43.6	22%	0.22	21%	0.206	C	C	.	.	S	Bend	trans	56.1	50.7	-178.1	-52.8	-84.3	0	0	0	113	E414 N415 Q470	E414-Y437 WeakPolarHBondContact CA-O 3.35Å; E414-Y437 HydrophobicContact CG-CD2 4.5Å; N415-Y437 PolarHBondContact N-O 3.12Å; Y437-Q470 PolarHBondContact N-O 3.24Å; Y437-Q470 PolarHBondContact OH-NE2 3.22Å
438	N	87.5	Confident	86.6	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.037	21%	0.213	C	C	.	.	S	Bend	trans	-116.4	-166.2	169.3	-82.8	-80.3	0	0	0	110.1	L412 N415 K416 L417 V435 S436 L440 N472	L412-N438 PolarHBondContact O-ND2 3.17Å; N415-N438 WeakPolarHBondContact CA-OD1 3.47Å; N415-N438 WeakPolarHBondContact CB-OD1 3.23Å; N415-N438 PolarHBondContact O-OD1 3.06Å; K416-N438 PolarHBondContact N-OD1 3.23Å; L417-N438 HydrophobicContact CB-CB 4.12Å; L417-N438 VanDerWaalsContact CB-OD1 3.31Å; L417-N438 WeakPolarHBondContact CB-OD1 3.45Å; L417-N438 WeakPolarHBondContact CG-OD1 3.44Å; L417-N438 PolarHBondContact N-OD1 3.1Å; V435-N438 PolarHBondContact O-ND2 3.44Å; S436-N438 PolarHBondContact O-ND2 3.3Å; N438-L440 HydrophobicContact CB-CG 4.29Å; N438-N472 WeakPolarHBondContact CA-OD1 3.48Å; N438-N472 WeakPolarHBondContact CB-OD1 3.35Å; N438-N472 PolarHBondContact N-OD1 3.39Å; N438-N472 PolarHBondContact O-OD1 3.29Å
439	Q	88.1	Confident	86.3	Confident	109 Å²	109	42 Å²	42	51%	0.509	20%	0.201	S	C	.	.			trans	-116	26.2	-177.3	-59.8	-174.9	-12.3	0	0	112.3	L417 T418 S441 N472	L417-Q439 CarbonylContact O-C 3.45Å; L417-Q439 VanDerWaalsContact O-CA 3.24Å; L417-Q439 WeakPolarHBondContact O-CA 3.39Å; L417-Q439 PolarHBondContact O-N 3.36Å; T418-Q439 HydrophobicContact CG2-CB 4.22Å; Q439-S441 PolarHBondContact O-N 3.02Å; Q439-N472 PolarHBondContact N-OD1 2.95Å
440	L	86.3	Confident	86.1	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.			trans	-66.1	120.2	-177.1	-56.9	175.5	0	0	0	111.5	L417 S419 L420 V435 N438 L443 N472 P473 L474	L417-L440 HydrophobicContact CB-CD2 4.04Å; L417-L440 PolarHBondContact O-N 3.47Å; S419-L440 VanDerWaalsContact C-CD2 3.5Å; L420-L440 HydrophobicContact CD1-CD1 4.06Å; L420-L440 HydrophobicContact CD2-CD1 4.41Å; L420-L440 HydrophobicContact CD2-CD2 4.2Å; L420-L440 HydrophobicContact CG-CD1 4.07Å; L420-L440 HydrophobicContact CG-CD2 3.95Å; V435-L440 HydrophobicContact CB-CD1 3.97Å; V435-L440 HydrophobicContact CG2-CD1 3.72Å; N438-L440 HydrophobicContact CB-CG 4.29Å; L440-L443 HydrophobicContact CD1-CD2 4.34Å; L440-N472 HydrophobicContact CB-CB 4.11Å; L440-N472 VanDerWaalsContact CB-OD1 3.31Å; L440-N472 WeakPolarHBondContact CB-OD1 3.46Å; L440-N472 VanDerWaalsContact CG-OD1 3.29Å; L440-N472 WeakPolarHBondContact CG-OD1 3.49Å; L440-N472 PolarHBondContact N-OD1 3.07Å; L440-P473 CarbonylContact O-C 3.34Å; L440-P473 WeakPolarHBondContact O-CD 3.32Å; L440-L474 HydrophobicContact CB-CD2 4.18Å; L440-L474 WeakPolarHBondContact O-CD2 3.32Å; L440-L474 PolarHBondContact O-N 2.91Å
441	S	81.4	Confident	85.5	Confident	47 Å²	47	44.9 Å²	44.9	33%	0.329	21%	0.213	S	C	.	.	S	Bend	trans	-88.4	-27.8	172.5	54	0	0	0	0	113.3	Q439 L474 T475	Q439-S441 PolarHBondContact O-N 3.02Å; S441-L474 WeakPolarHBondContact O-CA 3.31Å; S441-T475 PolarHBondContact O-N 3.44Å; S441-T475 PolarHBondContact O-OG1 3.25Å
442	E	82.8	Confident	85.2	Confident	87 Å²	87	42.8 Å²	42.8	41%	0.407	21%	0.208	S	C	.	.			trans	-143.8	164	-179.7	59.3	-164.9	-169.2	0	0	110.6	K851	E442-K851 IonicContact OE2-NZ 3.23Å; E442-K851 PolarHBondContact OE2-NZ 3.04Å
443	L	84.7	Confident	84.9	Confident	17 Å²	17	42.7 Å²	42.7	9%	0.089	21%	0.208	C	C	.	.			trans	-110.1	151	173.8	-61.9	-176.9	0	0	0	108.9	L440 L447 L469 L474 I477	L440-L443 HydrophobicContact CD1-CD2 4.34Å; L443-L447 HydrophobicContact CB-CD2 4.2Å; L443-L447 HydrophobicContact CD1-CD2 3.8Å; L443-L447 HydrophobicContact CG-CD2 4.45Å; L443-L469 HydrophobicContact CD1-CD1 3.82Å; L443-L469 HydrophobicContact CD1-CD2 4.2Å; L443-L469 HydrophobicContact CD2-CD2 3.9Å; L443-L474 HydrophobicContact CD2-CD2 4.01Å; L443-L474 HydrophobicContact CG-CD2 4.05Å; L443-I477 HydrophobicContact CB-CD1 4.44Å; L443-I477 HydrophobicContact CD1-CD1 3.56Å; L443-I477 HydrophobicContact CG-CD1 4.01Å
444	P	86.8	Confident	84	Confident	6 Å²	6	45.5 Å²	45.5	4%	0.039	22%	0.221	C	C	.	.			trans	-62.3	139.1	178.4	25.4	-33.1	0	0	0	110.6	L420 N422 I424 D446 L447	L420-P444 HydrophobicContact CB-CG 4.36Å; N422-P444 WeakPolarHBondContact OD1-CB 3.13Å; I424-P444 HydrophobicContact CG2-CG 4.06Å; P444-D446 VanDerWaalsContact C-N 3.28Å; P444-D446 PolarHBondContact O-N 3.31Å; P444-L447 HydrophobicContact CG-CB 4.26Å; P444-L447 HydrophobicContact CG-CD1 4.09Å; P444-L447 VanDerWaalsContact O-CB 3.28Å; P444-L447 WeakPolarHBondContact O-CB 3.33Å; P444-L447 PolarHBondContact O-N 3.44Å
445	E	76.7	Confident	82.8	Confident	160 Å²	160	49.3 Å²	49.3	75%	0.748	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-56.7	-43	-172.3	-62.8	-179.2	160.7	0	0	111.6	L447 Y448	E445-L447 PolarHBondContact O-N 2.77Å; E445-L447 VanDerWaalsContact O-N 3.12Å; E445-Y448 VanDerWaalsContact O-CD1 3.29Å; E445-Y448 WeakPolarHBondContact O-CD1 3.5Å
446	D	84.9	Confident	81.4	Confident	58 Å²	58	50 Å²	50	31%	0.31	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-71.9	3.3	-179.9	-66.1	-43.8	0	0	0	115.2	C425 P444 Y448 L449	C425-D446 HydrophobicContact CB-CB 3.68Å; C425-D446 VanDerWaalsContact SG-C 3.52Å; P444-D446 VanDerWaalsContact C-N 3.28Å; P444-D446 PolarHBondContact O-N 3.31Å; D446-Y448 PolarHBondContact O-N 3.4Å; D446-L449 HydrophobicContact CB-CD1 3.95Å; D446-L449 HydrophobicContact CB-CG 4.45Å; D446-L449 WeakPolarHBondContact O-CB 3.45Å; D446-L449 WeakPolarHBondContact O-CG 3.2Å; D446-L449 PolarHBondContact O-N 3.09Å
447	L	85.7	Confident	80	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-58.7	-28.8	-173.2	-165.9	73	0	0	0	112.3	C425 L443 P444 E445 L449 L450 L467 W491 L494	C425-L447 PolarHBondContact SG-N 2.84Å; L443-L447 HydrophobicContact CB-CD2 4.2Å; L443-L447 HydrophobicContact CD1-CD2 3.8Å; L443-L447 HydrophobicContact CG-CD2 4.45Å; P444-L447 HydrophobicContact CG-CB 4.26Å; P444-L447 HydrophobicContact CG-CD1 4.09Å; P444-L447 VanDerWaalsContact O-CB 3.28Å; P444-L447 WeakPolarHBondContact O-CB 3.33Å; P444-L447 PolarHBondContact O-N 3.44Å; E445-L447 PolarHBondContact O-N 2.77Å; E445-L447 VanDerWaalsContact O-N 3.12Å; L447-L449 PolarHBondContact O-N 3.28Å; L447-L449 VanDerWaalsContact O-N 3.1Å; L447-L450 HydrophobicContact CD1-CD1 3.74Å; L447-L450 PolarHBondContact O-N 3.31Å; L447-L467 HydrophobicContact CD2-CD2 3.9Å; L447-W491 HydrophobicContact CD2-CZ3 4.33Å; L447-W491 HydrophobicContact CG-CH2 4.36Å; L447-W491 HydrophobicContact CG-CZ3 4.05Å; L447-W491 WeakPolarHBondContact O-CZ3 3.13Å; L447-L494 HydrophobicContact CB-CD1 4.38Å; L447-L494 HydrophobicContact CD2-CD1 4.26Å
448	Y	79.9	Confident	78	Confident	39 Å²	39	55 Å²	55	15%	0.153	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-61.5	-13.7	176.2	76.6	-92.9	0	0	0	114	E445 D446 L450 Q454 E498	E445-Y448 VanDerWaalsContact O-CD1 3.29Å; E445-Y448 WeakPolarHBondContact O-CD1 3.5Å; D446-Y448 PolarHBondContact O-N 3.4Å; Y448-L450 VanDerWaalsContact C-N 3.26Å; Y448-L450 PolarHBondContact O-N 3.02Å; Y448-Q454 PolarHBondContact O-NE2 3.16Å; Y448-E498 VanDerWaalsContact CZ-OE2 3.31Å; Y448-E498 PolarHBondContact OH-OE1 3.09Å; Y448-E498 PolarHBondContact OH-OE2 3.03Å; Y448-E498 VanDerWaalsContact OH-OE2 3.07Å
449	L	84	Confident	75.9	Confident	80 Å²	80	63 Å²	63	42%	0.419	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-71.9	-17.1	175.5	-63.2	178.5	0	0	0	113.4	D446 L447 K451	D446-L449 HydrophobicContact CB-CD1 3.95Å; D446-L449 HydrophobicContact CB-CG 4.45Å; D446-L449 WeakPolarHBondContact O-CB 3.45Å; D446-L449 WeakPolarHBondContact O-CG 3.2Å; D446-L449 PolarHBondContact O-N 3.09Å; L447-L449 PolarHBondContact O-N 3.28Å; L447-L449 VanDerWaalsContact O-N 3.1Å; L449-K451 VanDerWaalsContact C-N 3.26Å; L449-K451 PolarHBondContact O-N 2.89Å
450	L	85.7	Confident	73.4	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.319	C	S	.	.			trans	-79.5	64.6	-176.6	-62.6	178.9	0	0	0	112.9	C425 L427 L430 L447 Y448 N452 I453 Q454	C425-L450 WeakPolarHBondContact O-CD2 3.39Å; L427-L450 WeakPolarHBondContact O-CD2 3.44Å; L430-L450 HydrophobicContact CD2-CD1 4.47Å; L447-L450 HydrophobicContact CD1-CD1 3.74Å; L447-L450 PolarHBondContact O-N 3.31Å; Y448-L450 VanDerWaalsContact C-N 3.26Å; Y448-L450 PolarHBondContact O-N 3.02Å; L450-N452 PolarHBondContact O-N 3.27Å; L450-N452 VanDerWaalsContact O-N 3.14Å; L450-I453 HydrophobicContact CB-CB 4.46Å; L450-I453 HydrophobicContact CB-CD1 3.99Å; L450-I453 HydrophobicContact CB-CG1 4.05Å; L450-I453 HydrophobicContact CD1-CD1 3.66Å; L450-I453 HydrophobicContact CG-CD1 4.42Å; L450-I453 PolarHBondContact O-N 2.74Å; L450-Q454 PolarHBondContact O-N 3.49Å
451	K	81.5	Confident	71.3	Confident	144 Å²	144	68.2 Å²	68.2	63%	0.626	34%	0.343	S	S	*	.	H	α-helix	trans	-57	-27.6	-176.8	-63.1	-175.9	-178.8	-174	0	114.7	L449 Q454 T455	L449-K451 VanDerWaalsContact C-N 3.26Å; L449-K451 PolarHBondContact O-N 2.89Å; K451-Q454 WeakPolarHBondContact O-CB 3.39Å; K451-Q454 PolarHBondContact O-N 3.47Å; K451-T455 PolarHBondContact O-N 2.87Å; K451-T455 VanDerWaalsContact O-N 3.12Å; K451-T455 PolarHBondContact O-OG1 2.94Å
452	N	82.3	Confident	68.9	Low	51 Å²	51	72.8 Å²	72.8	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-71.2	-37.8	176.1	-81.2	-20.4	0	0	0	111.8	K428 L430 R431 L450 T455 S456	K428-N452 PolarHBondContact O-ND2 2.92Å; L430-N452 CarbonylContact O-C 3.52Å; L430-N452 WeakPolarHBondContact O-CB 3.25Å; R431-N452 HydrophobicContact CG-CB 4.21Å; L450-N452 PolarHBondContact O-N 3.27Å; L450-N452 VanDerWaalsContact O-N 3.14Å; N452-T455 PolarHBondContact O-OG1 3.16Å; N452-S456 WeakPolarHBondContact O-CB 3.38Å; N452-S456 PolarHBondContact O-N 2.73Å; N452-S456 PolarHBondContact O-OG 3.4Å
453	I	82.5	Confident	66.7	Low	0 Å²	0	74.6 Å²	74.6	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-65.5	-43.9	171.6	-50.3	-175.2	0	0	0	110.2	L430 L433 L450 T455 S456 H457 L467 W491	L430-I453 HydrophobicContact CB-CD1 4.25Å; L430-I453 HydrophobicContact CB-CG1 4.3Å; L430-I453 HydrophobicContact CD2-CD1 3.92Å; L430-I453 HydrophobicContact CG-CD1 3.89Å; L430-I453 HydrophobicContact CG-CG1 4.31Å; L430-I453 WeakPolarHBondContact O-CG1 3.42Å; L430-I453 PolarHBondContact O-N 2.92Å; L430-I453 VanDerWaalsContact O-N 3.13Å; L433-I453 HydrophobicContact CB-CD1 3.88Å; L450-I453 HydrophobicContact CB-CB 4.46Å; L450-I453 HydrophobicContact CB-CD1 3.99Å; L450-I453 HydrophobicContact CB-CG1 4.05Å; L450-I453 HydrophobicContact CD1-CD1 3.66Å; L450-I453 HydrophobicContact CG-CD1 4.42Å; L450-I453 PolarHBondContact O-N 2.74Å; I453-T455 VanDerWaalsContact C-N 3.3Å; I453-T455 PolarHBondContact O-N 3.21Å; I453-S456 PolarHBondContact O-N 2.74Å; I453-S456 PolarHBondContact O-OG 3.06Å; I453-H457 PolarHBondContact O-CD2 2.61Å; I453-H457 VanDerWaalsContact O-CD2 3.22Å; I453-L467 HydrophobicContact CG2-CB 3.9Å; I453-W491 HydrophobicContact CB-CH2 4.24Å; I453-W491 HydrophobicContact CB-CZ2 4.07Å; I453-W491 HydrophobicContact CG2-CH2 4.23Å; I453-W491 HydrophobicContact CG2-CZ2 3.77Å
454	Q	72.9	Confident	65.4	Low	60 Å²	60	79.6 Å²	79.6	28%	0.28	40%	0.396	S	S	.	.	H	α-helix	trans	-53.9	-45	178.4	-67.5	175.6	-8.2	0	0	112.9	Y448 L450 K451 W491	Y448-Q454 PolarHBondContact O-NE2 3.16Å; L450-Q454 PolarHBondContact O-N 3.49Å; K451-Q454 WeakPolarHBondContact O-CB 3.39Å; K451-Q454 PolarHBondContact O-N 3.47Å; Q454-W491 HydrophobicContact CB-CG 4.5Å; Q454-W491 HydrophobicContact CG-CB 4.3Å; Q454-W491 HydrophobicContact CG-CD2 3.43Å; Q454-W491 VanDerWaalsContact CG-CD2 3.43Å; Q454-W491 HydrophobicContact CG-CE3 3.79Å; Q454-W491 HydrophobicContact CG-CG 3.66Å; Q454-W491 HydrophobicContact CG-CH2 4.37Å; Q454-W491 HydrophobicContact CG-CZ2 4.08Å; Q454-W491 HydrophobicContact CG-CZ3 4.25Å
455	T	65.2	Low	64.3	Low	101 Å²	101	81 Å²	81	62%	0.62	41%	0.406	S	S	*	.	H	α-helix	trans	-84.5	-18.8	-177	50.7	0	0	0	0	113.7	K451 N452 I453 H457	K451-T455 PolarHBondContact O-N 2.87Å; K451-T455 VanDerWaalsContact O-N 3.12Å; K451-T455 PolarHBondContact O-OG1 2.94Å; N452-T455 PolarHBondContact O-OG1 3.16Å; I453-T455 VanDerWaalsContact C-N 3.3Å; I453-T455 PolarHBondContact O-N 3.21Å; T455-H457 VanDerWaalsContact C-N 3.3Å; T455-H457 PolarHBondContact O-N 3.23Å
456	S	61.9	Low	64.3	Low	15 Å²	15	73.3 Å²	73.3	11%	0.105	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-8	-177.8	75.4	0	0	0	0	115.6	R431 N452 I453 L458 S465 G466	R431-S456 PolarHBondContact O-OG 3.24Å; N452-S456 WeakPolarHBondContact O-CB 3.38Å; N452-S456 PolarHBondContact O-N 2.73Å; N452-S456 PolarHBondContact O-OG 3.4Å; I453-S456 PolarHBondContact O-N 2.74Å; I453-S456 PolarHBondContact O-OG 3.06Å; S456-L458 PolarHBondContact O-N 3.23Å; S456-S465 WeakPolarHBondContact O-CB 3.42Å; S456-S465 PolarHBondContact O-OG 3.35Å; S456-G466 WeakPolarHBondContact OG-CA 3.43Å; S456-G466 PolarHBondContact OG-N 2.81Å
457	H	54.1	Low	64.3	Low	63 Å²	63	71.1 Å²	71.1	29%	0.292	36%	0.358	S	S	.	.			trans	-71.3	72.1	-177.9	-81	-84	0	0	0	112.6	I453 T455 G466 L467 T487 W491	I453-H457 PolarHBondContact O-CD2 2.61Å; I453-H457 VanDerWaalsContact O-CD2 3.22Å; T455-H457 VanDerWaalsContact C-N 3.3Å; T455-H457 PolarHBondContact O-N 3.23Å; H457-G466 VanDerWaalsContact CE1-CA 3.45Å; H457-G466 WeakPolarHBondContact CE1-CA 3.21Å; H457-G466 WeakPolarHBondContact NE2-CA 3.2Å; H457-L467 PolarHBondContact CE1-N 3.42Å; H457-L467 PolarHBondContact NE2-N 3.45Å; H457-L467 VanDerWaalsContact NE2-N 3.11Å; H457-T487 PolarHBondContact CD2-OG1 3Å; H457-T487 WeakPolarHBondContact CE1-CG2 3.4Å; H457-T487 PolarHBondContact CE1-OG1 2.66Å; H457-T487 VanDerWaalsContact CG-OG1 3.27Å; H457-T487 PolarHBondContact ND1-OG1 3.48Å; H457-T487 PolarHBondContact NE2-OG1 2.63Å; H457-W491 AromaticContact NE2-NE1 3.98Å
458	L	44.2	Very low	64.1	Low	110 Å²	110	73.7 Å²	73.7	58%	0.576	37%	0.368	S	S	*	.			trans	-128.3	114.1	175.4	-89.3	157.5	0	0	0	109	S456 K460	S456-L458 PolarHBondContact O-N 3.23Å; L458-K460 PolarHBondContact O-N 3.24Å
459	Y	43.3	Very low	64	Low	175 Å²	175	72.3 Å²	72.3	69%	0.686	36%	0.363	S	S	*	.			trans	-67.9	82.7	166.8	-101.2	-88.6	0	0	0	109.9
460	K	34	Very low	63.4	Low	171 Å²	171	73.9 Å²	73.9	74%	0.743	37%	0.368	S	S	*	.	B	Isolated β-bridge	trans	-99.8	88.1	168.6	-90	-171.9	172.4	-179.4	0	110.2	L458	L458-K460 PolarHBondContact O-N 3.24Å
461	G	42.6	Very low	62.6	Low	48 Å²	48	75.5 Å²	75.5	50%	0.495	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	-126.5	175.3	0	0	0	0	0	113
462	L	30.6	Very low	62.1	Low	142 Å²	142	69.1 Å²	69.1	74%	0.743	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-12.5	-178.2	-71.1	169.4	0	0	0	113.8
463	N	37.7	Very low	61.6	Low	125 Å²	125	70.3 Å²	70.3	67%	0.668	37%	0.368	S	S	*	.	B	Isolated β-bridge	trans	-78.5	132.3	-178.7	-77.7	12.6	0	0	0	110.7
464	K	57.2	Low	61	Low	122 Å²	122	71.1 Å²	71.1	53%	0.53	37%	0.373	S	S	.	.			trans	-110.2	87.6	-176.1	-81.5	-174.8	168.9	-164.6	0	110.2	T432 W468	T432-K464 WeakPolarHBondContact CG2-O 3.48Å; K464-W468 HydrophobicContact CB-CH2 4.22Å; K464-W468 HydrophobicContact CB-CZ2 3.49Å; K464-W468 VanDerWaalsContact CB-CZ2 3.49Å; K464-W468 HydrophobicContact CD-CH2 3.56Å; K464-W468 HydrophobicContact CD-CZ2 3.64Å; K464-W468 HydrophobicContact CD-CZ3 4.19Å; K464-W468 HydrophobicContact CG-CH2 3.76Å; K464-W468 HydrophobicContact CG-CZ2 3.57Å
465	S	64.1	Low	60.8	Low	35 Å²	35	73 Å²	73	25%	0.245	39%	0.388	C	S	.	.			trans	-96.6	151.5	172.1	47.5	0	0	0	0	112.3	T432 S456	T432-S465 WeakPolarHBondContact OG1-CA 3.42Å; S456-S465 WeakPolarHBondContact O-CB 3.42Å; S456-S465 PolarHBondContact O-OG 3.35Å
466	G	76.4	Confident	60.7	Low	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.8	-172	-177	0	0	0	0	0	115.3	R431 T432 L433 S456 H457	R431-G466 WeakPolarHBondContact O-CA 3.25Å; R431-G466 PolarHBondContact O-N 3.05Å; T432-G466 WeakPolarHBondContact CA-O 3.17Å; L433-G466 PolarHBondContact N-O 3.29Å; S456-G466 WeakPolarHBondContact OG-CA 3.43Å; S456-G466 PolarHBondContact OG-N 2.81Å; H457-G466 VanDerWaalsContact CE1-CA 3.45Å; H457-G466 WeakPolarHBondContact CE1-CA 3.21Å; H457-G466 WeakPolarHBondContact NE2-CA 3.2Å
467	L	83.8	Confident	60.8	Low	12 Å²	12	70.2 Å²	70.2	6%	0.063	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.1	-179.9	-177.2	61.7	0	0	0	111.9	L433 L447 I453 H457 L469 L490 W491	L433-L467 HydrophobicContact CB-CD1 4Å; L433-L467 HydrophobicContact CD2-CD1 3.88Å; L433-L467 HydrophobicContact CG-CD1 3.97Å; L433-L467 WeakPolarHBondContact O-CA 3.41Å; L447-L467 HydrophobicContact CD2-CD2 3.9Å; I453-L467 HydrophobicContact CG2-CB 3.9Å; H457-L467 PolarHBondContact CE1-N 3.42Å; H457-L467 PolarHBondContact NE2-N 3.45Å; H457-L467 VanDerWaalsContact NE2-N 3.11Å; L467-L469 HydrophobicContact CD1-CD2 4Å; L467-L469 HydrophobicContact CD2-CD1 4.11Å; L467-L469 HydrophobicContact CD2-CD2 4.24Å; L467-L469 HydrophobicContact CD2-CG 4.22Å; L467-L469 HydrophobicContact CG-CD1 4.41Å; L467-L469 HydrophobicContact CG-CD2 4.01Å; L467-L469 HydrophobicContact CG-CG 3.99Å; L467-L490 HydrophobicContact CD2-CD2 3.79Å; L467-W491 HydrophobicContact CB-CZ2 4.01Å; L467-W491 HydrophobicContact CD2-CH2 3.84Å; L467-W491 HydrophobicContact CD2-CZ2 3.92Å
468	W	81.7	Confident	61	Low	55 Å²	55	68 Å²	68	21%	0.208	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.6	178.3	-54.2	74.7	0	0	0	111.4	L433 D434 V435 S436 K464	L433-W468 PolarHBondContact O-N 2.98Å; D434-W468 HydrophobicContact CB-CB 4.21Å; D434-W468 HydrophobicContact CB-CG 4.33Å; D434-W468 WeakPolarHBondContact OD1-CB 3.17Å; V435-W468 CarbonylContact C-O 3.52Å; V435-W468 WeakPolarHBondContact CG2-O 3.49Å; V435-W468 PolarHBondContact N-O 3.2Å; S436-W468 PolarHBondContact N-O 3.44Å; K464-W468 HydrophobicContact CB-CH2 4.22Å; K464-W468 HydrophobicContact CB-CZ2 3.49Å; K464-W468 VanDerWaalsContact CB-CZ2 3.49Å; K464-W468 HydrophobicContact CD-CH2 3.56Å; K464-W468 HydrophobicContact CD-CZ2 3.64Å; K464-W468 HydrophobicContact CD-CZ3 4.19Å; K464-W468 HydrophobicContact CG-CH2 3.76Å; K464-W468 HydrophobicContact CG-CZ2 3.57Å
469	L	78.9	Confident	61.7	Low	9 Å²	9	66.1 Å²	66.1	5%	0.047	35%	0.352	C	S	.	.			trans	-113.7	-5.7	-174.4	-60.8	177.4	0	0	0	114.5	V435 L443 L467 G471 N472 L474 W482 L490	V435-L469 HydrophobicContact CG2-CD2 3.65Å; L443-L469 HydrophobicContact CD1-CD1 3.82Å; L443-L469 HydrophobicContact CD1-CD2 4.2Å; L443-L469 HydrophobicContact CD2-CD2 3.9Å; L467-L469 HydrophobicContact CD1-CD2 4Å; L467-L469 HydrophobicContact CD2-CD1 4.11Å; L467-L469 HydrophobicContact CD2-CD2 4.24Å; L467-L469 HydrophobicContact CD2-CG 4.22Å; L467-L469 HydrophobicContact CG-CD1 4.41Å; L467-L469 HydrophobicContact CG-CD2 4.01Å; L467-L469 HydrophobicContact CG-CG 3.99Å; L469-G471 PolarHBondContact O-N 3.46Å; L469-N472 PolarHBondContact O-N 3.35Å; L469-N472 PolarHBondContact O-ND2 3.46Å; L469-L474 HydrophobicContact CB-CD1 4.17Å; L469-L474 HydrophobicContact CD1-CD1 4Å; L469-L474 HydrophobicContact CG-CD1 4.49Å; L469-W482 HydrophobicContact CB-CE3 3.77Å; L469-W482 HydrophobicContact CB-CZ3 4Å; L469-W482 HydrophobicContact CD1-CB 4.15Å; L469-W482 WeakPolarHBondContact O-CZ3 3.02Å; L469-L490 HydrophobicContact CD1-CD2 3.65Å
470	Q	71	Confident	62.1	Low	113 Å²	113	58.7 Å²	58.7	53%	0.528	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	135.9	-174.5	-176.6	170.3	0.3	0	0	112.3	S436 Y437	S436-Q470 CarbonylContact C-O 3.53Å; S436-Q470 WeakPolarHBondContact CA-O 3.33Å; S436-Q470 WeakPolarHBondContact CB-O 3.28Å; Y437-Q470 PolarHBondContact N-O 3.24Å; Y437-Q470 PolarHBondContact OH-NE2 3.22Å
471	G	68.5	Low	63.2	Low	35 Å²	35	50.8 Å²	50.8	36%	0.361	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	4.7	176.7	0	0	0	0	0	116	L469	L469-G471 PolarHBondContact O-N 3.46Å
472	N	70.5	Confident	64.1	Low	10 Å²	10	49.7 Å²	49.7	5%	0.053	27%	0.272	C	S	.	.			trans	-92.3	144.1	171.4	-72.6	-79.1	0	0	0	112.6	V435 N438 Q439 L440 L469 L474	V435-N472 PolarHBondContact O-ND2 3Å; N438-N472 WeakPolarHBondContact CA-OD1 3.48Å; N438-N472 WeakPolarHBondContact CB-OD1 3.35Å; N438-N472 PolarHBondContact N-OD1 3.39Å; N438-N472 PolarHBondContact O-OD1 3.29Å; Q439-N472 PolarHBondContact N-OD1 2.95Å; L440-N472 HydrophobicContact CB-CB 4.11Å; L440-N472 VanDerWaalsContact CB-OD1 3.31Å; L440-N472 WeakPolarHBondContact CB-OD1 3.46Å; L440-N472 VanDerWaalsContact CG-OD1 3.29Å; L440-N472 WeakPolarHBondContact CG-OD1 3.49Å; L440-N472 PolarHBondContact N-OD1 3.07Å; L469-N472 PolarHBondContact O-N 3.35Å; L469-N472 PolarHBondContact O-ND2 3.46Å; N472-L474 HydrophobicContact CB-CG 4.03Å; N472-L474 PolarHBondContact O-N 3.02Å
473	P	72.6	Confident	65.3	Low	75 Å²	75	48.3 Å²	48.3	49%	0.487	26%	0.26	S	S	.	.			trans	-81	50.9	176.1	36.9	-38.3	0	0	0	112.6	L440 T475	L440-P473 CarbonylContact O-C 3.34Å; L440-P473 WeakPolarHBondContact O-CD 3.32Å; P473-T475 PolarHBondContact O-N 2.83Å; P473-T475 VanDerWaalsContact O-N 3.16Å
474	L	70.7	Confident	65.8	Low	18 Å²	18	44.2 Å²	44.2	9%	0.094	24%	0.24	C	C	.	.			trans	-62.5	115.3	-177.7	-69.3	170.9	0	0	0	111.3	L440 S441 L443 L469 N472 W482	L440-L474 HydrophobicContact CB-CD2 4.18Å; L440-L474 WeakPolarHBondContact O-CD2 3.32Å; L440-L474 PolarHBondContact O-N 2.91Å; S441-L474 WeakPolarHBondContact O-CA 3.31Å; L443-L474 HydrophobicContact CD2-CD2 4.01Å; L443-L474 HydrophobicContact CG-CD2 4.05Å; L469-L474 HydrophobicContact CB-CD1 4.17Å; L469-L474 HydrophobicContact CD1-CD1 4Å; L469-L474 HydrophobicContact CG-CD1 4.49Å; N472-L474 HydrophobicContact CB-CG 4.03Å; N472-L474 PolarHBondContact O-N 3.02Å; L474-W482 HydrophobicContact CB-CZ2 4.34Å; L474-W482 HydrophobicContact CD1-CD2 3.89Å; L474-W482 HydrophobicContact CD1-CE3 4.34Å; L474-W482 HydrophobicContact CD1-CG 4.11Å; L474-W482 HydrophobicContact CD1-CZ2 4.26Å
475	T	67.3	Low	65.4	Low	99 Å²	99	45.3 Å²	45.3	61%	0.607	25%	0.25	S	S	*	.			trans	-98.9	-29.3	179.6	54.9	0	0	0	0	113	S441 P473	S441-T475 PolarHBondContact O-N 3.44Å; S441-T475 PolarHBondContact O-OG1 3.25Å; P473-T475 PolarHBondContact O-N 2.83Å; P473-T475 VanDerWaalsContact O-N 3.16Å
476	S	63.3	Low	64.8	Low	51 Å²	51	47 Å²	47	36%	0.357	26%	0.256	S	S	.	.	S	Bend	trans	-75.5	-24.7	-177.2	59.7	0	0	0	0	114.2	Y493	S476-Y493 PolarHBondContact O-OH 3.38Å
477	I	65.1	Low	64.1	Low	6 Å²	6	47.8 Å²	47.8	3%	0.031	26%	0.261	C	S	.	.	S	Bend	trans	-113.9	125.9	-176.3	-51.6	179.6	0	0	0	109	L443 Q479 V481 W482 L490 Y493 L494	L443-I477 HydrophobicContact CB-CD1 4.44Å; L443-I477 HydrophobicContact CD1-CD1 3.56Å; L443-I477 HydrophobicContact CG-CD1 4.01Å; I477-Q479 PolarHBondContact O-N 3.36Å; I477-V481 HydrophobicContact CG2-CB 4.01Å; I477-V481 HydrophobicContact CG2-CG1 3.88Å; I477-W482 HydrophobicContact CG2-CB 4.23Å; I477-L490 HydrophobicContact CD1-CD1 3.74Å; I477-L490 HydrophobicContact CG2-CD1 4.01Å; I477-Y493 HydrophobicContact CB-CE1 4.44Å; I477-Y493 HydrophobicContact CG1-CE1 4.18Å; I477-Y493 HydrophobicContact CG2-CD1 4.11Å; I477-Y493 HydrophobicContact CG2-CE1 4.16Å; I477-L494 HydrophobicContact CD1-CD2 4.11Å
478	P	57.2	Low	63.1	Low	18 Å²	18	54.1 Å²	54.1	12%	0.117	29%	0.288	C	S	.	.			trans	-53.4	135.3	177.4	-24.6	32.2	0	0	0	111.7	S480 V481 Y493 Y920	P478-S480 PolarHBondContact O-N 3.05Å; P478-V481 HydrophobicContact CB-CG2 4.07Å; P478-V481 HydrophobicContact CG-CG2 4.23Å; P478-V481 WeakPolarHBondContact O-CB 3.33Å; P478-V481 PolarHBondContact O-N 3.26Å; P478-Y493 HydrophobicContact CG-CE2 4.38Å; P478-Y920 HydrophobicContact CB-CD2 4.27Å; P478-Y920 HydrophobicContact CB-CE2 4.37Å
479	Q	58.6	Low	62.2	Low	70 Å²	70	52.5 Å²	52.5	33%	0.327	28%	0.283	S	S	.	.	H	α-helix	trans	-54	-30.2	179.3	-177.5	174.6	-38.8	0	0	113	I477 V481 K483	I477-Q479 PolarHBondContact O-N 3.36Å; Q479-V481 VanDerWaalsContact C-N 3.29Å; Q479-V481 PolarHBondContact O-N 2.88Å; Q479-K483 VanDerWaalsContact CD-NZ 3.35Å; Q479-K483 HydrophobicContact CG-CD 3.55Å; Q479-K483 HydrophobicContact CG-CG 3.94Å; Q479-K483 WeakPolarHBondContact O-CB 3.43Å; Q479-K483 PolarHBondContact O-N 3.03Å; Q479-K483 VanDerWaalsContact O-N 3.13Å
480	S	51.9	Low	61.7	Low	18 Å²	18	52.1 Å²	52.1	13%	0.126	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-21.8	175.3	57.8	0	0	0	0	114.8	P478 T484	P478-S480 PolarHBondContact O-N 3.05Å; S480-T484 VanDerWaalsContact O-CG2 3.25Å; S480-T484 WeakPolarHBondContact O-CG2 3.25Å
481	V	57.7	Low	61.8	Low	5 Å²	5	47.4 Å²	47.4	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-92.3	-30.5	-175.6	170.6	0	0	0	0	112	I477 P478 Q479 T484 L490 Y493	I477-V481 HydrophobicContact CG2-CB 4.01Å; I477-V481 HydrophobicContact CG2-CG1 3.88Å; P478-V481 HydrophobicContact CB-CG2 4.07Å; P478-V481 HydrophobicContact CG-CG2 4.23Å; P478-V481 WeakPolarHBondContact O-CB 3.33Å; P478-V481 PolarHBondContact O-N 3.26Å; Q479-V481 VanDerWaalsContact C-N 3.29Å; Q479-V481 PolarHBondContact O-N 2.88Å; V481-T484 PolarHBondContact O-OG1 3.27Å; V481-T484 VanDerWaalsContact O-OG1 3.12Å; V481-L490 HydrophobicContact CG1-CB 4.36Å; V481-L490 HydrophobicContact CG1-CD1 4.46Å; V481-Y493 HydrophobicContact CG1-CD2 4.41Å; V481-Y493 HydrophobicContact CG1-CG 3.99Å; V481-Y493 HydrophobicContact CG2-CD2 4.47Å
482	W	61.9	Low	61.7	Low	25 Å²	25	49.6 Å²	49.6	10%	0.095	26%	0.258	C	S	.	.	H	α-helix	trans	-108.7	-20.3	-175.5	74.6	-103.3	0	0	0	114.8	L469 L474 I477 T484 L490	L469-W482 HydrophobicContact CB-CE3 3.77Å; L469-W482 HydrophobicContact CB-CZ3 4Å; L469-W482 HydrophobicContact CD1-CB 4.15Å; L469-W482 WeakPolarHBondContact O-CZ3 3.02Å; L474-W482 HydrophobicContact CB-CZ2 4.34Å; L474-W482 HydrophobicContact CD1-CD2 3.89Å; L474-W482 HydrophobicContact CD1-CE3 4.34Å; L474-W482 HydrophobicContact CD1-CG 4.11Å; L474-W482 HydrophobicContact CD1-CZ2 4.26Å; I477-W482 HydrophobicContact CG2-CB 4.23Å; W482-T484 VanDerWaalsContact C-N 3.32Å; W482-L490 HydrophobicContact CB-CD1 4.14Å
483	K	54.6	Low	61.5	Low	113 Å²	113	52.6 Å²	52.6	49%	0.491	27%	0.269	S	S	.	.	S	Bend	trans	-85.2	0.5	171	-66.9	-166.1	-177.3	171.9	0	113.7	Q479	Q479-K483 VanDerWaalsContact CD-NZ 3.35Å; Q479-K483 HydrophobicContact CG-CD 3.55Å; Q479-K483 HydrophobicContact CG-CG 3.94Å; Q479-K483 WeakPolarHBondContact O-CB 3.43Å; Q479-K483 PolarHBondContact O-N 3.03Å; Q479-K483 VanDerWaalsContact O-N 3.13Å
484	T	49.9	Very low	61.4	Low	39 Å²	39	49.6 Å²	49.6	24%	0.239	25%	0.249	C	C	.	.	S	Bend	trans	-66.3	140	171.9	39.5	0	0	0	0	110.8	S480 V481 W482 D486	S480-T484 VanDerWaalsContact O-CG2 3.25Å; S480-T484 WeakPolarHBondContact O-CG2 3.25Å; V481-T484 PolarHBondContact O-OG1 3.27Å; V481-T484 VanDerWaalsContact O-OG1 3.12Å; W482-T484 VanDerWaalsContact C-N 3.32Å; T484-D486 VanDerWaalsContact CB-O 3.3Å; T484-D486 WeakPolarHBondContact CB-O 3.41Å; T484-D486 PolarHBondContact O-N 3.01Å; T484-D486 VanDerWaalsContact O-N 3.16Å; T484-D486 PolarHBondContact OG1-O 3.17Å
485	I	46.9	Very low	61.4	Low	146 Å²	146	53.5 Å²	53.5	75%	0.749	27%	0.266	S	S	*	.	S	Bend	trans	-60.3	-22.4	172	-57.5	167.3	0	0	0	111.2
486	D	52.7	Low	61.3	Low	69 Å²	69	51.3 Å²	51.3	37%	0.369	25%	0.253	S	S	.	.			trans	-100.6	121.3	173.2	-168	-19.8	0	0	0	109.6	T484 K488	T484-D486 VanDerWaalsContact CB-O 3.3Å; T484-D486 WeakPolarHBondContact CB-O 3.41Å; T484-D486 PolarHBondContact O-N 3.01Å; T484-D486 VanDerWaalsContact O-N 3.16Å; T484-D486 PolarHBondContact OG1-O 3.17Å; D486-K488 WeakPolarHBondContact OD1-CB 3.06Å; D486-K488 PolarHBondContact OD1-N 2.98Å
487	T	61.4	Low	61.1	Low	17 Å²	17	51.8 Å²	51.8	10%	0.104	26%	0.256	C	S	.	.			trans	-87.7	-5.2	178.6	54.1	0	0	0	0	113.4	H457 H489 L490 W491	H457-T487 PolarHBondContact CD2-OG1 3Å; H457-T487 WeakPolarHBondContact CE1-CG2 3.4Å; H457-T487 PolarHBondContact CE1-OG1 2.66Å; H457-T487 VanDerWaalsContact CG-OG1 3.27Å; H457-T487 PolarHBondContact ND1-OG1 3.48Å; H457-T487 PolarHBondContact NE2-OG1 2.63Å; T487-H489 PolarHBondContact O-N 3.34Å; T487-H489 VanDerWaalsContact O-N 3.17Å; T487-L490 WeakPolarHBondContact O-CB 3.41Å; T487-L490 PolarHBondContact O-N 3.3Å; T487-W491 PolarHBondContact O-N 2.74Å; T487-W491 PolarHBondContact OG1-NE1 2.83Å
488	K	63.4	Low	60.5	Low	145 Å²	145	56 Å²	56	63%	0.63	28%	0.276	S	S	*	.	H	α-helix	trans	-52.7	-38.1	175.9	-176	-178.2	178	-173.7	0	112.6	D486 K492	D486-K488 WeakPolarHBondContact OD1-CB 3.06Å; D486-K488 PolarHBondContact OD1-N 2.98Å; K488-K492 WeakPolarHBondContact O-CB 3.47Å; K488-K492 PolarHBondContact O-N 3.24Å
489	H	62.2	Low	60.1	Low	21 Å²	21	61.9 Å²	61.9	10%	0.097	30%	0.302	C	S	.	.	H	α-helix	trans	-67.2	-41.5	177	-61.6	-76.7	0	0	0	112.4	T487 Y493 D916	T487-H489 PolarHBondContact O-N 3.34Å; T487-H489 VanDerWaalsContact O-N 3.17Å; H489-Y493 VanDerWaalsContact O-CB 3.28Å; H489-Y493 WeakPolarHBondContact O-CB 2.96Å; H489-Y493 PolarHBondContact O-N 3.43Å; H489-D916 WeakPolarHBondContact CB-OD1 3.42Å; H489-D916 IonicContact CE1-OD1 2.69Å; H489-D916 IonicContact CE1-OD2 2.9Å; H489-D916 IonicContact CG-OD1 3.69Å; H489-D916 VanDerWaalsContact CG-OD1 3.31Å; H489-D916 IonicContact CG-OD2 2.72Å; H489-D916 IonicContact ND1-OD1 3.05Å; H489-D916 PolarHBondContact ND1-OD1 2.73Å; H489-D916 IonicContact ND1-OD2 3.31Å; H489-D916 PolarHBondContact ND1-OD2 3.21Å
490	L	68	Low	59.6	Low	2 Å²	2	65 Å²	65	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-47.7	173.9	174.2	64.1	0	0	0	111.8	L467 L469 I477 V481 W482 T487 Y493 L494	L467-L490 HydrophobicContact CD2-CD2 3.79Å; L469-L490 HydrophobicContact CD1-CD2 3.65Å; I477-L490 HydrophobicContact CD1-CD1 3.74Å; I477-L490 HydrophobicContact CG2-CD1 4.01Å; V481-L490 HydrophobicContact CG1-CB 4.36Å; V481-L490 HydrophobicContact CG1-CD1 4.46Å; W482-L490 HydrophobicContact CB-CD1 4.14Å; T487-L490 WeakPolarHBondContact O-CB 3.41Å; T487-L490 PolarHBondContact O-N 3.3Å; L490-Y493 WeakPolarHBondContact O-CB 3.41Å; L490-Y493 PolarHBondContact O-N 3.43Å; L490-L494 HydrophobicContact CD1-CD1 4.18Å; L490-L494 HydrophobicContact CD1-CG 4.4Å; L490-L494 HydrophobicContact CG-CD1 4.23Å; L490-L494 WeakPolarHBondContact O-CG 3.45Å; L490-L494 PolarHBondContact O-N 3Å
491	W	72.7	Confident	59.1	Low	14 Å²	14	67.9 Å²	67.9	5%	0.053	34%	0.34	C	S	.	.	H	α-helix	trans	-64.9	-43.7	-179.5	-62.2	121.5	0	0	0	112.4	L447 I453 Q454 H457 L467 T487 Y493 L494 E495	L447-W491 HydrophobicContact CD2-CZ3 4.33Å; L447-W491 HydrophobicContact CG-CH2 4.36Å; L447-W491 HydrophobicContact CG-CZ3 4.05Å; L447-W491 WeakPolarHBondContact O-CZ3 3.13Å; I453-W491 HydrophobicContact CB-CH2 4.24Å; I453-W491 HydrophobicContact CB-CZ2 4.07Å; I453-W491 HydrophobicContact CG2-CH2 4.23Å; I453-W491 HydrophobicContact CG2-CZ2 3.77Å; Q454-W491 HydrophobicContact CB-CG 4.5Å; Q454-W491 HydrophobicContact CG-CB 4.3Å; Q454-W491 HydrophobicContact CG-CD2 3.43Å; Q454-W491 VanDerWaalsContact CG-CD2 3.43Å; Q454-W491 HydrophobicContact CG-CE3 3.79Å; Q454-W491 HydrophobicContact CG-CG 3.66Å; Q454-W491 HydrophobicContact CG-CH2 4.37Å; Q454-W491 HydrophobicContact CG-CZ2 4.08Å; Q454-W491 HydrophobicContact CG-CZ3 4.25Å; H457-W491 AromaticContact NE2-NE1 3.98Å; L467-W491 HydrophobicContact CB-CZ2 4.01Å; L467-W491 HydrophobicContact CD2-CH2 3.84Å; L467-W491 HydrophobicContact CD2-CZ2 3.92Å; T487-W491 PolarHBondContact O-N 2.74Å; T487-W491 PolarHBondContact OG1-NE1 2.83Å; W491-Y493 VanDerWaalsContact C-N 3.33Å; W491-Y493 PolarHBondContact O-N 3.05Å; W491-L494 HydrophobicContact CE3-CD1 4.04Å; W491-L494 HydrophobicContact CZ3-CD1 4.28Å; W491-L494 PolarHBondContact O-N 2.87Å; W491-E495 PolarHBondContact O-N 3.25Å
492	K	66.7	Low	57.9	Low	80 Å²	80	72.9 Å²	72.9	35%	0.348	37%	0.365	S	S	.	.	H	α-helix	trans	-65.6	-33.8	174.7	-171.6	179.2	175.1	-165.1	0	112.3	K488 V496 N913	K488-K492 WeakPolarHBondContact O-CB 3.47Å; K488-K492 PolarHBondContact O-N 3.24Å; K492-V496 HydrophobicContact CG-CG2 4.46Å; K492-V496 WeakPolarHBondContact O-CB 3.37Å; K492-V496 VanDerWaalsContact O-CG2 3.25Å; K492-V496 WeakPolarHBondContact O-CG2 3.15Å; K492-V496 PolarHBondContact O-N 3.08Å; K492-N913 VanDerWaalsContact NZ-CG 3.34Å; K492-N913 PolarHBondContact NZ-ND2 2.81Å
493	Y	67.1	Low	56.5	Low	74 Å²	74	75.7 Å²	75.7	29%	0.29	39%	0.387	S	S	.	.	H	α-helix	trans	-63.6	-48	174.6	-179.1	-91.5	0	0	0	111.3	S476 I477 P478 V481 H489 L490 W491 V496 S497	S476-Y493 PolarHBondContact O-OH 3.38Å; I477-Y493 HydrophobicContact CB-CE1 4.44Å; I477-Y493 HydrophobicContact CG1-CE1 4.18Å; I477-Y493 HydrophobicContact CG2-CD1 4.11Å; I477-Y493 HydrophobicContact CG2-CE1 4.16Å; P478-Y493 HydrophobicContact CG-CE2 4.38Å; V481-Y493 HydrophobicContact CG1-CD2 4.41Å; V481-Y493 HydrophobicContact CG1-CG 3.99Å; V481-Y493 HydrophobicContact CG2-CD2 4.47Å; H489-Y493 VanDerWaalsContact O-CB 3.28Å; H489-Y493 WeakPolarHBondContact O-CB 2.96Å; H489-Y493 PolarHBondContact O-N 3.43Å; L490-Y493 WeakPolarHBondContact O-CB 3.41Å; L490-Y493 PolarHBondContact O-N 3.43Å; W491-Y493 VanDerWaalsContact C-N 3.33Å; W491-Y493 PolarHBondContact O-N 3.05Å; Y493-V496 PolarHBondContact O-N 3.27Å; Y493-S497 PolarHBondContact O-N 3.18Å; Y493-S497 PolarHBondContact O-OG 3.46Å; Y493-S497 VanDerWaalsContact O-OG 3.12Å
494	L	71.2	Confident	55.6	Low	11 Å²	11	74.2 Å²	74.2	6%	0.058	40%	0.396	C	S	.	.	H	α-helix	trans	-60.8	-45.2	178.4	-67.7	167.1	0	0	0	111.8	L447 I477 L490 W491 V496 S497	L447-L494 HydrophobicContact CB-CD1 4.38Å; L447-L494 HydrophobicContact CD2-CD1 4.26Å; I477-L494 HydrophobicContact CD1-CD2 4.11Å; L490-L494 HydrophobicContact CD1-CD1 4.18Å; L490-L494 HydrophobicContact CD1-CG 4.4Å; L490-L494 HydrophobicContact CG-CD1 4.23Å; L490-L494 WeakPolarHBondContact O-CG 3.45Å; L490-L494 PolarHBondContact O-N 3Å; W491-L494 HydrophobicContact CE3-CD1 4.04Å; W491-L494 HydrophobicContact CZ3-CD1 4.28Å; W491-L494 PolarHBondContact O-N 2.87Å; L494-V496 PolarHBondContact O-N 3.3Å; L494-S497 WeakPolarHBondContact CA-OG 3.38Å; L494-S497 PolarHBondContact O-N 3.38Å; L494-S497 PolarHBondContact O-OG 2.94Å
495	E	69.6	Low	54.9	Low	100 Å²	100	79.7 Å²	79.7	47%	0.467	42%	0.419	S	S	.	.	H	α-helix	trans	-61.5	-38.7	175.9	-174.6	178.5	-150.8	0	0	112.7	W491	W491-E495 PolarHBondContact O-N 3.25Å
496	V	64.9	Low	54.4	Low	54 Å²	54	79.9 Å²	79.9	33%	0.327	41%	0.411	S	S	.	.	H	α-helix	trans	-78.7	-28.2	179.6	171.9	0	0	0	0	112.8	K492 Y493 L494 E498 Q499	K492-V496 HydrophobicContact CG-CG2 4.46Å; K492-V496 WeakPolarHBondContact O-CB 3.37Å; K492-V496 VanDerWaalsContact O-CG2 3.25Å; K492-V496 WeakPolarHBondContact O-CG2 3.15Å; K492-V496 PolarHBondContact O-N 3.08Å; Y493-V496 PolarHBondContact O-N 3.27Å; L494-V496 PolarHBondContact O-N 3.3Å; V496-E498 VanDerWaalsContact C-N 3.33Å; V496-E498 PolarHBondContact O-N 3.5Å; V496-Q499 PolarHBondContact O-N 3Å
497	S	59.2	Low	53.6	Low	61 Å²	61	83.8 Å²	83.8	43%	0.427	42%	0.422	S	S	.	.	H	α-helix	trans	-64.4	-36.6	176.6	41.2	0	0	0	0	112.7	Y493 L494 K500	Y493-S497 PolarHBondContact O-N 3.18Å; Y493-S497 PolarHBondContact O-OG 3.46Å; Y493-S497 VanDerWaalsContact O-OG 3.12Å; L494-S497 WeakPolarHBondContact CA-OG 3.38Å; L494-S497 PolarHBondContact O-N 3.38Å; L494-S497 PolarHBondContact O-OG 2.94Å; S497-K500 PolarHBondContact O-N 2.92Å
498	E	53.1	Low	52.3	Low	93 Å²	93	88.8 Å²	88.8	44%	0.435	45%	0.447	S	S	.	.	H	α-helix	trans	-63.1	-47.6	176.4	-175.4	-171.9	-138.4	0	0	111.7	Y448 V496 K500 A501	Y448-E498 VanDerWaalsContact CZ-OE2 3.31Å; Y448-E498 PolarHBondContact OH-OE1 3.09Å; Y448-E498 PolarHBondContact OH-OE2 3.03Å; Y448-E498 VanDerWaalsContact OH-OE2 3.07Å; V496-E498 VanDerWaalsContact C-N 3.33Å; V496-E498 PolarHBondContact O-N 3.5Å; E498-K500 PolarHBondContact O-N 3.07Å; E498-A501 PolarHBondContact O-N 2.79Å
499	Q	49.4	Very low	51	Low	143 Å²	143	86.3 Å²	86.3	67%	0.668	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-10.5	-176	-65.6	-177	9.2	0	0	114.8	V496	V496-Q499 PolarHBondContact O-N 3Å
500	K	46.6	Very low	49.7	Very low	134 Å²	134	90.2 Å²	90.2	58%	0.583	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-1	179.6	-69.3	176.2	-178.8	168.5	0	113.8	S497 E498 L502	S497-K500 PolarHBondContact O-N 2.92Å; E498-K500 PolarHBondContact O-N 3.07Å; K500-L502 PolarHBondContact O-N 3.04Å
501	A	43	Very low	48.2	Very low	80 Å²	80	98.4 Å²	98.4	66%	0.661	50%	0.5	S	S	*	.			trans	-77.9	58.6	175	0	0	0	0	0	112.5	E498	E498-A501 PolarHBondContact O-N 2.79Å
502	L	31.4	Very low	46.5	Very low	109 Å²	109	106.5 Å²	106.5	57%	0.571	54%	0.536	S	S	*	.			trans	-63.6	128.6	171.8	-96.6	154.6	0	0	0	110.2	K500 A504 Y506	K500-L502 PolarHBondContact O-N 3.04Å; L502-A504 PolarHBondContact O-N 3.16Å; L502-Y506 HydrophobicContact CD2-CD2 4.1Å; L502-Y506 HydrophobicContact CD2-CG 4.08Å
503	P	33.3	Very low	45	Very low	85 Å²	85	108.3 Å²	108.3	55%	0.552	55%	0.553	S	S	*	*			trans	-56.2	140.4	-179.4	-26.7	34.4	0	0	0	112.4	Q505 Y506	P503-Q505 PolarHBondContact O-N 3.02Å; P503-Y506 PolarHBondContact O-N 3.45Å
504	A	34.4	Very low	43.5	Very low	81 Å²	81	111.7 Å²	111.7	67%	0.669	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	-19.5	-174.8	0	0	0	0	0	115	L502 Y506 Y507	L502-A504 PolarHBondContact O-N 3.16Å; A504-Y506 VanDerWaalsContact C-N 3.29Å; A504-Y506 PolarHBondContact O-N 3.24Å; A504-Y507 PolarHBondContact O-N 3.35Å
505	Q	36.2	Very low	41.5	Very low	155 Å²	155	114 Å²	114	72%	0.724	60%	0.601	S	S	*	*	H	α-helix	trans	-63.5	-27.8	174.4	-65.2	178.4	-5.9	0	0	113.5	P503 L508	P503-Q505 PolarHBondContact O-N 3.02Å; Q505-L508 PolarHBondContact O-N 3.32Å
506	Y	36.5	Very low	39.7	Very low	150 Å²	150	118.7 Å²	118.7	59%	0.588	62%	0.62	S	S	*	*	H	α-helix	trans	-69.7	-33.3	178.6	-112.1	-90.5	0	0	0	113.2	L502 P503 A504 L508 V509 I510	L502-Y506 HydrophobicContact CD2-CD2 4.1Å; L502-Y506 HydrophobicContact CD2-CG 4.08Å; P503-Y506 PolarHBondContact O-N 3.45Å; A504-Y506 VanDerWaalsContact C-N 3.29Å; A504-Y506 PolarHBondContact O-N 3.24Å; Y506-L508 VanDerWaalsContact C-N 3.33Å; Y506-L508 PolarHBondContact O-N 3.36Å; Y506-V509 PolarHBondContact O-N 2.85Å; Y506-I510 PolarHBondContact O-N 2.88Å
507	Y	35	Very low	38	Very low	151 Å²	151	123.1 Å²	123.1	59%	0.592	64%	0.641	S	S	*	*	H	α-helix	trans	-62.4	-40.2	175	-82.8	-89	0	0	0	111.5	A504 V509 I510 F511	A504-Y507 PolarHBondContact O-N 3.35Å; Y507-V509 VanDerWaalsContact C-N 3.26Å; Y507-V509 PolarHBondContact O-N 2.71Å; Y507-I510 PolarHBondContact O-N 3.19Å; Y507-F511 WeakPolarHBondContact O-CD2 3.5Å; Y507-F511 PolarHBondContact O-N 3.01Å; Y507-F511 VanDerWaalsContact O-N 3.11Å
508	L	35.1	Very low	36.7	Very low	122 Å²	122	127.5 Å²	127.5	64%	0.639	66%	0.66	S	S	*	*	H	α-helix	trans	-64.8	-24.4	179.4	-90.2	160.1	0	0	0	114.3	Q505 Y506	Q505-L508 PolarHBondContact O-N 3.32Å; Y506-L508 VanDerWaalsContact C-N 3.33Å; Y506-L508 PolarHBondContact O-N 3.36Å
509	V	36	Very low	35.8	Very low	92 Å²	92	127.2 Å²	127.2	56%	0.558	67%	0.665	S	S	*	*	H	α-helix	trans	-80.4	-43.2	176.8	-179.9	0	0	0	0	110.9	Y506 Y507 F511 K512	Y506-V509 PolarHBondContact O-N 2.85Å; Y507-V509 VanDerWaalsContact C-N 3.26Å; Y507-V509 PolarHBondContact O-N 2.71Å; V509-F511 VanDerWaalsContact C-N 3.33Å; V509-F511 PolarHBondContact O-N 3.03Å; V509-K512 PolarHBondContact O-N 2.85Å; V509-K512 VanDerWaalsContact O-N 3.16Å
510	I	34.4	Very low	34.9	Very low	103 Å²	103	129.2 Å²	129.2	53%	0.528	67%	0.674	S	S	.	*	H	α-helix	trans	-63.6	-40.3	178.1	-63.4	174.1	0	0	0	110.8	Y506 Y507 K512 V513	Y506-I510 PolarHBondContact O-N 2.88Å; Y507-I510 PolarHBondContact O-N 3.19Å; I510-K512 PolarHBondContact O-N 3.13Å; I510-V513 PolarHBondContact O-N 3.42Å
511	F	37.5	Very low	34.3	Very low	175 Å²	175	132 Å²	132	77%	0.768	69%	0.686	S	S	*	*	H	α-helix	trans	-66.3	-13	176.5	-90.2	-71.8	0	0	0	115.2	Y507 V509	Y507-F511 WeakPolarHBondContact O-CD2 3.5Å; Y507-F511 PolarHBondContact O-N 3.01Å; Y507-F511 VanDerWaalsContact O-N 3.11Å; V509-F511 VanDerWaalsContact C-N 3.33Å; V509-F511 PolarHBondContact O-N 3.03Å
512	K	35.4	Very low	33.9	Very low	184 Å²	184	134.4 Å²	134.4	80%	0.8	68%	0.683	S	S	*	*	H	α-helix	trans	-98	-17	176.9	-89.2	-174.4	173.5	-179.1	0	114.8	V509 I510	V509-K512 PolarHBondContact O-N 2.85Å; V509-K512 VanDerWaalsContact O-N 3.16Å; I510-K512 PolarHBondContact O-N 3.13Å
513	V	36.6	Very low	33.9	Very low	118 Å²	118	133.2 Å²	133.2	72%	0.715	68%	0.677	S	S	*	*	H	α-helix	trans	-94.8	-25	-175	177.2	0	0	0	0	112.4	I510 G515	I510-V513 PolarHBondContact O-N 3.42Å; V513-G515 PolarHBondContact O-N 2.85Å
514	I	34.6	Very low	33.6	Very low	144 Å²	144	138 Å²	138	74%	0.738	68%	0.684	S	S	*	*	S	Bend	trans	-98.9	75.4	179	-52	-179.2	0	0	0	109.7
515	G	29.6	Very low	33.5	Very low	59 Å²	59	141 Å²	141	61%	0.608	68%	0.682	S	S	*	*			trans	-98.6	149.8	171.9	0	0	0	0	0	112.8	V513	V513-G515 PolarHBondContact O-N 2.85Å
516	F	31.6	Very low	33.2	Very low	200 Å²	200	139.7 Å²	139.7	88%	0.877	68%	0.676	S	S	*	*	S	Bend	trans	79.2	123.3	168.2	-86.7	-101.1	0	0	0	120.1
517	L	29.6	Very low	32.8	Very low	147 Å²	147	137.6 Å²	137.6	77%	0.77	67%	0.674	S	S	*	*	S	Bend	trans	91.2	131.4	160.6	-57.8	163.5	0	0	0	118.7
518	N	31	Very low	32.6	Very low	152 Å²	152	135.8 Å²	135.8	81%	0.813	67%	0.671	S	S	*	*	S	Bend	trans	75	-3.4	174.5	-66.8	-14.2	0	0	0	121.3	Q520	N518-Q520 PolarHBondContact O-N 2.89Å
519	V	34.3	Very low	32.5	Very low	88 Å²	88	133.9 Å²	133.9	53%	0.533	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.4	61.2	-174.2	-159	0	0	0	0	114.4	I523	V519-I523 HydrophobicContact CG1-CD1 3.62Å; V519-I523 HydrophobicContact CG1-CG1 3.72Å
520	Q	31.7	Very low	32.4	Very low	184 Å²	184	137.4 Å²	137.4	86%	0.86	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128	-17.7	165.9	-89.4	-160.9	-11.6	0	0	115.7	N518	N518-Q520 PolarHBondContact O-N 2.89Å
521	K	33.5	Very low	32.2	Very low	193 Å²	193	139.2 Å²	139.2	84%	0.839	68%	0.679	S	S	*	*	S	Bend	trans	-87.1	-25.6	166.1	-81.4	-176	173.2	-179.8	0	113
522	Q	34.6	Very low	32.1	Very low	130 Å²	130	133.1 Å²	133.1	61%	0.607	66%	0.659	S	S	*	*	H	α-helix	trans	-83.8	-31.7	-173.5	-144.9	146.8	-6	0	0	113.3	R524 F525 E526	Q522-R524 VanDerWaalsContact C-N 3.27Å; Q522-R524 PolarHBondContact O-N 2.99Å; Q522-F525 WeakPolarHBondContact O-CB 3.3Å; Q522-F525 PolarHBondContact O-N 3.13Å; Q522-F525 VanDerWaalsContact O-N 3.15Å; Q522-E526 PolarHBondContact O-N 3.16Å
523	I	31.2	Very low	32.4	Very low	85 Å²	85	129.6 Å²	129.6	44%	0.436	65%	0.649	S	S	.	*	H	α-helix	trans	-66.1	-26.7	173.6	-79.9	167.2	0	0	0	112.7	V519 L527	V519-I523 HydrophobicContact CG1-CD1 3.62Å; V519-I523 HydrophobicContact CG1-CG1 3.72Å; I523-L527 HydrophobicContact CG2-CD1 4.03Å; I523-L527 PolarHBondContact O-N 2.87Å; I523-L527 VanDerWaalsContact O-N 3.16Å
524	R	27.9	Very low	33	Very low	186 Å²	186	126.3 Å²	126.3	70%	0.702	63%	0.629	S	S	*	*	H	α-helix	trans	-69.4	-41.1	172.3	-135.2	178.2	-167.1	170.3	3.6	111	Q522 L527 E528	Q522-R524 VanDerWaalsContact C-N 3.27Å; Q522-R524 PolarHBondContact O-N 2.99Å; R524-L527 PolarHBondContact O-N 3.43Å; R524-E528 WeakPolarHBondContact O-CB 3.48Å; R524-E528 WeakPolarHBondContact O-CG 3.3Å; R524-E528 PolarHBondContact O-N 2.77Å
525	F	30.7	Very low	33.9	Very low	142 Å²	142	125.1 Å²	125.1	62%	0.623	62%	0.618	S	S	*	*	H	α-helix	trans	-62.2	-43.8	173.4	-125	-91.3	0	0	0	112.3	Q522 L527 E528 D529	Q522-F525 WeakPolarHBondContact O-CB 3.3Å; Q522-F525 PolarHBondContact O-N 3.13Å; Q522-F525 VanDerWaalsContact O-N 3.15Å; F525-L527 VanDerWaalsContact C-N 3.31Å; F525-L527 PolarHBondContact O-N 3.49Å; F525-E528 PolarHBondContact O-N 3.16Å; F525-D529 WeakPolarHBondContact O-CB 3.46Å; F525-D529 PolarHBondContact O-N 3.32Å
526	E	30.5	Very low	35.3	Very low	128 Å²	128	124 Å²	124	60%	0.598	60%	0.6	S	S	*	*	H	α-helix	trans	-72.5	-18.3	179	-69.7	-175.2	148.1	0	0	114.4	Q522	Q522-E526 PolarHBondContact O-N 3.16Å
527	L	28.9	Very low	36.9	Very low	106 Å²	106	115.7 Å²	115.7	56%	0.555	57%	0.566	S	S	*	*	H	α-helix	trans	-87.7	-32.2	170.7	-80.5	163	0	0	0	112.3	I523 R524 F525 K530	I523-L527 HydrophobicContact CG2-CD1 4.03Å; I523-L527 PolarHBondContact O-N 2.87Å; I523-L527 VanDerWaalsContact O-N 3.16Å; R524-L527 PolarHBondContact O-N 3.43Å; F525-L527 VanDerWaalsContact C-N 3.31Å; F525-L527 PolarHBondContact O-N 3.49Å; L527-K530 PolarHBondContact O-N 3.12Å
528	E	30.5	Very low	38.9	Very low	113 Å²	113	109.5 Å²	109.5	53%	0.528	53%	0.533	S	S	.	.	H	α-helix	trans	-72.9	-33.2	172.1	-73.1	164.1	-169.6	0	0	111.4	R524 F525 K530 L531 S532	R524-E528 WeakPolarHBondContact O-CB 3.48Å; R524-E528 WeakPolarHBondContact O-CG 3.3Å; R524-E528 PolarHBondContact O-N 2.77Å; F525-E528 PolarHBondContact O-N 3.16Å; E528-K530 VanDerWaalsContact C-N 3.28Å; E528-K530 PolarHBondContact O-N 2.98Å; E528-L531 PolarHBondContact O-N 3.46Å; E528-S532 PolarHBondContact O-N 3.11Å; E528-S532 VanDerWaalsContact O-N 3.15Å
529	D	33.3	Very low	41.1	Very low	82 Å²	82	102.2 Å²	102.2	44%	0.439	49%	0.494	S	S	.	.	H	α-helix	trans	-70.3	-18.2	173.6	-99.6	-22.3	0	0	0	114.2	F525 L531 S532 N533	F525-D529 WeakPolarHBondContact O-CB 3.46Å; F525-D529 PolarHBondContact O-N 3.32Å; D529-L531 PolarHBondContact O-N 3.07Å; D529-S532 WeakPolarHBondContact CA-OG 3.49Å; D529-S532 PolarHBondContact O-N 2.89Å; D529-S532 PolarHBondContact O-OG 3.48Å; D529-S532 WeakPolarHBondContact OD1-CB 3.47Å; D529-S532 PolarHBondContact OD1-OG 3.08Å; D529-N533 PolarHBondContact O-N 2.94Å
530	K	32.5	Very low	43.1	Very low	166 Å²	166	98 Å²	98	72%	0.722	47%	0.469	S	S	*	.	H	α-helix	trans	-70.8	-18.6	167.9	-77.2	-174.5	176.3	-175.1	0	113.2	L527 E528	L527-K530 PolarHBondContact O-N 3.12Å; E528-K530 VanDerWaalsContact C-N 3.28Å; E528-K530 PolarHBondContact O-N 2.98Å
531	L	31.7	Very low	45.4	Very low	141 Å²	141	89.3 Å²	89.3	74%	0.738	43%	0.428	S	S	*	.	H	α-helix	trans	-94.1	-19.6	168.8	-77.2	126.9	0	0	0	112.6	E528 D529	E528-L531 PolarHBondContact O-N 3.46Å; D529-L531 PolarHBondContact O-N 3.07Å
532	S	35	Very low	47.6	Very low	47 Å²	47	80.1 Å²	80.1	33%	0.329	39%	0.388	S	S	.	.	H	α-helix	trans	-77.5	-20	-180	88.5	0	0	0	0	114	E528 D529 T534	E528-S532 PolarHBondContact O-N 3.11Å; E528-S532 VanDerWaalsContact O-N 3.15Å; D529-S532 WeakPolarHBondContact CA-OG 3.49Å; D529-S532 PolarHBondContact O-N 2.89Å; D529-S532 PolarHBondContact O-OG 3.48Å; D529-S532 WeakPolarHBondContact OD1-CB 3.47Å; D529-S532 PolarHBondContact OD1-OG 3.08Å; S532-T534 VanDerWaalsContact C-N 3.28Å; S532-T534 PolarHBondContact O-N 3.27Å
533	N	41.4	Very low	49.4	Very low	111 Å²	111	74 Å²	74	59%	0.594	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	1.8	-174.8	-107.5	-10.7	0	0	0	115.6	D529 K535	D529-N533 PolarHBondContact O-N 2.94Å; N533-K535 PolarHBondContact O-N 2.87Å
534	T	48.5	Very low	51.2	Low	48 Å²	48	71.9 Å²	71.9	29%	0.294	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-63.3	119	178.7	59.3	0	0	0	0	111.3	S532	S532-T534 VanDerWaalsContact C-N 3.28Å; S532-T534 PolarHBondContact O-N 3.27Å
535	K	54.9	Low	52.8	Low	120 Å²	120	70.2 Å²	70.2	52%	0.522	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-50.8	126.9	167.2	-178	-175.8	178.7	-172.1	0	108.8	N533 T537	N533-K535 PolarHBondContact O-N 2.87Å; K535-T537 PolarHBondContact O-N 2.85Å
536	P	58.1	Low	54.4	Low	34 Å²	34	70 Å²	70	22%	0.221	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-63.1	127.7	-178.4	26.3	-34.2	0	0	0	109.7	K538 K613 I615	P536-K538 PolarHBondContact O-N 3.34Å; P536-K613 VanDerWaalsContact CA-O 3.32Å; P536-K613 WeakPolarHBondContact CA-O 3.32Å; P536-K613 HydrophobicContact CB-CB 4.26Å; P536-I615 HydrophobicContact CB-CD1 4.09Å; P536-I615 HydrophobicContact CB-CG1 4.09Å; P536-I615 HydrophobicContact CG-CD1 4.14Å
537	T	66	Low	56.2	Low	26 Å²	26	64 Å²	64	16%	0.16	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.7	-176.5	-61.4	0	0	0	0	109.7	K535 I539 K613 M614 I615 I842	K535-T537 PolarHBondContact O-N 2.85Å; T537-I539 HydrophobicContact CG2-CG1 4.23Å; T537-K613 PolarHBondContact N-O 3.05Å; T537-K613 VanDerWaalsContact N-O 3.08Å; T537-M614 WeakPolarHBondContact O-CA 3.42Å; T537-I615 PolarHBondContact O-N 2.66Å; T537-I842 HydrophobicContact CG2-CD1 4.06Å; T537-I842 HydrophobicContact CG2-CG1 4.01Å
538	K	71	Confident	58.1	Low	17 Å²	17	59.4 Å²	59.4	7%	0.074	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	123.1	171	-58.4	-178.1	-175.9	168.1	0	108.7	P536 F540 Y617 D650 S653 F654 S923 I924	P536-K538 PolarHBondContact O-N 3.34Å; K538-F540 HydrophobicContact CB-CE2 3.91Å; K538-F540 HydrophobicContact CD-CE2 4.26Å; K538-F540 HydrophobicContact CD-CZ 4.41Å; K538-Y617 HydrophobicContact CB-CD2 4.31Å; K538-Y617 HydrophobicContact CB-CE2 3.89Å; K538-Y617 HydrophobicContact CD-CE2 4.2Å; K538-Y617 HydrophobicContact CG-CE2 3.87Å; K538-D650 IonicContact NZ-OD2 3.22Å; K538-D650 PolarHBondContact NZ-OD2 3.24Å; K538-S653 WeakPolarHBondContact CB-OG 3.45Å; K538-F654 PolarHBondContact O-N 3.37Å; K538-S923 PolarHBondContact NZ-O 2.81Å; K538-I924 WeakPolarHBondContact CE-O 3.4Å
539	I	76.3	Confident	60	Low	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.3	175.5	-57.5	177.4	0	0	0	108.5	T537 M614 I615 F616 Y617 F654 I656 I838	T537-I539 HydrophobicContact CG2-CG1 4.23Å; I539-M614 HydrophobicContact CD1-CB 4.23Å; I539-M614 HydrophobicContact CD1-CG 4.02Å; I539-M614 HydrophobicContact CD1-SD 3.5Å; I539-M614 VanDerWaalsContact CD1-SD 3.5Å; I539-I615 PolarHBondContact N-O 2.9Å; I539-F616 HydrophobicContact CB-CD1 3.82Å; I539-F616 HydrophobicContact CB-CE1 3.88Å; I539-F616 HydrophobicContact CD1-CE1 3.93Å; I539-F616 HydrophobicContact CD1-CE2 4.47Å; I539-F616 HydrophobicContact CD1-CZ 3.87Å; I539-F616 HydrophobicContact CG2-CD1 3.73Å; I539-F616 HydrophobicContact CG2-CE1 3.54Å; I539-F616 CarbonylContact O-C 3.5Å; I539-F616 WeakPolarHBondContact O-CA 3.44Å; I539-Y617 PolarHBondContact O-N 3.07Å; I539-F654 CarbonylContact C-O 3.17Å; I539-F654 WeakPolarHBondContact CA-O 3.33Å; I539-F654 HydrophobicContact CG1-CB 4.38Å; I539-F654 HydrophobicContact CG2-CD1 4.2Å; I539-I656 HydrophobicContact CG2-CD1 3.79Å; I539-I656 HydrophobicContact CG2-CG1 4.22Å; I539-I838 HydrophobicContact CD1-CG2 3.9Å
540	F	77.9	Confident	61.5	Low	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.2	178.1	-70.7	-84.1	0	0	0	110.3	K538 I542 Y617 I619 L648 L649 S653 F654 Y655 I656	K538-F540 HydrophobicContact CB-CE2 3.91Å; K538-F540 HydrophobicContact CD-CE2 4.26Å; K538-F540 HydrophobicContact CD-CZ 4.41Å; F540-I542 HydrophobicContact CB-CD1 4.29Å; F540-I542 HydrophobicContact CB-CG1 4.35Å; F540-Y617 WeakPolarHBondContact CA-O 3.26Å; F540-Y617 HydrophobicContact CD1-CD2 4.19Å; F540-Y617 AromaticContact CD1-CG 3.87Å; F540-Y617 HydrophobicContact CD1-CG 3.87Å; F540-Y617 VanDerWaalsContact CE1-CB 3.44Å; F540-Y617 AromaticContact CE1-CD1 3.92Å; F540-Y617 HydrophobicContact CE1-CD1 3.92Å; F540-Y617 AromaticContact CE1-CD2 3.74Å; F540-Y617 HydrophobicContact CE1-CD2 3.74Å; F540-Y617 HydrophobicContact CE1-CE2 4.44Å; F540-Y617 AromaticContact CE1-CG 3.43Å; F540-Y617 HydrophobicContact CE1-CG 3.43Å; F540-Y617 VanDerWaalsContact CE1-CG 3.43Å; F540-Y617 HydrophobicContact CE2-CD2 4.27Å; F540-Y617 HydrophobicContact CZ-CD1 4.43Å; F540-Y617 AromaticContact CZ-CD2 3.78Å; F540-Y617 HydrophobicContact CZ-CD2 3.78Å; F540-Y617 HydrophobicContact CZ-CE2 4.13Å; F540-Y617 AromaticContact CZ-CG 3.94Å; F540-Y617 HydrophobicContact CZ-CG 3.94Å; F540-I619 HydrophobicContact CD1-CD1 3.49Å; F540-I619 VanDerWaalsContact CD1-CD1 3.49Å; F540-I619 HydrophobicContact CD1-CG1 4.12Å; F540-I619 HydrophobicContact CE1-CD1 3.62Å; F540-L648 HydrophobicContact CE1-CD2 4.34Å; F540-L648 HydrophobicContact CE1-CG 4.06Å; F540-L648 HydrophobicContact CZ-CG 4.27Å; F540-L648 WeakPolarHBondContact CZ-O 3.29Å; F540-L649 HydrophobicContact CD1-CD2 3.8Å; F540-L649 HydrophobicContact CD2-CD2 4.46Å; F540-L649 HydrophobicContact CE1-CD2 3.7Å; F540-L649 HydrophobicContact CE2-CD2 4.36Å; F540-L649 HydrophobicContact CG-CD2 4.21Å; F540-L649 HydrophobicContact CZ-CD2 4Å; F540-S653 WeakPolarHBondContact CE2-OG 3.25Å; F540-F654 PolarHBondContact N-O 3.04Å; F540-Y655 HydrophobicContact CB-CD1 3.48Å; F540-Y655 VanDerWaalsContact CB-CD1 3.48Å; F540-Y655 HydrophobicContact CB-CE1 3.52Å; F540-Y655 HydrophobicContact CB-CG 4.44Å; F540-Y655 HydrophobicContact CD2-CD1 4.18Å; F540-Y655 AromaticContact CD2-CE1 3.5Å; F540-Y655 HydrophobicContact CD2-CE1 3.5Å; F540-Y655 AromaticContact CD2-CZ 3.73Å; F540-Y655 HydrophobicContact CE2-CE1 4.39Å; F540-Y655 HydrophobicContact CG-CD1 4.09Å; F540-Y655 AromaticContact CG-CE1 3.59Å; F540-Y655 HydrophobicContact CG-CE1 3.59Å; F540-I656 PolarHBondContact O-N 2.84Å
541	I	79.9	Confident	63.2	Low	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.7	172.5	-64.2	172.5	0	0	0	107.8	K549 I553 F616 Y617 I619 I656 L658	I541-K549 HydrophobicContact CG2-CB 3.93Å; I541-K549 HydrophobicContact CG2-CD 4.16Å; I541-K549 HydrophobicContact CG2-CG 3.8Å; I541-I553 HydrophobicContact CD1-CD1 3.95Å; I541-I553 HydrophobicContact CD1-CG1 3.51Å; I541-F616 HydrophobicContact CD1-CD1 3.59Å; I541-F616 HydrophobicContact CD1-CE1 3.88Å; I541-F616 HydrophobicContact CG1-CD1 4.14Å; I541-F616 HydrophobicContact CG1-CE1 4.48Å; I541-Y617 PolarHBondContact N-O 3.08Å; I541-I619 PolarHBondContact O-N 3.21Å; I541-I656 HydrophobicContact CG1-CB 4.41Å; I541-I656 HydrophobicContact CG1-CD1 4.47Å; I541-L658 HydrophobicContact CG2-CD1 3.93Å; I541-L658 HydrophobicContact CG2-CG 4.15Å
542	I	78.1	Confident	65.1	Low	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.3	-172.1	-62.1	177.7	0	0	0	108.7	F540 I619 L621 Y655 I656 L657 L658 H678 L682	F540-I542 HydrophobicContact CB-CD1 4.29Å; F540-I542 HydrophobicContact CB-CG1 4.35Å; I542-I619 HydrophobicContact CG1-CB 4.5Å; I542-L621 HydrophobicContact CG2-CD1 4.16Å; I542-Y655 HydrophobicContact CD1-CD1 3.7Å; I542-Y655 HydrophobicContact CD1-CE1 4.12Å; I542-I656 PolarHBondContact N-O 3.4Å; I542-L657 HydrophobicContact CB-CD1 4.27Å; I542-L657 HydrophobicContact CG2-CD1 3.88Å; I542-L657 WeakPolarHBondContact O-CA 3.43Å; I542-L658 PolarHBondContact O-N 3.49Å; I542-H678 HydrophobicContact CG2-CB 4.35Å; I542-H678 WeakPolarHBondContact CG2-CD2 3.36Å; I542-L682 HydrophobicContact CD1-CD1 3.99Å; I542-L682 HydrophobicContact CD1-CD2 3.76Å; I542-L682 HydrophobicContact CD1-CG 4.21Å
543	G	72.4	Confident	66.8	Low	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.7	166.3	179.6	0	0	0	0	0	112	K549	G543-K549 WeakPolarHBondContact O-CE 3.49Å; G543-K549 PolarHBondContact O-NZ 3.04Å
544	D	69.1	Low	68	Low	42 Å²	42	37.9 Å²	37.9	23%	0.225	19%	0.188	C	C	.	.			trans	-65.9	168.6	179.8	-72.7	-54.1	0	0	0	113.4	F546 S547 Q623 S674 H678	D544-F546 PolarHBondContact O-N 2.9Å; D544-S547 PolarHBondContact N-OG 2.94Å; D544-S547 WeakPolarHBondContact O-CB 3.35Å; D544-S547 PolarHBondContact O-N 2.79Å; D544-S547 PolarHBondContact O-OG 3.44Å; D544-Q623 PolarHBondContact OD1-NE2 2.99Å; D544-S674 VanDerWaalsContact CG-OG 3.31Å; D544-S674 PolarHBondContact OD1-OG 3.01Å; D544-S674 VanDerWaalsContact OD2-CB 3.29Å; D544-S674 WeakPolarHBondContact OD2-CB 3.42Å; D544-S674 PolarHBondContact OD2-OG 3.25Å; D544-H678 IonicContact OD1-CE1 3.24Å
545	K	62.8	Low	68.8	Low	151 Å²	151	37.7 Å²	37.7	66%	0.657	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49	-35.3	-179.8	-169.3	175.8	-179.1	180	0	114
546	F	63.8	Low	69.5	Low	137 Å²	137	32.3 Å²	32.3	60%	0.601	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	14.6	-176.7	-55.2	-67.3	0	0	0	114.5	D544 G548 N660 L663	D544-F546 PolarHBondContact O-N 2.9Å; F546-G548 VanDerWaalsContact C-N 3.32Å; F546-G548 PolarHBondContact O-N 3.36Å; F546-N660 WeakPolarHBondContact O-CB 3.49Å; F546-N660 PolarHBondContact O-ND2 2.92Å; F546-L663 HydrophobicContact CB-CD1 3.98Å
547	S	67.8	Low	69.7	Low	2 Å²	2	34.6 Å²	34.6	1%	0.014	17%	0.169	C	C	.	.	S	Bend	trans	-80.5	-3.6	-177.9	62.6	0	0	0	0	115.1	D544 K549 L658 T696	D544-S547 PolarHBondContact N-OG 2.94Å; D544-S547 WeakPolarHBondContact O-CB 3.35Å; D544-S547 PolarHBondContact O-N 2.79Å; D544-S547 PolarHBondContact O-OG 3.44Å; S547-K549 WeakPolarHBondContact OG-CG 3.42Å; S547-L658 WeakPolarHBondContact CB-O 3.44Å; S547-T696 VanDerWaalsContact O-CG2 3.31Å; S547-T696 WeakPolarHBondContact O-CG2 3.27Å; S547-T696 PolarHBondContact O-OG1 3.46Å
548	G	68	Low	69.1	Low	9 Å²	9	40.7 Å²	40.7	9%	0.093	19%	0.193	C	C	.	.			trans	85.4	13.1	174.9	0	0	0	0	0	116	F546 S550 T551 L552	F546-G548 VanDerWaalsContact C-N 3.32Å; F546-G548 PolarHBondContact O-N 3.36Å; G548-S550 PolarHBondContact O-N 3.06Å; G548-T551 WeakPolarHBondContact O-CA 3.28Å; G548-T551 WeakPolarHBondContact O-CB 3.32Å; G548-T551 PolarHBondContact O-N 3.08Å; G548-L552 PolarHBondContact O-N 3.17Å
549	K	72.1	Confident	67.7	Low	11 Å²	11	42.1 Å²	42.1	5%	0.048	20%	0.2	C	C	.	.	H	α-helix	trans	-46.7	-58.2	-177.1	-61	-172.9	-60.5	-161.3	0	113.8	I541 G543 S547 T551 L552 I553 E618 I619 T620 L658	I541-K549 HydrophobicContact CG2-CB 3.93Å; I541-K549 HydrophobicContact CG2-CD 4.16Å; I541-K549 HydrophobicContact CG2-CG 3.8Å; G543-K549 WeakPolarHBondContact O-CE 3.49Å; G543-K549 PolarHBondContact O-NZ 3.04Å; S547-K549 WeakPolarHBondContact OG-CG 3.42Å; K549-T551 PolarHBondContact O-N 3.21Å; K549-L552 PolarHBondContact O-N 3.06Å; K549-I553 WeakPolarHBondContact O-CG1 3.25Å; K549-I553 PolarHBondContact O-N 3.1Å; K549-E618 HydrophobicContact CB-CG 4.1Å; K549-E618 WeakPolarHBondContact CB-OE1 3.3Å; K549-E618 HydrophobicContact CD-CG 4.32Å; K549-I619 PolarHBondContact NZ-O 3.4Å; K549-T620 PolarHBondContact NZ-OG1 2.87Å; K549-L658 HydrophobicContact CB-CD1 4.27Å; K549-L658 HydrophobicContact CG-CD1 3.84Å; K549-L658 HydrophobicContact CG-CG 4.47Å
550	S	64.4	Low	65.7	Low	28 Å²	28	46 Å²	46	20%	0.196	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	-26.7	-177.2	-25.3	0	0	0	0	112.2	G548 K554 E618	G548-S550 PolarHBondContact O-N 3.06Å; S550-K554 WeakPolarHBondContact O-CB 3.21Å; S550-K554 WeakPolarHBondContact O-CG 3.33Å; S550-K554 PolarHBondContact O-N 3.36Å; S550-E618 PolarHBondContact N-OE1 2.89Å; S550-E618 PolarHBondContact OG-OE1 3.15Å
551	T	67.3	Low	63.4	Low	50 Å²	50	49.4 Å²	49.4	31%	0.307	26%	0.264	S	S	.	.	H	α-helix	trans	-72.1	-41.2	173.8	-52.6	0	0	0	0	111.5	G548 K549 K554 H555 L800	G548-T551 WeakPolarHBondContact O-CA 3.28Å; G548-T551 WeakPolarHBondContact O-CB 3.32Å; G548-T551 PolarHBondContact O-N 3.08Å; K549-T551 PolarHBondContact O-N 3.21Å; T551-K554 PolarHBondContact O-N 3.44Å; T551-H555 PolarHBondContact O-N 3.38Å; T551-H555 VanDerWaalsContact O-N 3.15Å; T551-H555 PolarHBondContact O-ND1 2.87Å; T551-L800 HydrophobicContact CG2-CB 4Å; T551-L800 HydrophobicContact CG2-CD1 4.07Å; T551-L800 HydrophobicContact CG2-CD2 4.47Å; T551-L800 HydrophobicContact CG2-CG 4.42Å
552	L	73.2	Confident	60.8	Low	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-45.8	174.1	-177.5	65.4	0	0	0	111.2	G548 K549 K554 H555 L556 L658 L800 L834	G548-L552 PolarHBondContact O-N 3.17Å; K549-L552 PolarHBondContact O-N 3.06Å; L552-K554 VanDerWaalsContact C-N 3.32Å; L552-K554 PolarHBondContact O-N 2.96Å; L552-H555 PolarHBondContact O-N 2.96Å; L552-H555 VanDerWaalsContact O-N 3.12Å; L552-L556 HydrophobicContact CG-CD1 4.06Å; L552-L556 WeakPolarHBondContact O-CG 3.2Å; L552-L556 PolarHBondContact O-N 3.49Å; L552-L658 HydrophobicContact CB-CD1 4.38Å; L552-L658 HydrophobicContact CD2-CD1 3.87Å; L552-L658 HydrophobicContact CD2-CD2 3.87Å; L552-L658 HydrophobicContact CD2-CG 4.47Å; L552-L800 HydrophobicContact CD1-CD2 4.3Å; L552-L834 HydrophobicContact CD1-CD2 3.85Å
553	I	69	Low	58.4	Low	8 Å²	8	62.3 Å²	62.3	4%	0.041	33%	0.331	C	S	.	.	H	α-helix	trans	-60	-42.1	176.2	-66.4	165.4	0	0	0	111	I541 K549 H555 L556 M557 N604 E618	I541-I553 HydrophobicContact CD1-CD1 3.95Å; I541-I553 HydrophobicContact CD1-CG1 3.51Å; K549-I553 WeakPolarHBondContact O-CG1 3.25Å; K549-I553 PolarHBondContact O-N 3.1Å; I553-H555 VanDerWaalsContact C-N 3.29Å; I553-H555 PolarHBondContact O-N 2.84Å; I553-L556 PolarHBondContact O-N 2.96Å; I553-M557 HydrophobicContact CG2-CG 4.18Å; I553-M557 WeakPolarHBondContact O-CB 3.14Å; I553-M557 WeakPolarHBondContact O-CG 3.47Å; I553-M557 PolarHBondContact O-N 3.09Å; I553-N604 WeakPolarHBondContact CG2-ND2 3.05Å; I553-E618 HydrophobicContact CD1-CB 3.75Å; I553-E618 HydrophobicContact CD1-CG 3.97Å; I553-E618 WeakPolarHBondContact CD1-OE2 3.34Å
554	K	66.4	Low	56.2	Low	111 Å²	111	67.8 Å²	67.8	48%	0.483	37%	0.365	S	S	.	.	H	α-helix	trans	-61.7	-32.3	175.5	-79.8	171.6	-177.2	178.6	0	113.5	S550 T551 L552 K558 L596	S550-K554 WeakPolarHBondContact O-CB 3.21Å; S550-K554 WeakPolarHBondContact O-CG 3.33Å; S550-K554 PolarHBondContact O-N 3.36Å; T551-K554 PolarHBondContact O-N 3.44Å; L552-K554 VanDerWaalsContact C-N 3.32Å; L552-K554 PolarHBondContact O-N 2.96Å; K554-K558 WeakPolarHBondContact O-CB 3.41Å; K554-K558 WeakPolarHBondContact O-CG 3.35Å; K554-L596 VanDerWaalsContact CE-CD1 3.41Å
555	H	67.4	Low	54	Low	44 Å²	44	70.9 Å²	70.9	20%	0.204	39%	0.39	C	S	.	.	H	α-helix	trans	-74.5	-52.3	175.2	-76.8	86.7	0	0	0	110.9	T551 L552 I553 M557 K558 V831	T551-H555 PolarHBondContact O-N 3.38Å; T551-H555 VanDerWaalsContact O-N 3.15Å; T551-H555 PolarHBondContact O-ND1 2.87Å; L552-H555 PolarHBondContact O-N 2.96Å; L552-H555 VanDerWaalsContact O-N 3.12Å; I553-H555 VanDerWaalsContact C-N 3.29Å; I553-H555 PolarHBondContact O-N 2.84Å; H555-M557 PolarHBondContact O-N 3.32Å; H555-M557 VanDerWaalsContact O-N 3.13Å; H555-K558 PolarHBondContact O-N 3.42Å; H555-V831 HydrophobicContact CB-CG2 4.18Å
556	L	67.8	Low	52.1	Low	7 Å²	7	69.6 Å²	69.6	4%	0.037	40%	0.395	C	S	.	.	H	α-helix	trans	-54.1	-35.5	178.1	-69.4	168.2	0	0	0	112.9	L552 I553 F616 V831 L834 W835	L552-L556 HydrophobicContact CG-CD1 4.06Å; L552-L556 WeakPolarHBondContact O-CG 3.2Å; L552-L556 PolarHBondContact O-N 3.49Å; I553-L556 PolarHBondContact O-N 2.96Å; L556-F616 HydrophobicContact CD1-CE1 4.07Å; L556-F616 HydrophobicContact CD1-CZ 3.94Å; L556-V831 HydrophobicContact CD2-CG1 3.94Å; L556-L834 HydrophobicContact CD2-CD2 4.44Å; L556-W835 HydrophobicContact CB-CZ2 4.13Å; L556-W835 HydrophobicContact CD2-CD2 4.2Å; L556-W835 HydrophobicContact CD2-CZ2 3.93Å
557	M	62.6	Low	50.2	Low	82 Å²	82	72.9 Å²	72.9	40%	0.404	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-12.8	-179.6	-65.5	-74.4	-77.9	0	0	114.7	I553 H555 N604 C606	I553-M557 HydrophobicContact CG2-CG 4.18Å; I553-M557 WeakPolarHBondContact O-CB 3.14Å; I553-M557 WeakPolarHBondContact O-CG 3.47Å; I553-M557 PolarHBondContact O-N 3.09Å; H555-M557 PolarHBondContact O-N 3.32Å; H555-M557 VanDerWaalsContact O-N 3.13Å; M557-N604 HydrophobicContact CE-CB 4.2Å; M557-N604 HydrophobicContact SD-CB 4.4Å; M557-C606 HydrophobicContact SD-CB 3.95Å
558	K	54.2	Low	48	Very low	155 Å²	155	78.4 Å²	78.4	67%	0.674	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-18.2	-171.9	-98.5	-176	175.6	-179.8	0	115.5	K554 H555	K554-K558 WeakPolarHBondContact O-CB 3.41Å; K554-K558 WeakPolarHBondContact O-CG 3.35Å; H555-K558 PolarHBondContact O-N 3.42Å
559	E	41.1	Very low	45.8	Very low	47 Å²	47	82.8 Å²	82.8	22%	0.22	47%	0.469	C	S	.	.	S	Bend	trans	-91.9	-11.7	-174.1	-66.8	-177.7	132.7	0	0	113.7	S561 L804 V831	E559-S561 PolarHBondContact O-N 3.08Å; E559-S561 VanDerWaalsContact O-N 3.1Å; E559-L804 HydrophobicContact CG-CD1 4.39Å; E559-L804 WeakPolarHBondContact OE1-CD2 3.26Å; E559-V831 WeakPolarHBondContact OE2-CG1 3.39Å
560	G	34.5	Very low	43.5	Very low	80 Å²	80	90.7 Å²	90.7	83%	0.825	51%	0.511	S	S	*	.	S	Bend	trans	-72.9	6.5	-179.7	0	0	0	0	0	116.7
561	S	28.7	Very low	41.5	Very low	72 Å²	72	94.5 Å²	94.5	50%	0.503	54%	0.535	S	S	.	.			trans	-143.7	85.7	-178	64.3	0	0	0	0	112.7	E559	E559-S561 PolarHBondContact O-N 3.08Å; E559-S561 VanDerWaalsContact O-N 3.1Å
562	I	27	Very low	39.5	Very low	138 Å²	138	96.5 Å²	96.5	71%	0.708	55%	0.551	S	S	*	*			trans	-119.8	109.5	173.5	-59.3	177.2	0	0	0	109.6
563	N	26.4	Very low	37.2	Very low	135 Å²	135	103.1 Å²	103.1	72%	0.722	58%	0.582	S	S	*	*			trans	-158	102.8	144.6	-101.1	-27.5	0	0	0	111.8
564	T	25.7	Very low	35.1	Very low	114 Å²	114	110 Å²	110	70%	0.699	62%	0.618	S	S	*	*			trans	40.3	124.1	145.9	57.7	0	0	0	0	122.2
565	S	23.4	Very low	33.2	Very low	107 Å²	107	111.5 Å²	111.5	75%	0.748	63%	0.627	S	S	*	*			trans	59.1	90	143.1	60.8	0	0	0	0	119.7
566	T	24.2	Very low	31.2	Very low	124 Å²	124	117.8 Å²	117.8	76%	0.761	66%	0.656	S	S	*	*			trans	-165.8	143.3	133.4	10.9	0	0	0	0	109.8	I568	T566-I568 VanDerWaalsContact C-N 3.31Å; T566-I568 HydrophobicContact CG2-CD1 4.41Å; T566-I568 PolarHBondContact O-N 3.02Å
567	Q	22.5	Very low	29.2	Very low	207 Å²	207	124.6 Å²	124.6	97%	0.967	69%	0.686	S	S	*	*			trans	-77.8	79.1	171.7	-77.8	-177	-34.5	0	0	109.8
568	I	21.4	Very low	27.4	Very low	118 Å²	118	124 Å²	124	61%	0.605	69%	0.689	S	S	*	*			trans	-135.1	141.8	177.5	-60.4	178.6	0	0	0	109.8	T566	T566-I568 VanDerWaalsContact C-N 3.31Å; T566-I568 HydrophobicContact CG2-CD1 4.41Å; T566-I568 PolarHBondContact O-N 3.02Å
569	S	22.2	Very low	26.3	Very low	100 Å²	100	120.4 Å²	120.4	70%	0.699	68%	0.676	S	S	*	*	S	Bend	trans	-45.9	138.9	175.8	50.3	0	0	0	0	114.4
570	L	23.5	Very low	25.7	Very low	177 Å²	177	122.6 Å²	122.6	93%	0.927	69%	0.69	S	S	*	*	S	Bend	trans	21.2	80.4	165	-127.9	78.2	0	0	0	115
571	P	24	Very low	25.5	Very low	109 Å²	109	125.5 Å²	125.5	71%	0.708	68%	0.677	S	S	*	*			trans	-76.4	149.2	-161.3	-19.8	33.8	0	0	0	116.1	Q573	P571-Q573 PolarHBondContact O-N 2.65Å
572	S	24	Very low	25.4	Very low	91 Å²	91	129.9 Å²	129.9	64%	0.636	69%	0.687	S	S	*	*			trans	-70.5	103	171.2	48.5	0	0	0	0	113.5
573	Q	24.8	Very low	25.5	Very low	139 Å²	139	127 Å²	127	65%	0.65	68%	0.679	S	S	*	*			trans	-142.8	9.9	150.8	-72.8	-159.1	-27.5	0	0	114.1	P571 E575	P571-Q573 PolarHBondContact O-N 2.65Å; Q573-E575 VanDerWaalsContact C-N 3.26Å; Q573-E575 PolarHBondContact O-N 2.75Å
574	L	26	Very low	25.6	Very low	154 Å²	154	128.5 Å²	128.5	81%	0.806	68%	0.684	S	S	*	*			trans	-84.1	27.5	-179	-83.9	163	0	0	0	114.6	H576	L574-H576 PolarHBondContact O-N 3.22Å
575	E	25.7	Very low	25.9	Very low	142 Å²	142	126.5 Å²	126.5	66%	0.664	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	11.2	-159.6	-67.6	-162.8	152.4	0	0	117.1	Q573	Q573-E575 VanDerWaalsContact C-N 3.26Å; Q573-E575 PolarHBondContact O-N 2.75Å
576	H	25.9	Very low	26	Very low	176 Å²	176	129.6 Å²	129.6	82%	0.815	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-10.2	175.7	-79.3	13.2	0	0	0	115.9	L574	L574-H576 PolarHBondContact O-N 3.22Å
577	F	25.7	Very low	26.3	Very low	150 Å²	150	129.5 Å²	129.5	66%	0.658	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130	16.2	170.1	-88.8	-83.8	0	0	0	114.5	I579	F577-I579 PolarHBondContact O-N 3.4Å; F577-I579 VanDerWaalsContact O-N 3.12Å
578	S	24.2	Very low	26.7	Very low	68 Å²	68	123.4 Å²	123.4	48%	0.476	64%	0.639	S	S	.	*			trans	-60.4	117.1	162.8	-157.3	0	0	0	0	109.5	K871	S578-K871 PolarHBondContact O-NZ 3.05Å; S578-K871 VanDerWaalsContact O-NZ 3.1Å
579	I	31.3	Very low	26.9	Very low	80 Å²	80	121.1 Å²	121.1	41%	0.41	63%	0.632	S	S	.	*			trans	-64	145.1	140.2	-66.8	172.4	0	0	0	105.4	F577 Y581	F577-I579 PolarHBondContact O-N 3.4Å; F577-I579 VanDerWaalsContact O-N 3.12Å; I579-Y581 PolarHBondContact O-N 3.09Å
580	D	27.5	Very low	27.3	Very low	93 Å²	93	124.2 Å²	124.2	50%	0.497	64%	0.64	S	S	.	*			trans	-72.7	73.9	-177.8	-178.2	21.6	0	0	0	111.5	K582 S583	D580-K582 PolarHBondContact O-N 2.92Å; D580-K582 WeakPolarHBondContact OD1-CB 3.45Å; D580-K582 PolarHBondContact OD1-N 3.16Å; D580-S583 PolarHBondContact O-OG 2.79Å; D580-S583 PolarHBondContact OD1-N 3.39Å; D580-S583 WeakPolarHBondContact OD2-CB 3.25Å; D580-S583 PolarHBondContact OD2-OG 2.97Å
581	Y	32.2	Very low	27.4	Very low	141 Å²	141	123.2 Å²	123.2	55%	0.553	64%	0.636	S	S	*	*	H	α-helix	trans	-62.5	-27.1	170.7	-92.6	-67.6	0	0	0	110.8	I579 S583 M584 I585	I579-Y581 PolarHBondContact O-N 3.09Å; Y581-S583 PolarHBondContact O-N 3.22Å; Y581-M584 PolarHBondContact O-N 3.42Å; Y581-I585 HydrophobicContact CD1-CD1 3.69Å; Y581-I585 HydrophobicContact CD1-CG1 4.44Å; Y581-I585 HydrophobicContact CG-CD1 4.14Å; Y581-I585 WeakPolarHBondContact O-CB 3.46Å; Y581-I585 WeakPolarHBondContact O-CG1 3.09Å; Y581-I585 PolarHBondContact O-N 3.3Å
582	K	25	Very low	27.6	Very low	164 Å²	164	122.4 Å²	122.4	71%	0.713	63%	0.629	S	S	*	*	H	α-helix	trans	-64.8	-37.9	-176.5	-90.4	178.6	175.5	172.3	0	113.3	D580 M584 I585	D580-K582 PolarHBondContact O-N 2.92Å; D580-K582 WeakPolarHBondContact OD1-CB 3.45Å; D580-K582 PolarHBondContact OD1-N 3.16Å; K582-M584 VanDerWaalsContact C-N 3.35Å; K582-I585 PolarHBondContact O-N 3.35Å
583	S	29.7	Very low	27.6	Very low	79 Å²	79	127 Å²	127	55%	0.552	64%	0.64	S	S	*	*	H	α-helix	trans	-72.5	-24	177.5	56.9	0	0	0	0	114	D580 Y581	D580-S583 PolarHBondContact O-OG 2.79Å; D580-S583 PolarHBondContact OD1-N 3.39Å; D580-S583 WeakPolarHBondContact OD2-CB 3.25Å; D580-S583 PolarHBondContact OD2-OG 2.97Å; Y581-S583 PolarHBondContact O-N 3.22Å
584	M	27.8	Very low	27.8	Very low	166 Å²	166	125.8 Å²	125.8	82%	0.818	64%	0.637	S	S	*	*	H	α-helix	trans	-88.6	-16.5	172	-77.4	-167.5	168.7	0	0	114.6	Y581 K582	Y581-M584 PolarHBondContact O-N 3.42Å; K582-M584 VanDerWaalsContact C-N 3.35Å
585	I	32.1	Very low	27.9	Very low	71 Å²	71	122.6 Å²	122.6	36%	0.364	63%	0.626	S	S	.	*			trans	-100.2	7.2	-167.1	-73.2	-177.4	0	0	0	115.2	Y581 K582 N587 I588	Y581-I585 HydrophobicContact CD1-CD1 3.69Å; Y581-I585 HydrophobicContact CD1-CG1 4.44Å; Y581-I585 HydrophobicContact CG-CD1 4.14Å; Y581-I585 WeakPolarHBondContact O-CB 3.46Å; Y581-I585 WeakPolarHBondContact O-CG1 3.09Å; Y581-I585 PolarHBondContact O-N 3.3Å; K582-I585 PolarHBondContact O-N 3.35Å; I585-N587 PolarHBondContact O-N 3.28Å; I585-I588 HydrophobicContact CB-CD1 4.48Å; I585-I588 HydrophobicContact CD1-CD1 4.3Å; I585-I588 HydrophobicContact CG1-CD1 3.86Å; I585-I588 HydrophobicContact CG2-CB 4.22Å; I585-I588 HydrophobicContact CG2-CD1 4.29Å; I585-I588 HydrophobicContact CG2-CG1 4.29Å; I585-I588 PolarHBondContact O-N 3.01Å
586	Q	27.1	Very low	28.2	Very low	173 Å²	173	119.4 Å²	119.4	81%	0.808	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-3	178	-71.5	-167.8	-10.1	0	0	116.1
587	N	30.4	Very low	28.6	Very low	121 Å²	121	117.9 Å²	117.9	65%	0.647	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.4	19.2	179.6	-72.3	-58.6	0	0	0	115.2	I585 L974	I585-N587 PolarHBondContact O-N 3.28Å; N587-L974 HydrophobicContact CB-CD2 4.49Å
588	I	30.4	Very low	29.2	Very low	80 Å²	80	115.8 Å²	115.8	41%	0.41	59%	0.594	S	S	.	*			trans	-107.5	121.6	176.6	-51.1	-173.2	0	0	0	110.6	I585 V592	I585-I588 HydrophobicContact CB-CD1 4.48Å; I585-I588 HydrophobicContact CD1-CD1 4.3Å; I585-I588 HydrophobicContact CG1-CD1 3.86Å; I585-I588 HydrophobicContact CG2-CB 4.22Å; I585-I588 HydrophobicContact CG2-CD1 4.29Å; I585-I588 HydrophobicContact CG2-CG1 4.29Å; I585-I588 PolarHBondContact O-N 3.01Å; I588-V592 HydrophobicContact CG2-CG2 4.31Å
589	P	26.4	Very low	29.7	Very low	70 Å²	70	114.5 Å²	114.5	46%	0.455	59%	0.585	S	S	.	*			trans	-72.5	145	173.8	29.6	-32.9	0	0	0	111.3	N591	P589-N591 PolarHBondContact O-N 3.36Å
590	N	28.8	Very low	30.4	Very low	165 Å²	165	111.4 Å²	111.4	88%	0.882	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	8	-168.7	-68.8	-26.8	0	0	0	117.7
591	N	26.2	Very low	31.5	Very low	155 Å²	155	107.8 Å²	107.8	83%	0.829	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	25.2	-167.8	-66.5	12.4	0	0	0	113.9	P589	P589-N591 PolarHBondContact O-N 3.36Å
592	V	27.5	Very low	32.5	Very low	92 Å²	92	102.8 Å²	102.8	56%	0.558	53%	0.533	S	S	*	.			trans	-101.2	90	177.9	-173.5	0	0	0	0	110.5	I588 L594	I588-V592 HydrophobicContact CG2-CG2 4.31Å; V592-L594 PolarHBondContact O-N 2.97Å
593	E	25.5	Very low	33.9	Very low	189 Å²	189	95.9 Å²	95.9	88%	0.883	50%	0.504	S	S	*	.			trans	-73.1	109.5	163.4	-69.5	-167.3	142.1	0	0	109.2	P595	E593-P595 WeakPolarHBondContact O-CD 3.06Å
594	L	28.1	Very low	35.2	Very low	112 Å²	112	94 Å²	94	59%	0.586	49%	0.488	S	S	*	.			trans	-73.5	122.7	168.5	-77.3	162	0	0	0	109	V592 L596 Y975	V592-L594 PolarHBondContact O-N 2.97Å; L594-L596 PolarHBondContact O-N 3.15Å; L594-Y975 HydrophobicContact CD2-CE2 4.28Å
595	P	27.8	Very low	36.7	Very low	88 Å²	88	90.6 Å²	90.6	57%	0.571	47%	0.47	S	S	*	.			trans	-68.8	105.6	175.2	25.5	-30.4	0	0	0	109.9	E593 E597	E593-P595 WeakPolarHBondContact O-CD 3.06Å; P595-E597 PolarHBondContact O-N 3.16Å
596	L	33.2	Very low	38.1	Very low	75 Å²	75	88.5 Å²	88.5	39%	0.393	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-60.8	-8.4	-177	-80.9	152.1	0	0	0	115	K554 L594 W598 L602	K554-L596 VanDerWaalsContact CE-CD1 3.41Å; L594-L596 PolarHBondContact O-N 3.15Å; L596-W598 VanDerWaalsContact C-N 3.27Å; L596-W598 PolarHBondContact O-N 3.44Å; L596-L602 HydrophobicContact CD2-CD1 4.45Å
597	E	33.9	Very low	39.7	Very low	144 Å²	144	83.9 Å²	83.9	67%	0.673	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-79.4	-0	-169.5	-50.2	-179.5	158.7	0	0	114.8	P595	P595-E597 PolarHBondContact O-N 3.16Å
598	W	37.4	Very low	41.4	Very low	106 Å²	106	78.5 Å²	78.5	40%	0.402	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-120	10	-163.5	-58.4	63.8	0	0	0	114.6	L596 I959 S962	L596-W598 VanDerWaalsContact C-N 3.27Å; L596-W598 PolarHBondContact O-N 3.44Å; W598-I959 HydrophobicContact CB-CG2 3.76Å; W598-I959 HydrophobicContact CE3-CB 4.26Å; W598-I959 HydrophobicContact CE3-CG1 4.01Å; W598-I959 HydrophobicContact CE3-CG2 4.07Å; W598-I959 VanDerWaalsContact O-CD1 3.29Å; W598-I959 WeakPolarHBondContact O-CD1 3.48Å; W598-S962 VanDerWaalsContact CZ3-CB 3.41Å; W598-S962 WeakPolarHBondContact CZ3-OG 3.3Å
599	S	36.4	Very low	43	Very low	40 Å²	40	79.1 Å²	79.1	28%	0.28	43%	0.429	S	S	.	.			trans	-111.5	115.8	169.3	57.1	0	0	0	0	110.8	I601	S599-I601 PolarHBondContact O-N 3.3Å
600	P	45.9	Very low	44.7	Very low	15 Å²	15	81.6 Å²	81.6	10%	0.097	44%	0.438	C	S	.	.	S	Bend	trans	-79.7	5.5	-177.8	35.4	-37	0	0	0	113.6	E618 I619 L641 N952	P600-E618 CarbonylContact C-O 3.38Å; P600-E618 VanDerWaalsContact C-O 3.29Å; P600-E618 VanDerWaalsContact O-O 3.08Å; P600-I619 WeakPolarHBondContact O-CA 3.42Å; P600-L641 HydrophobicContact CB-CD1 4.02Å; P600-L641 HydrophobicContact CG-CD1 4.23Å; P600-L641 HydrophobicContact CG-CD2 4.26Å; P600-N952 VanDerWaalsContact CD-ND2 3.3Å; P600-N952 WeakPolarHBondContact CD-ND2 3.41Å; P600-N952 WeakPolarHBondContact CD-OD1 3.43Å; P600-N952 HydrophobicContact CG-CB 4.49Å; P600-N952 WeakPolarHBondContact CG-OD1 3.5Å
601	I	49.4	Very low	46.2	Very low	17 Å²	17	75.9 Å²	75.9	9%	0.087	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	93	170.4	-48.7	173.4	0	0	0	108.3	S599 I603 Y617 E618 L641 L648 L948	S599-I601 PolarHBondContact O-N 3.3Å; I601-I603 HydrophobicContact CG2-CD1 4.37Å; I601-I603 HydrophobicContact CG2-CG1 3.97Å; I601-Y617 HydrophobicContact CG2-CD1 4.06Å; I601-E618 WeakPolarHBondContact CA-O 3.34Å; I601-E618 PolarHBondContact N-O 3.41Å; I601-L641 HydrophobicContact CD1-CD2 4.3Å; I601-L648 HydrophobicContact CD1-CD2 3.85Å; I601-L648 HydrophobicContact CG1-CD2 4.47Å; I601-L648 HydrophobicContact CG2-CD2 4.38Å; I601-L948 HydrophobicContact CD1-CB 4.28Å; I601-L948 HydrophobicContact CD1-CD1 4.14Å; I601-L948 HydrophobicContact CD1-CD2 3.93Å; I601-L948 HydrophobicContact CD1-CG 4.34Å; I601-L948 HydrophobicContact CG2-CD1 4.22Å
602	L	53.1	Low	47.8	Very low	37 Å²	37	70.2 Å²	70.2	19%	0.194	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125.9	165.6	-163.8	81.8	0	0	0	108.7	L596 N604 F616 Y617 E618	L596-L602 HydrophobicContact CD2-CD1 4.45Å; L602-N604 WeakPolarHBondContact CD2-ND2 3.48Å; L602-F616 VanDerWaalsContact O-O 3.12Å; L602-Y617 CarbonylContact O-C 3.56Å; L602-Y617 VanDerWaalsContact O-CA 3.26Å; L602-Y617 WeakPolarHBondContact O-CA 3.46Å; L602-E618 HydrophobicContact CB-CB 3.71Å; L602-E618 PolarHBondContact N-O 2.92Å; L602-E618 PolarHBondContact O-N 3.08Å
603	I	55.5	Low	49.4	Very low	18 Å²	18	70.3 Å²	70.3	9%	0.092	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	108.7	176.3	-57	-173.9	0	0	0	109.5	I601 I615 F616 Y617 T945 L948	I601-I603 HydrophobicContact CG2-CD1 4.37Å; I601-I603 HydrophobicContact CG2-CG1 3.97Å; I603-I615 HydrophobicContact CG2-CG2 3.61Å; I603-F616 VanDerWaalsContact CA-O 3.32Å; I603-F616 WeakPolarHBondContact CA-O 3.47Å; I603-Y617 HydrophobicContact CD1-CD1 4.05Å; I603-Y617 HydrophobicContact CD1-CE1 3.55Å; I603-Y617 HydrophobicContact CG1-CD1 3.81Å; I603-Y617 HydrophobicContact CG1-CE1 3.8Å; I603-T945 HydrophobicContact CB-CG2 4.03Å; I603-T945 HydrophobicContact CG1-CG2 4.4Å; I603-L948 HydrophobicContact CD1-CD1 3.97Å
604	N	57.1	Low	51.4	Low	40 Å²	40	61.4 Å²	61.4	21%	0.214	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.1	175.8	-78.1	-19.1	0	0	0	110.9	I553 M557 L602 F616	I553-N604 WeakPolarHBondContact CG2-ND2 3.05Å; M557-N604 HydrophobicContact CE-CB 4.2Å; M557-N604 HydrophobicContact SD-CB 4.4Å; L602-N604 WeakPolarHBondContact CD2-ND2 3.48Å; N604-F616 HydrophobicContact CB-CB 4.26Å; N604-F616 PolarHBondContact N-O 3.49Å; N604-F616 PolarHBondContact O-N 3.38Å
605	H	57.8	Low	53.1	Low	94 Å²	94	56.6 Å²	56.6	44%	0.435	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	129.1	168	-65.2	-74.7	0	0	0	109.7
606	C	62.4	Low	55.1	Low	27 Å²	27	52.6 Å²	52.6	18%	0.182	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	168	172.7	65.8	0	0	0	0	110.5	M557 M614 F616	M557-C606 HydrophobicContact SD-CB 3.95Å; C606-M614 PolarHBondContact N-O 3.29Å; C606-M614 PolarHBondContact O-N 3.28Å; C606-F616 VanDerWaalsContact SG-CD2 3.57Å; C606-F616 WeakPolarHBondContact SG-CE2 3.48Å
607	S	60.4	Low	56.8	Low	77 Å²	77	49.3 Å²	49.3	54%	0.538	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.2	163.8	-59.1	0	0	0	0	107.9	F612	S607-F612 WeakPolarHBondContact CA-O 3.25Å
608	S	66.8	Low	58.4	Low	8 Å²	8	42.9 Å²	42.9	6%	0.056	24%	0.239	C	C	.	.			trans	-69.2	170.1	172.8	76.3	0	0	0	0	112.1	N610 G611 F612 M614 E839	S608-N610 PolarHBondContact O-N 3.2Å; S608-N610 PolarHBondContact OG-N 3.22Å; S608-G611 PolarHBondContact O-N 2.92Å; S608-G611 PolarHBondContact OG-N 3.11Å; S608-F612 PolarHBondContact N-O 3.1Å; S608-F612 WeakPolarHBondContact OG-CB 3.46Å; S608-F612 PolarHBondContact OG-N 2.88Å; S608-F612 VanDerWaalsContact OG-N 3.09Å; S608-M614 VanDerWaalsContact CB-CE 3.5Å; S608-E839 WeakPolarHBondContact CB-OE1 3.13Å; S608-E839 PolarHBondContact OG-OE1 2.86Å
609	P	63.7	Low	59.7	Low	92 Å²	92	38 Å²	38	60%	0.597	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-36.4	174.6	-28.3	36.9	0	0	0	113.8	W835	P609-W835 HydrophobicContact CG-CD2 4.21Å; P609-W835 HydrophobicContact CG-CG 4.14Å
610	N	62	Low	60.8	Low	122 Å²	122	38.9 Å²	38.9	65%	0.652	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	14.2	174.5	-68.7	-47.5	0	0	0	114.6	S608 F612 E839	S608-N610 PolarHBondContact O-N 3.2Å; S608-N610 PolarHBondContact OG-N 3.22Å; N610-F612 HydrophobicContact CB-CD2 4.31Å; N610-F612 HydrophobicContact CB-CE2 4.21Å; N610-E839 WeakPolarHBondContact CB-OE1 3.26Å; N610-E839 PolarHBondContact N-OE1 3.22Å; N610-E839 PolarHBondContact ND2-OE2 3.17Å
611	G	60.3	Low	61.4	Low	46 Å²	46	38.3 Å²	38.3	47%	0.474	22%	0.22	S	C	.	.			trans	88.5	4.9	168.6	0	0	0	0	0	116.8	S608 K613	S608-G611 PolarHBondContact O-N 2.92Å; S608-G611 PolarHBondContact OG-N 3.11Å; G611-K613 PolarHBondContact O-N 3.48Å
612	F	60.1	Low	61.3	Low	35 Å²	35	38.6 Å²	38.6	15%	0.154	22%	0.224	C	C	.	.			trans	-69.2	125.6	178	-68.2	-83.7	0	0	0	111.1	S607 S608 N610 M614 E839 I842 N843	S607-F612 WeakPolarHBondContact CA-O 3.25Å; S608-F612 PolarHBondContact N-O 3.1Å; S608-F612 WeakPolarHBondContact OG-CB 3.46Å; S608-F612 PolarHBondContact OG-N 2.88Å; S608-F612 VanDerWaalsContact OG-N 3.09Å; N610-F612 HydrophobicContact CB-CD2 4.31Å; N610-F612 HydrophobicContact CB-CE2 4.21Å; F612-M614 HydrophobicContact CB-CE 4.08Å; F612-M614 PolarHBondContact O-N 3.17Å; F612-E839 HydrophobicContact CD2-CG 4.18Å; F612-I842 HydrophobicContact CD1-CG2 3.9Å; F612-I842 HydrophobicContact CE1-CG2 4.22Å; F612-I842 HydrophobicContact CG-CG2 4.43Å; F612-N843 WeakPolarHBondContact CZ-OD1 3.33Å
613	K	61.1	Low	60.9	Low	95 Å²	95	43.6 Å²	43.6	41%	0.413	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	125.5	177.4	-69.1	173	-175.5	160.2	0	110.8	P536 T537 G611	P536-K613 VanDerWaalsContact CA-O 3.32Å; P536-K613 WeakPolarHBondContact CA-O 3.32Å; P536-K613 HydrophobicContact CB-CB 4.26Å; T537-K613 PolarHBondContact N-O 3.05Å; T537-K613 VanDerWaalsContact N-O 3.08Å; G611-K613 PolarHBondContact O-N 3.48Å
614	M	66.2	Low	59.9	Low	2 Å²	2	48.1 Å²	48.1	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.6	-178.4	-61.6	174.8	-170.9	0	0	111.8	T537 I539 C606 S608 F612 F616 W835 I838 E839 I842	T537-M614 WeakPolarHBondContact O-CA 3.42Å; I539-M614 HydrophobicContact CD1-CB 4.23Å; I539-M614 HydrophobicContact CD1-CG 4.02Å; I539-M614 HydrophobicContact CD1-SD 3.5Å; I539-M614 VanDerWaalsContact CD1-SD 3.5Å; C606-M614 PolarHBondContact N-O 3.29Å; C606-M614 PolarHBondContact O-N 3.28Å; S608-M614 VanDerWaalsContact CB-CE 3.5Å; F612-M614 HydrophobicContact CB-CE 4.08Å; F612-M614 PolarHBondContact O-N 3.17Å; M614-F616 HydrophobicContact SD-CE2 4.36Å; M614-F616 HydrophobicContact SD-CZ 4.49Å; M614-W835 HydrophobicContact CE-CE3 4.5Å; M614-W835 HydrophobicContact CE-CZ3 3.82Å; M614-W835 HydrophobicContact SD-CH2 4.22Å; M614-W835 HydrophobicContact SD-CZ3 3.64Å; M614-I838 HydrophobicContact CE-CG2 3.86Å; M614-I838 HydrophobicContact SD-CG2 4.27Å; M614-E839 HydrophobicContact CE-CG 4.5Å; M614-I842 HydrophobicContact CE-CD1 3.48Å; M614-I842 VanDerWaalsContact CE-CD1 3.48Å; M614-I842 HydrophobicContact CG-CD1 4.44Å; M614-I842 HydrophobicContact SD-CD1 4.41Å
615	I	65.4	Low	58.5	Low	10 Å²	10	49.7 Å²	49.7	5%	0.051	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	105.2	172.5	-47.4	179.4	0	0	0	107.3	P536 T537 I539 I603 Y617	P536-I615 HydrophobicContact CB-CD1 4.09Å; P536-I615 HydrophobicContact CB-CG1 4.09Å; P536-I615 HydrophobicContact CG-CD1 4.14Å; T537-I615 PolarHBondContact O-N 2.66Å; I539-I615 PolarHBondContact N-O 2.9Å; I603-I615 HydrophobicContact CG2-CG2 3.61Å; I615-Y617 HydrophobicContact CB-CE2 3.9Å; I615-Y617 HydrophobicContact CG2-CD2 4.12Å; I615-Y617 HydrophobicContact CG2-CE2 3.45Å; I615-Y617 VanDerWaalsContact CG2-CE2 3.45Å; I615-Y617 WeakPolarHBondContact O-CD2 3.41Å
616	F	69.7	Low	57	Low	4 Å²	4	51.5 Å²	51.5	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.9	173.7	-79.3	-79	0	0	0	110.3	I539 I541 L556 L602 I603 N604 C606 M614 W835	I539-F616 HydrophobicContact CB-CD1 3.82Å; I539-F616 HydrophobicContact CB-CE1 3.88Å; I539-F616 HydrophobicContact CD1-CE1 3.93Å; I539-F616 HydrophobicContact CD1-CE2 4.47Å; I539-F616 HydrophobicContact CD1-CZ 3.87Å; I539-F616 HydrophobicContact CG2-CD1 3.73Å; I539-F616 HydrophobicContact CG2-CE1 3.54Å; I539-F616 CarbonylContact O-C 3.5Å; I539-F616 WeakPolarHBondContact O-CA 3.44Å; I541-F616 HydrophobicContact CD1-CD1 3.59Å; I541-F616 HydrophobicContact CD1-CE1 3.88Å; I541-F616 HydrophobicContact CG1-CD1 4.14Å; I541-F616 HydrophobicContact CG1-CE1 4.48Å; L556-F616 HydrophobicContact CD1-CE1 4.07Å; L556-F616 HydrophobicContact CD1-CZ 3.94Å; L602-F616 VanDerWaalsContact O-O 3.12Å; I603-F616 VanDerWaalsContact CA-O 3.32Å; I603-F616 WeakPolarHBondContact CA-O 3.47Å; N604-F616 HydrophobicContact CB-CB 4.26Å; N604-F616 PolarHBondContact N-O 3.49Å; N604-F616 PolarHBondContact O-N 3.38Å; C606-F616 VanDerWaalsContact SG-CD2 3.57Å; C606-F616 WeakPolarHBondContact SG-CE2 3.48Å; M614-F616 HydrophobicContact SD-CE2 4.36Å; M614-F616 HydrophobicContact SD-CZ 4.49Å; F616-W835 HydrophobicContact CE2-CH2 4.33Å
617	Y	67.8	Low	55.3	Low	6 Å²	6	57.3 Å²	57.3	2%	0.024	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	110.6	172.8	-67.2	-93.4	0	0	0	109.2	K538 I539 F540 I541 I601 L602 I603 I615 I619 L648	K538-Y617 HydrophobicContact CB-CD2 4.31Å; K538-Y617 HydrophobicContact CB-CE2 3.89Å; K538-Y617 HydrophobicContact CD-CE2 4.2Å; K538-Y617 HydrophobicContact CG-CE2 3.87Å; I539-Y617 PolarHBondContact O-N 3.07Å; F540-Y617 WeakPolarHBondContact CA-O 3.26Å; F540-Y617 HydrophobicContact CD1-CD2 4.19Å; F540-Y617 AromaticContact CD1-CG 3.87Å; F540-Y617 HydrophobicContact CD1-CG 3.87Å; F540-Y617 VanDerWaalsContact CE1-CB 3.44Å; F540-Y617 AromaticContact CE1-CD1 3.92Å; F540-Y617 HydrophobicContact CE1-CD1 3.92Å; F540-Y617 AromaticContact CE1-CD2 3.74Å; F540-Y617 HydrophobicContact CE1-CD2 3.74Å; F540-Y617 HydrophobicContact CE1-CE2 4.44Å; F540-Y617 AromaticContact CE1-CG 3.43Å; F540-Y617 HydrophobicContact CE1-CG 3.43Å; F540-Y617 VanDerWaalsContact CE1-CG 3.43Å; F540-Y617 HydrophobicContact CE2-CD2 4.27Å; F540-Y617 HydrophobicContact CZ-CD1 4.43Å; F540-Y617 AromaticContact CZ-CD2 3.78Å; F540-Y617 HydrophobicContact CZ-CD2 3.78Å; F540-Y617 HydrophobicContact CZ-CE2 4.13Å; F540-Y617 AromaticContact CZ-CG 3.94Å; F540-Y617 HydrophobicContact CZ-CG 3.94Å; I541-Y617 PolarHBondContact N-O 3.08Å; I601-Y617 HydrophobicContact CG2-CD1 4.06Å; L602-Y617 CarbonylContact O-C 3.56Å; L602-Y617 VanDerWaalsContact O-CA 3.26Å; L602-Y617 WeakPolarHBondContact O-CA 3.46Å; I603-Y617 HydrophobicContact CD1-CD1 4.05Å; I603-Y617 HydrophobicContact CD1-CE1 3.55Å; I603-Y617 HydrophobicContact CG1-CD1 3.81Å; I603-Y617 HydrophobicContact CG1-CE1 3.8Å; I615-Y617 HydrophobicContact CB-CE2 3.9Å; I615-Y617 HydrophobicContact CG2-CD2 4.12Å; I615-Y617 HydrophobicContact CG2-CE2 3.45Å; I615-Y617 VanDerWaalsContact CG2-CE2 3.45Å; I615-Y617 WeakPolarHBondContact O-CD2 3.41Å; Y617-I619 PolarHBondContact O-N 3.43Å; Y617-L648 HydrophobicContact CD1-CD1 4.21Å; Y617-L648 HydrophobicContact CE1-CD1 3.74Å
618	E	68.1	Low	53.6	Low	10 Å²	10	59.8 Å²	59.8	5%	0.047	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	108	171.3	-173	171.2	-172.4	0	0	109.5	K549 S550 I553 P600 I601 L602	K549-E618 HydrophobicContact CB-CG 4.1Å; K549-E618 WeakPolarHBondContact CB-OE1 3.3Å; K549-E618 HydrophobicContact CD-CG 4.32Å; S550-E618 PolarHBondContact N-OE1 2.89Å; S550-E618 PolarHBondContact OG-OE1 3.15Å; I553-E618 HydrophobicContact CD1-CB 3.75Å; I553-E618 HydrophobicContact CD1-CG 3.97Å; I553-E618 WeakPolarHBondContact CD1-OE2 3.34Å; P600-E618 CarbonylContact C-O 3.38Å; P600-E618 VanDerWaalsContact C-O 3.29Å; P600-E618 VanDerWaalsContact O-O 3.08Å; I601-E618 WeakPolarHBondContact CA-O 3.34Å; I601-E618 PolarHBondContact N-O 3.41Å; L602-E618 HydrophobicContact CB-CB 3.71Å; L602-E618 PolarHBondContact N-O 2.92Å; L602-E618 PolarHBondContact O-N 3.08Å
619	I	64.7	Low	51.7	Low	2 Å²	2	68.5 Å²	68.5	1%	0.01	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.3	-179.1	-61.6	-170.9	0	0	0	112	F540 I541 I542 K549 P600 Y617 L621 L648 L649	F540-I619 HydrophobicContact CD1-CD1 3.49Å; F540-I619 VanDerWaalsContact CD1-CD1 3.49Å; F540-I619 HydrophobicContact CD1-CG1 4.12Å; F540-I619 HydrophobicContact CE1-CD1 3.62Å; I541-I619 PolarHBondContact O-N 3.21Å; I542-I619 HydrophobicContact CG1-CB 4.5Å; K549-I619 PolarHBondContact NZ-O 3.4Å; P600-I619 WeakPolarHBondContact O-CA 3.42Å; Y617-I619 PolarHBondContact O-N 3.43Å; I619-L621 HydrophobicContact CG2-CD2 3.9Å; I619-L621 HydrophobicContact CG2-CG 4.14Å; I619-L648 HydrophobicContact CD1-CD2 3.72Å; I619-L649 HydrophobicContact CD1-CD2 4.08Å
620	T	58.9	Low	49.8	Very low	59 Å²	59	68.6 Å²	68.6	36%	0.362	37%	0.374	S	S	.	.			trans	-107.3	107	163.6	-54.3	0	0	0	0	107.9	K549	K549-T620 PolarHBondContact NZ-OG1 2.87Å
621	L	59.3	Low	48	Very low	3 Å²	3	69 Å²	69	2%	0.016	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-74.4	132.1	173.5	-66.9	176.7	0	0	0	108.4	I542 I619 Q623 L645 K681	I542-L621 HydrophobicContact CG2-CD1 4.16Å; I619-L621 HydrophobicContact CG2-CD2 3.9Å; I619-L621 HydrophobicContact CG2-CG 4.14Å; L621-Q623 PolarHBondContact O-N 3.17Å; L621-L645 HydrophobicContact CD2-CD1 3.73Å; L621-L645 HydrophobicContact CD2-CD2 3.78Å; L621-L645 HydrophobicContact CD2-CG 4.45Å; L621-K681 HydrophobicContact CB-CD 4.09Å; L621-K681 HydrophobicContact CD1-CB 3.8Å; L621-K681 HydrophobicContact CD1-CD 4.25Å
622	P	47.6	Very low	46.2	Very low	24 Å²	24	70.8 Å²	70.8	16%	0.156	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-67.3	134.5	-178.1	29	-36.1	0	0	0	109.4	S639 F677 K681	P622-S639 WeakPolarHBondContact CB-OG 3.33Å; P622-S639 VanDerWaalsContact CG-OG 3.22Å; P622-S639 WeakPolarHBondContact CG-OG 3.45Å; P622-F677 VanDerWaalsContact O-CE1 3.32Å; P622-F677 WeakPolarHBondContact O-CE1 3.33Å; P622-F677 WeakPolarHBondContact O-CZ 3.22Å; P622-K681 PolarHBondContact O-NZ 3.16Å
623	Q	43.4	Very low	44.4	Very low	142 Å²	142	74.2 Å²	74.2	66%	0.664	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-65.4	144.8	-173.9	-70.7	175.5	-23.2	0	0	112.8	D544 L621	D544-Q623 PolarHBondContact OD1-NE2 2.99Å; L621-Q623 PolarHBondContact O-N 3.17Å
624	L	34.8	Very low	42.5	Very low	113 Å²	113	75.2 Å²	75.2	59%	0.592	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-79.7	132.2	159.7	-98.2	171.9	0	0	0	107.9	F677	L624-F677 HydrophobicContact CB-CD2 3.74Å; L624-F677 HydrophobicContact CB-CE2 3.46Å; L624-F677 VanDerWaalsContact CB-CE2 3.46Å; L624-F677 HydrophobicContact CB-CZ 4.13Å; L624-F677 HydrophobicContact CD1-CD2 3.84Å; L624-F677 HydrophobicContact CD1-CE2 3.58Å; L624-F677 HydrophobicContact CG-CD2 4.04Å; L624-F677 HydrophobicContact CG-CE2 3.46Å; L624-F677 VanDerWaalsContact CG-CE2 3.46Å; L624-F677 HydrophobicContact CG-CZ 4.28Å
625	C	28.4	Very low	40.5	Very low	73 Å²	73	79 Å²	79	49%	0.493	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-71.9	149.9	170.4	-61.5	0	0	0	0	111	L627 C635	C625-L627 PolarHBondContact O-N 3.07Å; C625-C635 HydrophobicContact CB-CB 4.38Å; C625-C635 WeakPolarHBondContact SG-CB 3.44Å
626	D	26.2	Very low	38.5	Very low	131 Å²	131	85.2 Å²	85.2	70%	0.701	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-55.2	130.4	-165.4	-62.1	-66.3	0	0	0	113.8	D628	D626-D628 PolarHBondContact O-N 3.17Å; D626-D628 VanDerWaalsContact O-N 3.13Å
627	L	26.4	Very low	36.7	Very low	149 Å²	149	92.4 Å²	92.4	78%	0.78	51%	0.507	S	S	*	.			trans	-83.5	47.1	168.3	-83.4	164.2	0	0	0	110.6	C625	C625-L627 PolarHBondContact O-N 3.07Å
628	D	25.3	Very low	35.2	Very low	129 Å²	129	98.8 Å²	98.8	69%	0.69	54%	0.537	S	S	*	.			trans	-107.4	138.1	173.2	-94.4	-39.5	0	0	0	112	D626 S630	D626-D628 PolarHBondContact O-N 3.17Å; D626-D628 VanDerWaalsContact O-N 3.13Å; D628-S630 PolarHBondContact O-N 3.33Å
629	H	26.6	Very low	34	Very low	192 Å²	192	99.2 Å²	99.2	89%	0.889	54%	0.541	S	S	*	.	S	Bend	trans	-76.7	82.1	-168.7	-76	-78.7	0	0	0	113
630	S	23.2	Very low	32.7	Very low	94 Å²	94	99.9 Å²	99.9	66%	0.657	55%	0.548	S	S	*	.			trans	172.8	154.7	136.4	54.6	0	0	0	0	113.1	D628	D628-S630 PolarHBondContact O-N 3.33Å
631	H	24	Very low	32.2	Very low	130 Å²	130	97.6 Å²	97.6	60%	0.602	53%	0.534	S	S	*	.			trans	65.2	85.8	172.9	-65.3	-91.9	0	0	0	116	K1028	H631-K1028 PolarHBondContact CE1-NZ 3.41Å; H631-K1028 VanDerWaalsContact CE1-NZ 3.27Å; H631-K1028 PolarHBondContact NE2-NZ 3.03Å
632	S	22	Very low	31.6	Very low	83 Å²	83	100.6 Å²	100.6	58%	0.58	55%	0.548	S	S	*	.				76.3	107.7	86.4	69.7	0	0	0	0	117
633	S	22.8	Very low	31.4	Very low	107 Å²	107	104.3 Å²	104.3	75%	0.748	57%	0.565	S	S	*	*			trans	65.3	48.9	143.4	62.3	0	0	0	0	120.1
634	L	22.5	Very low	31.8	Very low	116 Å²	116	98.8 Å²	98.8	61%	0.607	54%	0.54	S	S	*	.			trans	-149.6	166.5	160.1	-91.9	117.1	0	0	0	111.6	K1081	L634-K1081 HydrophobicContact CD2-CD 3.8Å; L634-K1081 HydrophobicContact CD2-CG 4.17Å
635	C	22.8	Very low	32.8	Very low	82 Å²	82	93.7 Å²	93.7	55%	0.554	51%	0.513	S	S	*	.			trans	73.1	56.8	171.8	-54.3	0	0	0	0	118.2	C625	C625-C635 HydrophobicContact CB-CB 4.38Å; C625-C635 WeakPolarHBondContact SG-CB 3.44Å
636	N	23.9	Very low	33.8	Very low	141 Å²	141	93.3 Å²	93.3	75%	0.754	51%	0.51	S	S	*	.			trans	-92.9	81.9	150.9	-78.2	-21	0	0	0	109.7
637	Q	31.5	Very low	35.1	Very low	155 Å²	155	93.3 Å²	93.3	72%	0.724	51%	0.506	S	S	*	.			trans	-117.9	73	166	-78.7	-169.1	-10.3	0	0	110.1	S639	Q637-S639 PolarHBondContact O-N 3.29Å
638	H	36.3	Very low	36.8	Very low	139 Å²	139	87.1 Å²	87.1	64%	0.644	47%	0.473	S	S	*	.			trans	-66.6	98.1	164.8	-70.2	-84.7	0	0	0	108.7	G640 E642	H638-G640 PolarHBondContact O-N 3.38Å; H638-E642 IonicContact ND1-OE2 2.69Å; H638-E642 PolarHBondContact ND1-OE2 3.07Å
639	S	42.3	Very low	38.7	Very low	20 Å²	20	81.4 Å²	81.4	14%	0.14	44%	0.443	C	S	.	.			trans	-62	129.5	166.3	73.6	0	0	0	0	108	P622 Q637 L641 E642	P622-S639 WeakPolarHBondContact CB-OG 3.33Å; P622-S639 VanDerWaalsContact CG-OG 3.22Å; P622-S639 WeakPolarHBondContact CG-OG 3.45Å; Q637-S639 PolarHBondContact O-N 3.29Å; S639-L641 PolarHBondContact O-N 3.13Å; S639-E642 PolarHBondContact O-N 3.45Å
640	G	39.3	Very low	40.4	Very low	15 Å²	15	73.3 Å²	73.3	16%	0.155	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-61.1	-1.3	-177.4	0	0	0	0	0	115.5	H638 E642 L643	H638-G640 PolarHBondContact O-N 3.38Å; G640-E642 PolarHBondContact O-N 3.36Å; G640-E642 VanDerWaalsContact O-N 3.13Å; G640-L643 WeakPolarHBondContact O-CB 3.42Å; G640-L643 PolarHBondContact O-N 2.89Å
641	L	47	Very low	42.2	Very low	12 Å²	12	71.1 Å²	71.1	6%	0.063	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-48.1	-31.6	167.6	-63.8	174.9	0	0	0	113	P600 I601 S639 L643 I644 L645	P600-L641 HydrophobicContact CB-CD1 4.02Å; P600-L641 HydrophobicContact CG-CD1 4.23Å; P600-L641 HydrophobicContact CG-CD2 4.26Å; I601-L641 HydrophobicContact CD1-CD2 4.3Å; S639-L641 PolarHBondContact O-N 3.13Å; L641-L643 PolarHBondContact O-N 3.3Å; L641-I644 HydrophobicContact CD2-CD1 4.34Å; L641-I644 WeakPolarHBondContact O-CA 3.39Å; L641-I644 PolarHBondContact O-N 3.05Å; L641-L645 VanDerWaalsContact O-CG 3.31Å; L641-L645 WeakPolarHBondContact O-CG 3.29Å; L641-L645 PolarHBondContact O-N 3.42Å
642	E	46.5	Very low	44	Very low	66 Å²	66	69.9 Å²	69.9	31%	0.308	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-58.1	-21.4	177.9	-62.4	-173.6	158.7	0	0	113.7	H638 S639 G640 P646 K681	H638-E642 IonicContact ND1-OE2 2.69Å; H638-E642 PolarHBondContact ND1-OE2 3.07Å; S639-E642 PolarHBondContact O-N 3.45Å; G640-E642 PolarHBondContact O-N 3.36Å; G640-E642 VanDerWaalsContact O-N 3.13Å; E642-P646 WeakPolarHBondContact O-CD 3.28Å; E642-K681 IonicContact OE1-NZ 3.36Å
643	L	44.9	Very low	46.3	Very low	101 Å²	101	66.3 Å²	66.3	53%	0.529	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-81.4	-19.7	173.8	-60	166.9	0	0	0	113.3	G640 L641 H647 P1014	G640-L643 WeakPolarHBondContact O-CB 3.42Å; G640-L643 PolarHBondContact O-N 2.89Å; L641-L643 PolarHBondContact O-N 3.3Å; L643-H647 PolarHBondContact O-CD2 3.3Å; L643-P1014 HydrophobicContact CD1-CB 4.05Å; L643-P1014 HydrophobicContact CD1-CG 4.28Å
644	I	51.1	Low	48.9	Very low	27 Å²	27	62.4 Å²	62.4	14%	0.138	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-35.7	-173.7	-52	169.7	0	0	0	110.7	L641 P646 H647 L648 L948 I951 I955	L641-I644 HydrophobicContact CD2-CD1 4.34Å; L641-I644 WeakPolarHBondContact O-CA 3.39Å; L641-I644 PolarHBondContact O-N 3.05Å; I644-P646 VanDerWaalsContact C-CD 3.43Å; I644-P646 VanDerWaalsContact C-N 3.35Å; I644-H647 WeakPolarHBondContact O-CA 3.38Å; I644-H647 WeakPolarHBondContact O-CB 3.47Å; I644-H647 PolarHBondContact O-N 3.26Å; I644-L648 PolarHBondContact O-N 2.83Å; I644-L648 VanDerWaalsContact O-N 3.15Å; I644-L948 HydrophobicContact CD1-CD2 4.38Å; I644-L948 HydrophobicContact CG2-CD2 3.64Å; I644-I951 HydrophobicContact CD1-CB 4.45Å; I644-I951 HydrophobicContact CD1-CD1 4.28Å; I644-I951 HydrophobicContact CD1-CG2 3.53Å; I644-I955 HydrophobicContact CD1-CD1 4.43Å
645	L	55.2	Low	51.5	Low	5 Å²	5	56.9 Å²	56.9	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-51.6	-41.5	-177.3	-70.3	170.7	0	0	0	114	L621 L641 H647 L648 L649 Y685	L621-L645 HydrophobicContact CD2-CD1 3.73Å; L621-L645 HydrophobicContact CD2-CD2 3.78Å; L621-L645 HydrophobicContact CD2-CG 4.45Å; L641-L645 VanDerWaalsContact O-CG 3.31Å; L641-L645 WeakPolarHBondContact O-CG 3.29Å; L641-L645 PolarHBondContact O-N 3.42Å; L645-H647 PolarHBondContact O-N 3.05Å; L645-L648 PolarHBondContact O-N 3.33Å; L645-L649 HydrophobicContact CB-CD1 4.23Å; L645-L649 HydrophobicContact CD2-CD1 3.81Å; L645-L649 HydrophobicContact CD2-CG 4.12Å; L645-L649 WeakPolarHBondContact O-CB 3.37Å; L645-L649 PolarHBondContact O-N 3.28Å; L645-Y685 HydrophobicContact CB-CD1 3.88Å; L645-Y685 HydrophobicContact CB-CD2 4.2Å; L645-Y685 HydrophobicContact CB-CE1 3.92Å; L645-Y685 HydrophobicContact CB-CE2 4.25Å; L645-Y685 HydrophobicContact CB-CG 4.04Å; L645-Y685 HydrophobicContact CD1-CD2 4.13Å; L645-Y685 HydrophobicContact CD1-CE2 3.67Å
646	P	51.1	Low	54.4	Low	66 Å²	66	53.1 Å²	53.1	43%	0.429	28%	0.278	S	S	.	.	H	α-helix	trans	-65.1	-17.7	175.9	-20.8	33	0	0	0	115.2	E642 I644 Y685	E642-P646 WeakPolarHBondContact O-CD 3.28Å; I644-P646 VanDerWaalsContact C-CD 3.43Å; I644-P646 VanDerWaalsContact C-N 3.35Å; P646-Y685 HydrophobicContact CG-CD1 3.95Å; P646-Y685 HydrophobicContact CG-CE1 3.95Å
647	H	52.5	Low	57.2	Low	131 Å²	131	46.5 Å²	46.5	61%	0.606	24%	0.243	S	C	*	.	H	α-helix	trans	-98.8	-15.8	178	-62.3	-71.5	0	0	0	112.9	L643 I644 L645	L643-H647 PolarHBondContact O-CD2 3.3Å; I644-H647 WeakPolarHBondContact O-CA 3.38Å; I644-H647 WeakPolarHBondContact O-CB 3.47Å; I644-H647 PolarHBondContact O-N 3.26Å; L645-H647 PolarHBondContact O-N 3.05Å
648	L	61.4	Low	59.7	Low	18 Å²	18	39.3 Å²	39.3	9%	0.094	21%	0.21	C	C	.	.	H	α-helix	trans	-103.9	-42	-175.1	-169.3	67	0	0	0	112.6	F540 I601 Y617 I619 I644 L645 L948	F540-L648 HydrophobicContact CE1-CD2 4.34Å; F540-L648 HydrophobicContact CE1-CG 4.06Å; F540-L648 HydrophobicContact CZ-CG 4.27Å; F540-L648 WeakPolarHBondContact CZ-O 3.29Å; I601-L648 HydrophobicContact CD1-CD2 3.85Å; I601-L648 HydrophobicContact CG1-CD2 4.47Å; I601-L648 HydrophobicContact CG2-CD2 4.38Å; Y617-L648 HydrophobicContact CD1-CD1 4.21Å; Y617-L648 HydrophobicContact CE1-CD1 3.74Å; I619-L648 HydrophobicContact CD1-CD2 3.72Å; I644-L648 PolarHBondContact O-N 2.83Å; I644-L648 VanDerWaalsContact O-N 3.15Å; L645-L648 PolarHBondContact O-N 3.33Å; L648-L948 HydrophobicContact CD1-CD1 4.35Å
649	L	64.9	Low	61.5	Low	9 Å²	9	33.2 Å²	33.2	5%	0.047	18%	0.181	C	C	.	.			trans	-85.3	135.2	-178.2	-57.7	-177.5	0	0	0	110.6	F540 I619 L645 Y655 Y685 A686	F540-L649 HydrophobicContact CD1-CD2 3.8Å; F540-L649 HydrophobicContact CD2-CD2 4.46Å; F540-L649 HydrophobicContact CE1-CD2 3.7Å; F540-L649 HydrophobicContact CE2-CD2 4.36Å; F540-L649 HydrophobicContact CG-CD2 4.21Å; F540-L649 HydrophobicContact CZ-CD2 4Å; I619-L649 HydrophobicContact CD1-CD2 4.08Å; L645-L649 HydrophobicContact CB-CD1 4.23Å; L645-L649 HydrophobicContact CD2-CD1 3.81Å; L645-L649 HydrophobicContact CD2-CG 4.12Å; L645-L649 WeakPolarHBondContact O-CB 3.37Å; L645-L649 PolarHBondContact O-N 3.28Å; L649-Y655 HydrophobicContact CD2-CE1 3.99Å; L649-Y685 HydrophobicContact CD1-CD2 4.2Å; L649-Y685 HydrophobicContact CD1-CG 4.09Å; L649-A686 HydrophobicContact CB-CB 4.2Å
650	D	64.4	Low	63.1	Low	23 Å²	23	33.4 Å²	33.4	12%	0.123	18%	0.181	C	C	.	.			trans	-145.5	154.8	175.7	70.6	55.5	0	0	0	111.9	K538 N652 S653 Y655	K538-D650 IonicContact NZ-OD2 3.22Å; K538-D650 PolarHBondContact NZ-OD2 3.24Å; D650-N652 PolarHBondContact O-N 3.34Å; D650-N652 VanDerWaalsContact O-N 3.14Å; D650-N652 WeakPolarHBondContact OD1-CA 3.43Å; D650-N652 WeakPolarHBondContact OD1-CB 3.43Å; D650-N652 PolarHBondContact OD1-N 2.98Å; D650-S653 VanDerWaalsContact CG-OG 3.24Å; D650-S653 WeakPolarHBondContact O-CB 3.43Å; D650-S653 PolarHBondContact O-N 2.76Å; D650-S653 PolarHBondContact O-OG 3.14Å; D650-S653 PolarHBondContact OD1-N 3.37Å; D650-S653 VanDerWaalsContact OD1-N 3.14Å; D650-S653 PolarHBondContact OD1-OG 3.17Å; D650-Y655 PolarHBondContact N-OH 3.5Å; D650-Y655 PolarHBondContact O-OH 3.32Å
651	S	60.5	Low	64.5	Low	47 Å²	47	32.9 Å²	32.9	33%	0.329	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-7	-177.3	58.8	0	0	0	0	114.6	P687	S651-P687 VanDerWaalsContact CB-O 3.32Å; S651-P687 WeakPolarHBondContact CB-O 3.35Å
652	N	61.4	Low	65.5	Low	104 Å²	104	33.5 Å²	33.5	56%	0.556	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	5.8	178.6	-62.2	-45.2	0	0	0	112.1	D650	D650-N652 PolarHBondContact O-N 3.34Å; D650-N652 VanDerWaalsContact O-N 3.14Å; D650-N652 WeakPolarHBondContact OD1-CA 3.43Å; D650-N652 WeakPolarHBondContact OD1-CB 3.43Å; D650-N652 PolarHBondContact OD1-N 2.98Å
653	S	70.3	Confident	66.3	Low	8 Å²	8	33.7 Å²	33.7	6%	0.056	18%	0.18	C	C	.	.	S	Bend	trans	-98.9	151.3	-179.2	-58.2	0	0	0	0	111.3	K538 F540 D650 Y655	K538-S653 WeakPolarHBondContact CB-OG 3.45Å; F540-S653 WeakPolarHBondContact CE2-OG 3.25Å; D650-S653 VanDerWaalsContact CG-OG 3.24Å; D650-S653 WeakPolarHBondContact O-CB 3.43Å; D650-S653 PolarHBondContact O-N 2.76Å; D650-S653 PolarHBondContact O-OG 3.14Å; D650-S653 PolarHBondContact OD1-N 3.37Å; D650-S653 VanDerWaalsContact OD1-N 3.14Å; D650-S653 PolarHBondContact OD1-OG 3.17Å; S653-Y655 VanDerWaalsContact O-CD2 3.29Å; S653-Y655 WeakPolarHBondContact O-CD2 3.3Å; S653-Y655 WeakPolarHBondContact O-CE2 3.39Å
654	F	76.4	Confident	67.3	Low	25 Å²	25	29.1 Å²	29.1	11%	0.11	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.8	178	-172.7	-113.4	0	0	0	110.6	K538 I539 F540 I656 I690 K692 I838 R841	K538-F654 PolarHBondContact O-N 3.37Å; I539-F654 CarbonylContact C-O 3.17Å; I539-F654 WeakPolarHBondContact CA-O 3.33Å; I539-F654 HydrophobicContact CG1-CB 4.38Å; I539-F654 HydrophobicContact CG2-CD1 4.2Å; F540-F654 PolarHBondContact N-O 3.04Å; F654-I656 HydrophobicContact CD1-CD1 4.3Å; F654-I656 HydrophobicContact CD1-CG1 3.95Å; F654-I656 HydrophobicContact CE1-CD1 4.01Å; F654-I656 HydrophobicContact CE1-CG1 3.65Å; F654-I690 HydrophobicContact CE2-CG2 4.46Å; F654-K692 HydrophobicContact CZ-CB 3.97Å; F654-I838 HydrophobicContact CE1-CG1 4.27Å; F654-R841 HydrophobicContact CE2-CB 4.41Å; F654-R841 HydrophobicContact CE2-CG 4.39Å
655	Y	79	Confident	67.7	Low	1 Å²	1	30.7 Å²	30.7	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.6	-174.3	-69.6	-83.8	0	0	0	111.4	F540 I542 L649 D650 S653 L682 A686 S689 I690 I691 K692	F540-Y655 HydrophobicContact CB-CD1 3.48Å; F540-Y655 VanDerWaalsContact CB-CD1 3.48Å; F540-Y655 HydrophobicContact CB-CE1 3.52Å; F540-Y655 HydrophobicContact CB-CG 4.44Å; F540-Y655 HydrophobicContact CD2-CD1 4.18Å; F540-Y655 AromaticContact CD2-CE1 3.5Å; F540-Y655 HydrophobicContact CD2-CE1 3.5Å; F540-Y655 AromaticContact CD2-CZ 3.73Å; F540-Y655 HydrophobicContact CE2-CE1 4.39Å; F540-Y655 HydrophobicContact CG-CD1 4.09Å; F540-Y655 AromaticContact CG-CE1 3.59Å; F540-Y655 HydrophobicContact CG-CE1 3.59Å; I542-Y655 HydrophobicContact CD1-CD1 3.7Å; I542-Y655 HydrophobicContact CD1-CE1 4.12Å; L649-Y655 HydrophobicContact CD2-CE1 3.99Å; D650-Y655 PolarHBondContact N-OH 3.5Å; D650-Y655 PolarHBondContact O-OH 3.32Å; S653-Y655 VanDerWaalsContact O-CD2 3.29Å; S653-Y655 WeakPolarHBondContact O-CD2 3.3Å; S653-Y655 WeakPolarHBondContact O-CE2 3.39Å; Y655-L682 HydrophobicContact CD1-CD1 4.24Å; Y655-L682 HydrophobicContact CD1-CD2 3.48Å; Y655-L682 VanDerWaalsContact CD1-CD2 3.48Å; Y655-L682 HydrophobicContact CE1-CD2 3.38Å; Y655-L682 HydrophobicContact CG-CD1 4.48Å; Y655-L682 HydrophobicContact CG-CD2 4.17Å; Y655-A686 HydrophobicContact CE2-CB 4.17Å; Y655-A686 WeakPolarHBondContact OH-CB 3.47Å; Y655-S689 VanDerWaalsContact CE2-OG 3.29Å; Y655-S689 WeakPolarHBondContact CE2-OG 3.37Å; Y655-I690 PolarHBondContact N-O 3.46Å; Y655-I691 CarbonylContact O-C 3.6Å; Y655-I691 WeakPolarHBondContact O-CA 3.27Å; Y655-K692 PolarHBondContact O-N 3.46Å
656	I	83.9	Confident	67.9	Low	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.8	174.8	-56.8	176.6	0	0	0	107.4	I539 F540 I541 I542 F654 L658 L694 I838	I539-I656 HydrophobicContact CG2-CD1 3.79Å; I539-I656 HydrophobicContact CG2-CG1 4.22Å; F540-I656 PolarHBondContact O-N 2.84Å; I541-I656 HydrophobicContact CG1-CB 4.41Å; I541-I656 HydrophobicContact CG1-CD1 4.47Å; I542-I656 PolarHBondContact N-O 3.4Å; F654-I656 HydrophobicContact CD1-CD1 4.3Å; F654-I656 HydrophobicContact CD1-CG1 3.95Å; F654-I656 HydrophobicContact CE1-CD1 4.01Å; F654-I656 HydrophobicContact CE1-CG1 3.65Å; I656-L658 HydrophobicContact CG2-CD2 3.65Å; I656-L694 HydrophobicContact CG2-CB 4.46Å; I656-I838 HydrophobicContact CD1-CD1 4.27Å
657	L	82.2	Confident	68.6	Low	2 Å²	2	38.1 Å²	38.1	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111.6	178.2	179.4	57.9	0	0	0	109.7	I542 I675 H678 L679 I691 K692 L693 L694	I542-L657 HydrophobicContact CB-CD1 4.27Å; I542-L657 HydrophobicContact CG2-CD1 3.88Å; I542-L657 WeakPolarHBondContact O-CA 3.43Å; L657-I675 HydrophobicContact CD2-CG2 4.13Å; L657-H678 HydrophobicContact CD1-CB 3.71Å; L657-H678 HydrophobicContact CD2-CB 4.05Å; L657-L679 HydrophobicContact CD2-CD2 4.33Å; L657-L679 HydrophobicContact CD2-CG 4.4Å; L657-I691 HydrophobicContact CB-CG2 3.9Å; L657-K692 PolarHBondContact N-O 3.14Å; L657-L693 HydrophobicContact CB-CD2 4.16Å; L657-L693 HydrophobicContact CD2-CD2 3.85Å; L657-L693 HydrophobicContact CG-CD2 4.07Å; L657-L694 PolarHBondContact O-N 3.42Å
658	L	82.8	Confident	68.8	Low	5 Å²	5	34.9 Å²	34.9	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	138.9	-179.4	-56.1	-166	0	0	0	111.8	I541 I542 S547 K549 L552 I656 L694 T696	I541-L658 HydrophobicContact CG2-CD1 3.93Å; I541-L658 HydrophobicContact CG2-CG 4.15Å; I542-L658 PolarHBondContact O-N 3.49Å; S547-L658 WeakPolarHBondContact CB-O 3.44Å; K549-L658 HydrophobicContact CB-CD1 4.27Å; K549-L658 HydrophobicContact CG-CD1 3.84Å; K549-L658 HydrophobicContact CG-CG 4.47Å; L552-L658 HydrophobicContact CB-CD1 4.38Å; L552-L658 HydrophobicContact CD2-CD1 3.87Å; L552-L658 HydrophobicContact CD2-CD2 3.87Å; L552-L658 HydrophobicContact CD2-CG 4.47Å; I656-L658 HydrophobicContact CG2-CD2 3.65Å; L658-L694 WeakPolarHBondContact CA-O 3.32Å; L658-L694 HydrophobicContact CD2-CB 3.81Å; L658-L694 HydrophobicContact CD2-CD2 3.61Å; L658-L694 HydrophobicContact CD2-CG 4.28Å; L658-T696 HydrophobicContact CD1-CG2 4.34Å; L658-T696 HydrophobicContact CD2-CG2 4.49Å
659	F	75.8	Confident	68.7	Low	11 Å²	11	39.4 Å²	39.4	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.4	167.3	66.6	-85.4	0	0	0	110.1	F664 T671 I675 L693 L694 G695 T696 I795 F797	F659-F664 HydrophobicContact CD2-CB 4.25Å; F659-F664 HydrophobicContact CD2-CD2 4.05Å; F659-F664 HydrophobicContact CD2-CG 4.41Å; F659-F664 HydrophobicContact CE2-CB 4.49Å; F659-F664 HydrophobicContact CE2-CD2 4.21Å; F659-F664 HydrophobicContact CE2-CG 4.41Å; F659-T671 HydrophobicContact CB-CG2 4.19Å; F659-I675 HydrophobicContact CB-CD1 4.26Å; F659-I675 HydrophobicContact CD1-CD1 4.29Å; F659-I675 HydrophobicContact CG-CD1 4.22Å; F659-L693 HydrophobicContact CE1-CB 4.5Å; F659-L694 PolarHBondContact N-O 3.34Å; F659-L694 VanDerWaalsContact N-O 3.14Å; F659-G695 WeakPolarHBondContact O-CA 3.49Å; F659-T696 PolarHBondContact O-N 3.24Å; F659-T696 PolarHBondContact O-OG1 2.65Å; F659-I795 HydrophobicContact CE1-CG2 3.95Å; F659-I795 HydrophobicContact CZ-CG2 3.84Å; F659-F797 HydrophobicContact CE2-CE1 4.29Å; F659-F797 HydrophobicContact CZ-CE1 4.07Å
660	N	74.1	Confident	68.6	Low	23 Å²	23	45.1 Å²	45.1	12%	0.123	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.6	178.7	-176.7	-49.4	0	0	0	109.4	F546 N662 L663 F664	F546-N660 WeakPolarHBondContact O-CB 3.49Å; F546-N660 PolarHBondContact O-ND2 2.92Å; N660-N662 WeakPolarHBondContact OD1-CB 3.34Å; N660-N662 PolarHBondContact OD1-N 3.3Å; N660-L663 HydrophobicContact CB-CB 4.12Å; N660-L663 HydrophobicContact CB-CD1 3.97Å; N660-L663 HydrophobicContact CB-CG 4.18Å; N660-L663 PolarHBondContact O-N 3.29Å; N660-L663 PolarHBondContact OD1-N 3.29Å; N660-F664 WeakPolarHBondContact O-CB 3.47Å; N660-F664 PolarHBondContact O-N 2.98Å
661	T	70	Confident	68.5	Low	4 Å²	4	44.7 Å²	44.7	3%	0.025	23%	0.225	C	C	.	.	H	α-helix	trans	-71.2	-32.4	-172.9	-46.8	0	0	0	0	112.3	F664 I665 T696 I701 F797	T661-F664 PolarHBondContact O-N 3.39Å; T661-I665 HydrophobicContact CG2-CD1 4.47Å; T661-I665 WeakPolarHBondContact O-CG1 3.47Å; T661-I665 PolarHBondContact O-N 2.89Å; T661-T696 VanDerWaalsContact CB-O 3.27Å; T661-T696 WeakPolarHBondContact CB-O 3.36Å; T661-T696 PolarHBondContact N-O 2.97Å; T661-T696 PolarHBondContact OG1-O 3.44Å; T661-I701 HydrophobicContact CG2-CD1 3.8Å; T661-F797 HydrophobicContact CG2-CD1 4.19Å; T661-F797 HydrophobicContact CG2-CE1 3.97Å
662	N	66.6	Low	68.7	Low	26 Å²	26	43.1 Å²	43.1	14%	0.139	21%	0.214	C	C	.	.	H	α-helix	trans	-68.1	-47.6	175.2	-64.4	-17.7	0	0	0	110.8	N660 F664 I665 E666 H697 Q700	N660-N662 WeakPolarHBondContact OD1-CB 3.34Å; N660-N662 PolarHBondContact OD1-N 3.3Å; N662-F664 VanDerWaalsContact C-N 3.26Å; N662-F664 PolarHBondContact O-N 3.42Å; N662-I665 PolarHBondContact O-N 3.24Å; N662-E666 PolarHBondContact O-N 3.26Å; N662-H697 PolarHBondContact OD1-O 2.89Å; N662-Q700 PolarHBondContact ND2-OE1 3.37Å
663	L	64.7	Low	68.7	Low	69 Å²	69	41.4 Å²	41.4	36%	0.361	21%	0.205	S	C	.	.	H	α-helix	trans	-63.5	-31.1	176.1	-68.1	175.7	0	0	0	112.6	F546 N660 I665 N667 T671	F546-L663 HydrophobicContact CB-CD1 3.98Å; N660-L663 HydrophobicContact CB-CB 4.12Å; N660-L663 HydrophobicContact CB-CD1 3.97Å; N660-L663 HydrophobicContact CB-CG 4.18Å; N660-L663 PolarHBondContact O-N 3.29Å; N660-L663 PolarHBondContact OD1-N 3.29Å; L663-I665 VanDerWaalsContact C-N 3.29Å; L663-I665 PolarHBondContact O-N 3.3Å; L663-N667 CarbonylContact O-C 3.59Å; L663-N667 PolarHBondContact O-N 2.99Å; L663-T671 PolarHBondContact O-OG1 3.3Å
664	F	64.9	Low	68.5	Low	6 Å²	6	41.9 Å²	41.9	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-34.4	173.2	-170.1	-81.5	0	0	0	112.5	F659 N660 T661 N662 F668 T671 V672 I675 L757 I761	F659-F664 HydrophobicContact CD2-CB 4.25Å; F659-F664 HydrophobicContact CD2-CD2 4.05Å; F659-F664 HydrophobicContact CD2-CG 4.41Å; F659-F664 HydrophobicContact CE2-CB 4.49Å; F659-F664 HydrophobicContact CE2-CD2 4.21Å; F659-F664 HydrophobicContact CE2-CG 4.41Å; N660-F664 WeakPolarHBondContact O-CB 3.47Å; N660-F664 PolarHBondContact O-N 2.98Å; T661-F664 PolarHBondContact O-N 3.39Å; N662-F664 VanDerWaalsContact C-N 3.26Å; N662-F664 PolarHBondContact O-N 3.42Å; F664-F668 HydrophobicContact CD1-CD2 4.22Å; F664-F668 AromaticContact CE1-CD2 3.43Å; F664-F668 HydrophobicContact CE1-CD2 3.43Å; F664-F668 VanDerWaalsContact CE1-CD2 3.43Å; F664-F668 AromaticContact CE1-CE2 3.56Å; F664-F668 HydrophobicContact CE1-CE2 3.56Å; F664-F668 HydrophobicContact CE2-CD2 4.44Å; F664-F668 HydrophobicContact CE2-CE2 4.44Å; F664-F668 AromaticContact CZ-CD2 3.56Å; F664-F668 HydrophobicContact CZ-CD2 3.56Å; F664-F668 AromaticContact CZ-CE2 3.38Å; F664-F668 HydrophobicContact CZ-CE2 3.38Å; F664-F668 HydrophobicContact CZ-CZ 4.41Å; F664-F668 VanDerWaalsContact O-CA 3.31Å; F664-F668 WeakPolarHBondContact O-CA 3.38Å; F664-F668 PolarHBondContact O-N 3.03Å; F664-T671 HydrophobicContact CB-CG2 4.14Å; F664-T671 HydrophobicContact CD2-CG2 3.61Å; F664-T671 HydrophobicContact CG-CG2 4.33Å; F664-V672 HydrophobicContact CE2-CG2 4.27Å; F664-I675 HydrophobicContact CE2-CD1 4.49Å; F664-L757 HydrophobicContact CD1-CD2 4.29Å; F664-L757 HydrophobicContact CE1-CD1 4.08Å; F664-L757 HydrophobicContact CE1-CD2 3.73Å; F664-L757 HydrophobicContact CE1-CG 4Å; F664-I761 HydrophobicContact CE1-CD1 4.26Å; F664-I761 HydrophobicContact CE2-CD1 3.96Å; F664-I761 HydrophobicContact CE2-CG1 4.26Å; F664-I761 HydrophobicContact CZ-CD1 3.52Å; F664-I761 HydrophobicContact CZ-CG1 3.76Å
665	I	60.5	Low	68.2	Low	60 Å²	60	41.1 Å²	41.1	31%	0.308	21%	0.205	S	C	.	.	H	α-helix	trans	-81.2	-38.9	178.8	-66.5	165.7	0	0	0	111	T661 N662 L663 I701	T661-I665 HydrophobicContact CG2-CD1 4.47Å; T661-I665 WeakPolarHBondContact O-CG1 3.47Å; T661-I665 PolarHBondContact O-N 2.89Å; N662-I665 PolarHBondContact O-N 3.24Å; L663-I665 VanDerWaalsContact C-N 3.29Å; L663-I665 PolarHBondContact O-N 3.3Å; I665-I701 HydrophobicContact CD1-CB 4.45Å; I665-I701 HydrophobicContact CD1-CD1 3.81Å; I665-I701 HydrophobicContact CD1-CG1 3.84Å; I665-I701 HydrophobicContact CD1-CG2 3.78Å
666	E	59.7	Low	67.5	Low	155 Å²	155	42 Å²	42	72%	0.724	21%	0.211	S	C	*	.	H	α-helix	trans	-73.7	-37.8	178.4	-69.3	-179.7	162.9	0	0	113.2	N662	N662-E666 PolarHBondContact O-N 3.26Å
667	N	65	Low	66.7	Low	71 Å²	71	42.9 Å²	42.9	38%	0.38	22%	0.215	S	C	.	.			trans	-142.6	75.7	-179.5	-160.7	-12.1	0	0	0	111.9	L663 Q669 Q670 T671	L663-N667 CarbonylContact O-C 3.59Å; L663-N667 PolarHBondContact O-N 2.99Å; N667-Q669 PolarHBondContact O-N 2.85Å; N667-Q670 HydrophobicContact CB-CB 4.19Å; N667-Q670 VanDerWaalsContact CG-CB 3.47Å; N667-Q670 WeakPolarHBondContact ND2-CB 3.4Å; N667-Q670 PolarHBondContact ND2-OE1 2.9Å; N667-Q670 PolarHBondContact O-N 3.34Å; N667-Q670 PolarHBondContact OD1-N 3.44Å; N667-T671 PolarHBondContact O-N 3.39Å; N667-T671 VanDerWaalsContact O-N 3.11Å; N667-T671 PolarHBondContact O-OG1 3.06Å
668	F	57.7	Low	66.1	Low	64 Å²	64	43 Å²	43	28%	0.281	22%	0.215	S	C	.	.	H	α-helix	trans	-51	-51.1	-179.9	-179.7	-93	0	0	0	112.9	F664 Q670 T671 V672 H760	F664-F668 HydrophobicContact CD1-CD2 4.22Å; F664-F668 AromaticContact CE1-CD2 3.43Å; F664-F668 HydrophobicContact CE1-CD2 3.43Å; F664-F668 VanDerWaalsContact CE1-CD2 3.43Å; F664-F668 AromaticContact CE1-CE2 3.56Å; F664-F668 HydrophobicContact CE1-CE2 3.56Å; F664-F668 HydrophobicContact CE2-CD2 4.44Å; F664-F668 HydrophobicContact CE2-CE2 4.44Å; F664-F668 AromaticContact CZ-CD2 3.56Å; F664-F668 HydrophobicContact CZ-CD2 3.56Å; F664-F668 AromaticContact CZ-CE2 3.38Å; F664-F668 HydrophobicContact CZ-CE2 3.38Å; F664-F668 HydrophobicContact CZ-CZ 4.41Å; F664-F668 VanDerWaalsContact O-CA 3.31Å; F664-F668 WeakPolarHBondContact O-CA 3.38Å; F664-F668 PolarHBondContact O-N 3.03Å; F668-Q670 PolarHBondContact O-N 3.39Å; F668-T671 PolarHBondContact O-N 3.24Å; F668-V672 HydrophobicContact CD1-CG2 4.22Å; F668-V672 HydrophobicContact CE1-CG2 3.89Å; F668-V672 HydrophobicContact CE2-CG2 4.32Å; F668-V672 HydrophobicContact CZ-CG2 3.94Å; F668-V672 WeakPolarHBondContact O-CG2 3.4Å; F668-V672 PolarHBondContact O-N 2.96Å; F668-H760 AromaticContact CZ-CD2 3.64Å; F668-H760 AromaticContact CZ-NE2 3.79Å
669	Q	57.4	Low	65.4	Low	113 Å²	113	43.6 Å²	43.6	53%	0.528	22%	0.218	S	C	.	.	H	α-helix	trans	-65.1	-42.4	-174.7	-171	62.9	35.8	0	0	111.9	N667 T671 V672 N673	N667-Q669 PolarHBondContact O-N 2.85Å; Q669-T671 PolarHBondContact O-N 2.92Å; Q669-V672 PolarHBondContact O-N 3.31Å; Q669-N673 PolarHBondContact NE2-OD1 2.97Å; Q669-N673 VanDerWaalsContact NE2-OD1 3.13Å; Q669-N673 WeakPolarHBondContact O-CB 3.31Å; Q669-N673 VanDerWaalsContact O-CG 3.24Å; Q669-N673 PolarHBondContact O-N 3.23Å; Q669-N673 PolarHBondContact O-OD1 3.14Å
670	Q	63.7	Low	64.8	Low	128 Å²	128	46.9 Å²	46.9	60%	0.598	24%	0.236	S	C	*	.	H	α-helix	trans	-64.3	-41.1	177.7	-171	177.3	22.6	0	0	111.5	N667 F668 N673 S674	N667-Q670 HydrophobicContact CB-CB 4.19Å; N667-Q670 VanDerWaalsContact CG-CB 3.47Å; N667-Q670 WeakPolarHBondContact ND2-CB 3.4Å; N667-Q670 PolarHBondContact ND2-OE1 2.9Å; N667-Q670 PolarHBondContact O-N 3.34Å; N667-Q670 PolarHBondContact OD1-N 3.44Å; F668-Q670 PolarHBondContact O-N 3.39Å; Q670-N673 PolarHBondContact O-N 2.63Å; Q670-S674 PolarHBondContact O-N 3.21Å
671	T	63.1	Low	64.4	Low	15 Å²	15	46.6 Å²	46.6	9%	0.092	23%	0.234	C	C	.	.	H	α-helix	trans	-70.8	-38.1	180	-48.2	0	0	0	0	111.8	F659 L663 F664 N667 F668 Q669 S674 I675	F659-T671 HydrophobicContact CB-CG2 4.19Å; L663-T671 PolarHBondContact O-OG1 3.3Å; F664-T671 HydrophobicContact CB-CG2 4.14Å; F664-T671 HydrophobicContact CD2-CG2 3.61Å; F664-T671 HydrophobicContact CG-CG2 4.33Å; N667-T671 PolarHBondContact O-N 3.39Å; N667-T671 VanDerWaalsContact O-N 3.11Å; N667-T671 PolarHBondContact O-OG1 3.06Å; F668-T671 PolarHBondContact O-N 3.24Å; Q669-T671 PolarHBondContact O-N 2.92Å; T671-S674 PolarHBondContact O-N 3.35Å; T671-I675 HydrophobicContact CG2-CD1 4.4Å; T671-I675 WeakPolarHBondContact O-CG1 3.37Å; T671-I675 PolarHBondContact O-N 3.02Å
672	V	64.1	Low	64.4	Low	14 Å²	14	46.4 Å²	46.4	9%	0.085	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-48.5	170.8	170	0	0	0	0	110.8	F664 F668 Q669 S674 I675 C676 T764	F664-V672 HydrophobicContact CE2-CG2 4.27Å; F668-V672 HydrophobicContact CD1-CG2 4.22Å; F668-V672 HydrophobicContact CE1-CG2 3.89Å; F668-V672 HydrophobicContact CE2-CG2 4.32Å; F668-V672 HydrophobicContact CZ-CG2 3.94Å; F668-V672 WeakPolarHBondContact O-CG2 3.4Å; F668-V672 PolarHBondContact O-N 2.96Å; Q669-V672 PolarHBondContact O-N 3.31Å; V672-S674 VanDerWaalsContact C-N 3.29Å; V672-S674 PolarHBondContact O-N 3.48Å; V672-I675 PolarHBondContact O-N 2.86Å; V672-C676 WeakPolarHBondContact O-CB 3.24Å; V672-C676 PolarHBondContact O-N 3.14Å; V672-C676 PolarHBondContact O-SG 3.17Å; V672-T764 HydrophobicContact CG1-CG2 3.97Å
673	N	61.5	Low	64.2	Low	68 Å²	68	47.5 Å²	47.5	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-55.8	-43.4	176.9	-75.5	-0.6	0	0	0	111.5	Q669 Q670 C676 F677	Q669-N673 PolarHBondContact NE2-OD1 2.97Å; Q669-N673 VanDerWaalsContact NE2-OD1 3.13Å; Q669-N673 WeakPolarHBondContact O-CB 3.31Å; Q669-N673 VanDerWaalsContact O-CG 3.24Å; Q669-N673 PolarHBondContact O-N 3.23Å; Q669-N673 PolarHBondContact O-OD1 3.14Å; Q670-N673 PolarHBondContact O-N 2.63Å; N673-C676 PolarHBondContact O-N 3.15Å; N673-F677 WeakPolarHBondContact O-CB 3.38Å; N673-F677 PolarHBondContact O-N 3.41Å
674	S	66.7	Low	63.9	Low	18 Å²	18	47 Å²	47	13%	0.126	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-45.8	176.2	179	0	0	0	0	113.4	D544 Q670 T671 V672 C676 F677 H678	D544-S674 VanDerWaalsContact CG-OG 3.31Å; D544-S674 PolarHBondContact OD1-OG 3.01Å; D544-S674 VanDerWaalsContact OD2-CB 3.29Å; D544-S674 WeakPolarHBondContact OD2-CB 3.42Å; D544-S674 PolarHBondContact OD2-OG 3.25Å; Q670-S674 PolarHBondContact O-N 3.21Å; T671-S674 PolarHBondContact O-N 3.35Å; V672-S674 VanDerWaalsContact C-N 3.29Å; V672-S674 PolarHBondContact O-N 3.48Å; S674-C676 VanDerWaalsContact C-N 3.27Å; S674-C676 PolarHBondContact O-N 3.42Å; S674-F677 WeakPolarHBondContact O-CB 3.48Å; S674-F677 PolarHBondContact O-N 2.84Å; S674-H678 PolarHBondContact O-N 3.45Å; S674-H678 PolarHBondContact O-ND1 2.83Å; S674-H678 PolarHBondContact OG-CE1 3.32Å; S674-H678 VanDerWaalsContact OG-CE1 3.29Å; S674-H678 PolarHBondContact OG-ND1 2.96Å
675	I	69.1	Low	63.7	Low	9 Å²	9	48.7 Å²	48.7	5%	0.046	24%	0.238	C	C	.	.	H	α-helix	trans	-57	-46.9	175.8	-71.4	166.5	0	0	0	109.6	L657 F659 F664 T671 V672 F677 H678 L679 L693	L657-I675 HydrophobicContact CD2-CG2 4.13Å; F659-I675 HydrophobicContact CB-CD1 4.26Å; F659-I675 HydrophobicContact CD1-CD1 4.29Å; F659-I675 HydrophobicContact CG-CD1 4.22Å; F664-I675 HydrophobicContact CE2-CD1 4.49Å; T671-I675 HydrophobicContact CG2-CD1 4.4Å; T671-I675 WeakPolarHBondContact O-CG1 3.37Å; T671-I675 PolarHBondContact O-N 3.02Å; V672-I675 PolarHBondContact O-N 2.86Å; I675-F677 VanDerWaalsContact C-N 3.31Å; I675-F677 PolarHBondContact O-N 3.28Å; I675-H678 PolarHBondContact O-N 3.49Å; I675-L679 HydrophobicContact CG2-CD1 4.01Å; I675-L679 HydrophobicContact CG2-CG 4.44Å; I675-L679 VanDerWaalsContact O-CG 3.27Å; I675-L679 WeakPolarHBondContact O-CG 3.49Å; I675-L679 PolarHBondContact O-N 3.27Å; I675-L693 HydrophobicContact CG2-CD2 4.19Å
676	C	64.3	Low	63.8	Low	19 Å²	19	45.9 Å²	45.9	13%	0.128	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-35.7	-179.6	-60.8	0	0	0	0	112.4	V672 N673 S674 L679 L680 L768	V672-C676 WeakPolarHBondContact O-CB 3.24Å; V672-C676 PolarHBondContact O-N 3.14Å; V672-C676 PolarHBondContact O-SG 3.17Å; N673-C676 PolarHBondContact O-N 3.15Å; S674-C676 VanDerWaalsContact C-N 3.27Å; S674-C676 PolarHBondContact O-N 3.42Å; C676-L679 PolarHBondContact O-N 3.03Å; C676-L680 WeakPolarHBondContact O-CG 3.32Å; C676-L680 PolarHBondContact O-N 3.35Å; C676-L768 HydrophobicContact CB-CD1 3.98Å; C676-L768 WeakPolarHBondContact SG-CD1 3.25Å
677	F	66.7	Low	63.8	Low	21 Å²	21	40.4 Å²	40.4	9%	0.092	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-47.3	173.7	173.4	-111.3	0	0	0	112.9	P622 L624 N673 S674 I675 L679 L680 K681	P622-F677 VanDerWaalsContact O-CE1 3.32Å; P622-F677 WeakPolarHBondContact O-CE1 3.33Å; P622-F677 WeakPolarHBondContact O-CZ 3.22Å; L624-F677 HydrophobicContact CB-CD2 3.74Å; L624-F677 HydrophobicContact CB-CE2 3.46Å; L624-F677 VanDerWaalsContact CB-CE2 3.46Å; L624-F677 HydrophobicContact CB-CZ 4.13Å; L624-F677 HydrophobicContact CD1-CD2 3.84Å; L624-F677 HydrophobicContact CD1-CE2 3.58Å; L624-F677 HydrophobicContact CG-CD2 4.04Å; L624-F677 HydrophobicContact CG-CE2 3.46Å; L624-F677 VanDerWaalsContact CG-CE2 3.46Å; L624-F677 HydrophobicContact CG-CZ 4.28Å; N673-F677 WeakPolarHBondContact O-CB 3.38Å; N673-F677 PolarHBondContact O-N 3.41Å; S674-F677 WeakPolarHBondContact O-CB 3.48Å; S674-F677 PolarHBondContact O-N 2.84Å; I675-F677 VanDerWaalsContact C-N 3.31Å; I675-F677 PolarHBondContact O-N 3.28Å; F677-L679 VanDerWaalsContact C-N 3.33Å; F677-L679 PolarHBondContact O-N 3.26Å; F677-L680 PolarHBondContact O-N 3.18Å; F677-K681 HydrophobicContact CE1-CD 4.07Å; F677-K681 HydrophobicContact CE2-CD 3.93Å; F677-K681 HydrophobicContact CE2-CG 4.02Å; F677-K681 HydrophobicContact CZ-CD 3.45Å; F677-K681 VanDerWaalsContact CZ-CD 3.45Å; F677-K681 HydrophobicContact CZ-CG 4.04Å; F677-K681 PolarHBondContact O-N 2.6Å; F677-K681 VanDerWaalsContact O-N 3.09Å
678	H	69.9	Low	63.6	Low	3 Å²	3	38.8 Å²	38.8	1%	0.014	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-39.6	176.3	-71	96.1	0	0	0	111.6	I542 D544 L657 S674 I675 K681 L682	I542-H678 HydrophobicContact CG2-CB 4.35Å; I542-H678 WeakPolarHBondContact CG2-CD2 3.36Å; D544-H678 IonicContact OD1-CE1 3.24Å; L657-H678 HydrophobicContact CD1-CB 3.71Å; L657-H678 HydrophobicContact CD2-CB 4.05Å; S674-H678 PolarHBondContact O-N 3.45Å; S674-H678 PolarHBondContact O-ND1 2.83Å; S674-H678 PolarHBondContact OG-CE1 3.32Å; S674-H678 VanDerWaalsContact OG-CE1 3.29Å; S674-H678 PolarHBondContact OG-ND1 2.96Å; I675-H678 PolarHBondContact O-N 3.49Å; H678-K681 PolarHBondContact O-N 3.37Å; H678-L682 WeakPolarHBondContact O-CG 3.18Å; H678-L682 PolarHBondContact O-N 2.71Å
679	L	69.1	Low	64	Low	19 Å²	19	35.7 Å²	35.7	10%	0.099	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-43.6	173.4	-67.1	174.7	0	0	0	112.3	L657 I675 C676 F677 K681 L682 R683 I691 I765 I789 V791	L657-L679 HydrophobicContact CD2-CD2 4.33Å; L657-L679 HydrophobicContact CD2-CG 4.4Å; I675-L679 HydrophobicContact CG2-CD1 4.01Å; I675-L679 HydrophobicContact CG2-CG 4.44Å; I675-L679 VanDerWaalsContact O-CG 3.27Å; I675-L679 WeakPolarHBondContact O-CG 3.49Å; I675-L679 PolarHBondContact O-N 3.27Å; C676-L679 PolarHBondContact O-N 3.03Å; F677-L679 VanDerWaalsContact C-N 3.33Å; F677-L679 PolarHBondContact O-N 3.26Å; L679-K681 PolarHBondContact O-N 3.44Å; L679-L682 PolarHBondContact O-N 3.48Å; L679-R683 PolarHBondContact O-N 3.02Å; L679-I691 HydrophobicContact CD2-CD1 3.43Å; L679-I691 VanDerWaalsContact CD2-CD1 3.43Å; L679-I765 HydrophobicContact CD1-CD1 4.29Å; L679-I765 HydrophobicContact CD1-CG1 4.08Å; L679-I765 HydrophobicContact CD1-CG2 4.25Å; L679-I789 HydrophobicContact CD2-CG2 4.3Å; L679-I789 WeakPolarHBondContact O-CD1 3.41Å; L679-V791 HydrophobicContact CD2-CG2 4.03Å
680	L	63.1	Low	64.5	Low	80 Å²	80	33 Å²	33	42%	0.419	18%	0.177	S	C	.	.	H	α-helix	trans	-60.6	-43	176.6	-78.8	165.8	0	0	0	112	C676 F677 R683 I684 T772	C676-L680 WeakPolarHBondContact O-CG 3.32Å; C676-L680 PolarHBondContact O-N 3.35Å; F677-L680 PolarHBondContact O-N 3.18Å; L680-R683 WeakPolarHBondContact O-CB 3.2Å; L680-R683 PolarHBondContact O-N 3.16Å; L680-I684 WeakPolarHBondContact O-CG1 3.35Å; L680-I684 PolarHBondContact O-N 2.72Å; L680-T772 HydrophobicContact CD2-CG2 4.14Å
681	K	64.8	Low	64.9	Low	16 Å²	16	27 Å²	27	7%	0.07	15%	0.149	C	C	.	.	H	α-helix	trans	-66.6	-40.9	176.4	-78.3	-163.7	160.7	-177.3	0	112.8	L621 P622 E642 F677 H678 L679 R683 I684 Y685	L621-K681 HydrophobicContact CB-CD 4.09Å; L621-K681 HydrophobicContact CD1-CB 3.8Å; L621-K681 HydrophobicContact CD1-CD 4.25Å; P622-K681 PolarHBondContact O-NZ 3.16Å; E642-K681 IonicContact OE1-NZ 3.36Å; F677-K681 HydrophobicContact CE1-CD 4.07Å; F677-K681 HydrophobicContact CE2-CD 3.93Å; F677-K681 HydrophobicContact CE2-CG 4.02Å; F677-K681 HydrophobicContact CZ-CD 3.45Å; F677-K681 VanDerWaalsContact CZ-CD 3.45Å; F677-K681 HydrophobicContact CZ-CG 4.04Å; F677-K681 PolarHBondContact O-N 2.6Å; F677-K681 VanDerWaalsContact O-N 3.09Å; H678-K681 PolarHBondContact O-N 3.37Å; L679-K681 PolarHBondContact O-N 3.44Å; K681-R683 PolarHBondContact O-N 3Å; K681-I684 PolarHBondContact O-N 2.88Å; K681-Y685 HydrophobicContact CB-CD2 4.36Å; K681-Y685 HydrophobicContact CB-CE2 4.41Å; K681-Y685 HydrophobicContact CG-CE2 4.47Å; K681-Y685 WeakPolarHBondContact O-CD2 3.48Å; K681-Y685 PolarHBondContact O-N 3.12Å
682	L	69.5	Low	65.6	Low	1 Å²	1	26.5 Å²	26.5	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-63.6	-30.7	173.9	-73.7	169.8	0	0	0	112.2	I542 Y655 H678 L679 A686 I691 I789	I542-L682 HydrophobicContact CD1-CD1 3.99Å; I542-L682 HydrophobicContact CD1-CD2 3.76Å; I542-L682 HydrophobicContact CD1-CG 4.21Å; Y655-L682 HydrophobicContact CD1-CD1 4.24Å; Y655-L682 HydrophobicContact CD1-CD2 3.48Å; Y655-L682 VanDerWaalsContact CD1-CD2 3.48Å; Y655-L682 HydrophobicContact CE1-CD2 3.38Å; Y655-L682 HydrophobicContact CG-CD1 4.48Å; Y655-L682 HydrophobicContact CG-CD2 4.17Å; H678-L682 WeakPolarHBondContact O-CG 3.18Å; H678-L682 PolarHBondContact O-N 2.71Å; L679-L682 PolarHBondContact O-N 3.48Å; L682-A686 CarbonylContact O-C 3.54Å; L682-A686 VanDerWaalsContact O-CA 3.29Å; L682-A686 WeakPolarHBondContact O-CA 3.28Å; L682-A686 PolarHBondContact O-N 3.44Å; L682-A686 VanDerWaalsContact O-O 3.13Å; L682-I691 HydrophobicContact CB-CD1 4.32Å; L682-I691 HydrophobicContact CD1-CD1 3.45Å; L682-I691 VanDerWaalsContact CD1-CD1 3.45Å; L682-I691 HydrophobicContact CD1-CG1 4.27Å; L682-I789 HydrophobicContact CB-CD1 4.07Å
683	R	62.3	Low	66.2	Low	49 Å²	49	26 Å²	26	19%	0.185	14%	0.142	C	C	.	.	H	α-helix	trans	-67	-39.6	175.9	-171.1	174.6	174	179.7	-3.6	112	L679 L680 K681 T772 E784 I789	L679-R683 PolarHBondContact O-N 3.02Å; L680-R683 WeakPolarHBondContact O-CB 3.2Å; L680-R683 PolarHBondContact O-N 3.16Å; K681-R683 PolarHBondContact O-N 3Å; R683-T772 PolarHBondContact NH1-OG1 3.44Å; R683-E784 PolarHBondContact NH2-O 3.48Å; R683-I789 HydrophobicContact CB-CD1 3.84Å; R683-I789 HydrophobicContact CB-CG1 4.4Å
684	I	58.6	Low	67.1	Low	58 Å²	58	22.7 Å²	22.7	30%	0.297	13%	0.125	S	C	.	.	H	α-helix	trans	-71.4	-45.2	179.2	-65.2	162.7	0	0	0	111.6	L680 K681	L680-I684 WeakPolarHBondContact O-CG1 3.35Å; L680-I684 PolarHBondContact O-N 2.72Å; K681-I684 PolarHBondContact O-N 2.88Å
685	Y	61	Low	67.4	Low	41 Å²	41	21.9 Å²	21.9	16%	0.161	12%	0.119	C	C	.	.	H	α-helix	trans	-95.5	-28.4	-172.5	-62	-65	0	0	0	114.5	L645 P646 L649 K681	L645-Y685 HydrophobicContact CB-CD1 3.88Å; L645-Y685 HydrophobicContact CB-CD2 4.2Å; L645-Y685 HydrophobicContact CB-CE1 3.92Å; L645-Y685 HydrophobicContact CB-CE2 4.25Å; L645-Y685 HydrophobicContact CB-CG 4.04Å; L645-Y685 HydrophobicContact CD1-CD2 4.13Å; L645-Y685 HydrophobicContact CD1-CE2 3.67Å; P646-Y685 HydrophobicContact CG-CD1 3.95Å; P646-Y685 HydrophobicContact CG-CE1 3.95Å; L649-Y685 HydrophobicContact CD1-CD2 4.2Å; L649-Y685 HydrophobicContact CD1-CG 4.09Å; K681-Y685 HydrophobicContact CB-CD2 4.36Å; K681-Y685 HydrophobicContact CB-CE2 4.41Å; K681-Y685 HydrophobicContact CG-CE2 4.47Å; K681-Y685 WeakPolarHBondContact O-CD2 3.48Å; K681-Y685 PolarHBondContact O-N 3.12Å
686	A	63	Low	67.7	Low	1 Å²	1	21.4 Å²	21.4	1%	0.008	12%	0.116	C	C	.	.	S	Bend	trans	-138.6	61.7	-178.7	0	0	0	0	0	111.7	L649 Y655 L682 G688 S689	L649-A686 HydrophobicContact CB-CB 4.2Å; Y655-A686 HydrophobicContact CE2-CB 4.17Å; Y655-A686 WeakPolarHBondContact OH-CB 3.47Å; L682-A686 CarbonylContact O-C 3.54Å; L682-A686 VanDerWaalsContact O-CA 3.29Å; L682-A686 WeakPolarHBondContact O-CA 3.28Å; L682-A686 PolarHBondContact O-N 3.44Å; L682-A686 VanDerWaalsContact O-O 3.13Å; A686-G688 PolarHBondContact O-N 3.3Å; A686-S689 VanDerWaalsContact CB-OG 3.28Å; A686-S689 WeakPolarHBondContact CB-OG 3.17Å; A686-S689 WeakPolarHBondContact O-CB 3.26Å; A686-S689 PolarHBondContact O-N 3.3Å; A686-S689 PolarHBondContact O-OG 3.42Å
687	P	59.5	Low	67.9	Low	41 Å²	41	22.9 Å²	22.9	27%	0.266	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	137.9	179.4	18.7	-30.9	0	0	0	112.9	S651 N787	S651-P687 VanDerWaalsContact CB-O 3.32Å; S651-P687 WeakPolarHBondContact CB-O 3.35Å; P687-N787 HydrophobicContact CB-CB 3.51Å; P687-N787 VanDerWaalsContact CB-ND2 3.3Å; P687-N787 WeakPolarHBondContact CB-ND2 3.3Å
688	G	60.3	Low	67.7	Low	36 Å²	36	22.5 Å²	22.5	37%	0.371	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-0	-180	0	0	0	0	0	115.7	A686	A686-G688 PolarHBondContact O-N 3.3Å
689	S	66.2	Low	67	Low	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.			trans	-62.1	151.9	-178.3	-64.1	0	0	0	0	114.6	Y655 A686 T790	Y655-S689 VanDerWaalsContact CE2-OG 3.29Å; Y655-S689 WeakPolarHBondContact CE2-OG 3.37Å; A686-S689 VanDerWaalsContact CB-OG 3.28Å; A686-S689 WeakPolarHBondContact CB-OG 3.17Å; A686-S689 WeakPolarHBondContact O-CB 3.26Å; A686-S689 PolarHBondContact O-N 3.3Å; A686-S689 PolarHBondContact O-OG 3.42Å; S689-T790 PolarHBondContact O-N 2.78Å
690	I	67.5	Low	66	Low	57 Å²	57	31.8 Å²	31.8	29%	0.292	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	130	172.6	-57.3	174	0	0	0	109.3	F654 Y655 T790 L792	F654-I690 HydrophobicContact CE2-CG2 4.46Å; Y655-I690 PolarHBondContact N-O 3.46Å; I690-T790 WeakPolarHBondContact CA-O 3.43Å; I690-L792 HydrophobicContact CG2-CD1 4.36Å; I690-L792 HydrophobicContact CG2-CD2 3.9Å; I690-L792 HydrophobicContact CG2-CG 4.05Å
691	I	73.1	Confident	65.3	Low	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.2	-176.9	-55	-178.8	0	0	0	111	Y655 L657 L679 L682 I789 T790 L792	Y655-I691 CarbonylContact O-C 3.6Å; Y655-I691 WeakPolarHBondContact O-CA 3.27Å; L657-I691 HydrophobicContact CB-CG2 3.9Å; L679-I691 HydrophobicContact CD2-CD1 3.43Å; L679-I691 VanDerWaalsContact CD2-CD1 3.43Å; L682-I691 HydrophobicContact CB-CD1 4.32Å; L682-I691 HydrophobicContact CD1-CD1 3.45Å; L682-I691 VanDerWaalsContact CD1-CD1 3.45Å; L682-I691 HydrophobicContact CD1-CG1 4.27Å; I691-I789 HydrophobicContact CD1-CD1 4.23Å; I691-I789 HydrophobicContact CD1-CG2 3.39Å; I691-I789 HydrophobicContact CG1-CG2 3.84Å; I691-T790 PolarHBondContact N-O 2.91Å; I691-L792 PolarHBondContact O-N 2.85Å
692	K	78.1	Confident	64.3	Low	5 Å²	5	32 Å²	32	2%	0.022	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.1	165.4	-179.1	72.4	-175.3	-167.9	0	109.4	F654 Y655 L657 L792 N794 S796 E837	F654-K692 HydrophobicContact CZ-CB 3.97Å; Y655-K692 PolarHBondContact O-N 3.46Å; L657-K692 PolarHBondContact N-O 3.14Å; K692-L792 HydrophobicContact CB-CD1 4.19Å; K692-L792 HydrophobicContact CD-CB 4.48Å; K692-L792 HydrophobicContact CD-CD1 3.97Å; K692-N794 PolarHBondContact NZ-O 3.25Å; K692-N794 VanDerWaalsContact NZ-O 3.07Å; K692-S796 VanDerWaalsContact CE-OG 3.26Å; K692-S796 WeakPolarHBondContact CE-OG 3.3Å; K692-S796 PolarHBondContact NZ-OG 3.44Å; K692-E837 WeakPolarHBondContact CE-OE2 3.48Å; K692-E837 VanDerWaalsContact NZ-CD 3.3Å; K692-E837 IonicContact NZ-OE1 2.68Å; K692-E837 PolarHBondContact NZ-OE1 3.39Å; K692-E837 IonicContact NZ-OE2 3.7Å; K692-E837 PolarHBondContact NZ-OE2 3.47Å
693	L	76.5	Confident	63	Low	3 Å²	3	33.1 Å²	33.1	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	132.7	167.5	-72.9	170.1	0	0	0	109.6	L657 F659 I675 I761 I765 V791 I795 S796	L657-L693 HydrophobicContact CB-CD2 4.16Å; L657-L693 HydrophobicContact CD2-CD2 3.85Å; L657-L693 HydrophobicContact CG-CD2 4.07Å; F659-L693 HydrophobicContact CE1-CB 4.5Å; I675-L693 HydrophobicContact CG2-CD2 4.19Å; L693-I761 HydrophobicContact CD1-CG2 4.46Å; L693-I765 HydrophobicContact CD1-CD1 3.9Å; L693-V791 HydrophobicContact CD1-CG1 3.62Å; L693-V791 HydrophobicContact CG-CG1 3.93Å; L693-I795 HydrophobicContact CB-CG1 4.19Å; L693-I795 HydrophobicContact CB-CG2 4.44Å; L693-I795 HydrophobicContact CD1-CD1 4.43Å; L693-I795 HydrophobicContact CD1-CG1 4.21Å; L693-S796 PolarHBondContact O-N 3.06Å
694	L	79.4	Confident	61.7	Low	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	120.8	179.7	-169.6	142.2	0	0	0	111.5	I656 L657 L658 F659 T696 S796 V798 I829 L834	I656-L694 HydrophobicContact CG2-CB 4.46Å; L657-L694 PolarHBondContact O-N 3.42Å; L658-L694 WeakPolarHBondContact CA-O 3.32Å; L658-L694 HydrophobicContact CD2-CB 3.81Å; L658-L694 HydrophobicContact CD2-CD2 3.61Å; L658-L694 HydrophobicContact CD2-CG 4.28Å; F659-L694 PolarHBondContact N-O 3.34Å; F659-L694 VanDerWaalsContact N-O 3.14Å; L694-T696 HydrophobicContact CD2-CG2 3.81Å; L694-S796 CarbonylContact C-O 3.54Å; L694-S796 VanDerWaalsContact CA-O 3.32Å; L694-S796 WeakPolarHBondContact CA-O 3.33Å; L694-V798 HydrophobicContact CD1-CG2 3.83Å; L694-V798 HydrophobicContact CD2-CB 4.12Å; L694-V798 HydrophobicContact CD2-CG2 3.77Å; L694-V798 HydrophobicContact CG-CG2 4.03Å; L694-I829 HydrophobicContact CD1-CD1 4.48Å; L694-L834 HydrophobicContact CD1-CD1 3.6Å; L694-L834 HydrophobicContact CD1-CD2 3.98Å; L694-L834 HydrophobicContact CD1-CG 4.44Å
695	G	74.5	Confident	60.7	Low	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	131.7	176.4	0	0	0	0	0	111.1	F659 S796 F797 V798	F659-G695 WeakPolarHBondContact O-CA 3.49Å; G695-S796 PolarHBondContact N-O 3.18Å; G695-F797 CarbonylContact O-C 3.29Å; G695-F797 WeakPolarHBondContact O-CA 3.24Å; G695-V798 PolarHBondContact O-N 2.95Å
696	T	75.4	Confident	59.6	Low	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	167	177.6	61	0	0	0	0	111.3	S547 L658 F659 T661 L694 L800	S547-T696 VanDerWaalsContact O-CG2 3.31Å; S547-T696 WeakPolarHBondContact O-CG2 3.27Å; S547-T696 PolarHBondContact O-OG1 3.46Å; L658-T696 HydrophobicContact CD1-CG2 4.34Å; L658-T696 HydrophobicContact CD2-CG2 4.49Å; F659-T696 PolarHBondContact O-N 3.24Å; F659-T696 PolarHBondContact O-OG1 2.65Å; T661-T696 VanDerWaalsContact CB-O 3.27Å; T661-T696 WeakPolarHBondContact CB-O 3.36Å; T661-T696 PolarHBondContact N-O 2.97Å; T661-T696 PolarHBondContact OG1-O 3.44Å; L694-T696 HydrophobicContact CD2-CG2 3.81Å; T696-L800 HydrophobicContact CG2-CD1 3.77Å
697	H	67.7	Low	58.3	Low	50 Å²	50	49.1 Å²	49.1	23%	0.231	25%	0.248	C	C	.	.			trans	55.7	65.5	175.1	-59.4	-72.6	0	0	0	113.4	N662 D699	N662-H697 PolarHBondContact OD1-O 2.89Å; H697-D699 PolarHBondContact O-N 3.08Å
698	C	62.5	Low	57	Low	12 Å²	12	53.1 Å²	53.1	8%	0.081	27%	0.266	C	S	.	.			trans	-87.8	15.5	-177.8	-59	0	0	0	0	112.8	I701 I828	C698-I701 HydrophobicContact CB-CD1 4.48Å; C698-I828 HydrophobicContact CB-CD1 4.47Å
699	D	54.6	Low	55.7	Low	53 Å²	53	59 Å²	59	28%	0.283	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	1.2	-145	-36.8	-38.9	0	0	0	112.5	H697 N799 S801	H697-D699 PolarHBondContact O-N 3.08Å; D699-N799 WeakPolarHBondContact OD1-CB 3.29Å; D699-N799 PolarHBondContact OD1-ND2 3.29Å; D699-N799 PolarHBondContact OD1-OD1 2.79Å; D699-S801 VanDerWaalsContact CG-OG 3.32Å; D699-S801 WeakPolarHBondContact OD2-CB 3.29Å; D699-S801 PolarHBondContact OD2-OG 3.12Å
700	Q	48.8	Very low	54.1	Low	164 Å²	164	65.8 Å²	65.8	77%	0.766	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	18.4	-173.9	-62.2	-176.8	-31	0	0	113.4	N662 D702	N662-Q700 PolarHBondContact ND2-OE1 3.37Å; Q700-D702 PolarHBondContact O-N 3.25Å
701	I	47.9	Very low	52.3	Low	39 Å²	39	66.8 Å²	66.8	20%	0.2	33%	0.332	C	S	.	.			trans	-84.3	109.2	-172.5	-54.5	172	0	0	0	110.4	T661 I665 C698 P703 I826	T661-I701 HydrophobicContact CG2-CD1 3.8Å; I665-I701 HydrophobicContact CD1-CB 4.45Å; I665-I701 HydrophobicContact CD1-CD1 3.81Å; I665-I701 HydrophobicContact CD1-CG1 3.84Å; I665-I701 HydrophobicContact CD1-CG2 3.78Å; C698-I701 HydrophobicContact CB-CD1 4.48Å; I701-P703 HydrophobicContact CG2-CB 4.12Å; I701-P703 HydrophobicContact CG2-CG 4.4Å; I701-P703 VanDerWaalsContact O-CD 3.29Å; I701-P703 WeakPolarHBondContact O-CD 3.11Å; I701-I826 HydrophobicContact CD1-CD1 3.73Å
702	D	44.6	Very low	50.2	Low	61 Å²	61	73.2 Å²	73.2	33%	0.326	37%	0.365	S	S	.	.			trans	-103.8	85.5	164.3	-177.9	6.7	0	0	0	109.7	Q700 Y704 K705	Q700-D702 PolarHBondContact O-N 3.25Å; D702-Y704 PolarHBondContact O-N 3.26Å; D702-K705 PolarHBondContact O-N 3.4Å
703	P	42.4	Very low	47.9	Very low	26 Å²	26	77.5 Å²	77.5	17%	0.169	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	7.1	-165.7	33.5	-36.4	0	0	0	114.2	I701 Y824	I701-P703 HydrophobicContact CG2-CB 4.12Å; I701-P703 HydrophobicContact CG2-CG 4.4Å; I701-P703 VanDerWaalsContact O-CD 3.29Å; I701-P703 WeakPolarHBondContact O-CD 3.11Å; P703-Y824 VanDerWaalsContact CD-CE2 3.43Å; P703-Y824 HydrophobicContact CG-CD1 3.45Å; P703-Y824 VanDerWaalsContact CG-CD1 3.45Å; P703-Y824 HydrophobicContact CG-CD2 3.29Å; P703-Y824 HydrophobicContact CG-CE1 3.7Å; P703-Y824 HydrophobicContact CG-CE2 3.5Å; P703-Y824 HydrophobicContact CG-CG 3.28Å
704	Y	34.2	Very low	45.6	Very low	154 Å²	154	80.6 Å²	80.6	60%	0.604	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-8.6	170.6	-97.3	-129.7	0	0	0	113.5	D702 Y824	D702-Y704 PolarHBondContact O-N 3.26Å; Y704-Y824 AromaticContact CD2-CE1 3.73Å; Y704-Y824 HydrophobicContact CD2-CE1 3.73Å; Y704-Y824 AromaticContact CD2-CZ 3.56Å; Y704-Y824 WeakPolarHBondContact CD2-OH 3.46Å; Y704-Y824 AromaticContact CE2-CE1 3.69Å; Y704-Y824 HydrophobicContact CE2-CE1 3.69Å; Y704-Y824 AromaticContact CE2-CZ 3.91Å; Y704-Y824 WeakPolarHBondContact CE2-OH 3.39Å; Y704-Y824 VanDerWaalsContact CG-OH 3.3Å
705	K	37	Very low	43.2	Very low	160 Å²	160	86.5 Å²	86.5	70%	0.696	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-26.6	-178.9	-116.8	176.9	-177.2	171.7	0	114.9	D702	D702-K705 PolarHBondContact O-N 3.4Å
706	S	38.2	Very low	41.1	Very low	52 Å²	52	93 Å²	93	36%	0.364	48%	0.476	S	S	.	.	S	Bend	trans	-96.9	-28.1	-178.6	52.1	0	0	0	0	114.3	L708	S706-L708 PolarHBondContact O-N 3.34Å
707	F	35.6	Very low	38.9	Very low	118 Å²	118	98.2 Å²	98.2	52%	0.518	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2	-169.3	-118.7	-90.4	0	0	0	116	V753	F707-V753 HydrophobicContact CE1-CG1 4.12Å; F707-V753 HydrophobicContact CE2-CG1 4.21Å; F707-V753 HydrophobicContact CZ-CG1 3.8Å
708	L	33.2	Very low	37.2	Very low	125 Å²	125	100 Å²	100	65%	0.654	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	3.3	-171	-86	166.9	0	0	0	115.2	S706	S706-L708 PolarHBondContact O-N 3.34Å
709	Q	33	Very low	35.6	Very low	161 Å²	161	105 Å²	105	75%	0.752	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-25.9	175.5	-77.8	-175.8	-73.9	0	0	114.4
710	D	31.2	Very low	34.5	Very low	142 Å²	142	110.7 Å²	110.7	76%	0.759	56%	0.564	S	S	*	*	S	Bend	trans	-100.2	5.5	178.1	-63.9	-44.1	0	0	0	114.2	I712	D710-I712 PolarHBondContact O-N 2.97Å
711	S	30.7	Very low	33.6	Very low	77 Å²	77	109 Å²	109	54%	0.538	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.6	23.6	-178.9	64	0	0	0	0	114.9
712	I	28.7	Very low	32.7	Very low	135 Å²	135	111.6 Å²	111.6	69%	0.692	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	-23.6	-174.3	-74.1	168.8	0	0	0	113.2	D710	D710-I712 PolarHBondContact O-N 2.97Å
713	N	29.9	Very low	32.1	Very low	96 Å²	96	116.6 Å²	116.6	51%	0.513	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-94	6.1	-178	-79	23.2	0	0	0	115.3	N715 E716	N713-N715 PolarHBondContact O-N 2.83Å; N713-N715 VanDerWaalsContact O-N 3.13Å; N713-E716 PolarHBondContact O-N 3.41Å
714	A	29.1	Very low	31.4	Very low	67 Å²	67	123 Å²	123	55%	0.554	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-63.3	-18	178.5	0	0	0	0	0	114.2	I718	A714-I718 VanDerWaalsContact O-CD1 3.26Å; A714-I718 WeakPolarHBondContact O-CD1 3.44Å; A714-I718 WeakPolarHBondContact O-CG1 3.48Å
715	N	28.3	Very low	31	Very low	124 Å²	124	122.2 Å²	122.2	66%	0.663	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-89.6	-25	178.9	-70.8	-21.8	0	0	0	113.9	N713 I718	N713-N715 PolarHBondContact O-N 2.83Å; N713-N715 VanDerWaalsContact O-N 3.13Å; N715-I718 PolarHBondContact O-N 3.49Å
716	E	29.6	Very low	30.5	Very low	136 Å²	136	123 Å²	123	64%	0.636	64%	0.636	S	S	*	*	H	α-helix	trans	-77.9	-30.9	-178.9	-67.6	-170.9	143.8	0	0	112.4	N713 I718 D719	N713-E716 PolarHBondContact O-N 3.41Å; E716-I718 PolarHBondContact O-N 2.87Å; E716-D719 PolarHBondContact O-N 2.63Å
717	I	30.7	Very low	30	Very low	110 Å²	110	126.6 Å²	126.6	56%	0.564	66%	0.656	S	S	*	*	H	α-helix	trans	-71	-22.5	175.2	-61.7	173.4	0	0	0	111.7
718	I	31.3	Very low	29.7	Very low	89 Å²	89	129 Å²	129	46%	0.456	67%	0.674	S	S	.	*	H	α-helix	trans	-73.8	-39.1	178.1	-68.7	173.7	0	0	0	110.8	A714 N715 E716 N722	A714-I718 VanDerWaalsContact O-CD1 3.26Å; A714-I718 WeakPolarHBondContact O-CD1 3.44Å; A714-I718 WeakPolarHBondContact O-CG1 3.48Å; N715-I718 PolarHBondContact O-N 3.49Å; E716-I718 PolarHBondContact O-N 2.87Å; I718-N722 WeakPolarHBondContact CG2-ND2 3.47Å; I718-N722 WeakPolarHBondContact O-CB 3.36Å; I718-N722 PolarHBondContact O-N 3.41Å; I718-N722 PolarHBondContact O-ND2 3.47Å
719	D	29.4	Very low	29.3	Very low	117 Å²	117	133.1 Å²	133.1	63%	0.626	69%	0.686	S	S	*	*	H	α-helix	trans	-83.9	-24.6	-175.2	-78.7	-16.4	0	0	0	114.9	E716	E716-D719 PolarHBondContact O-N 2.63Å
720	E	29.8	Very low	29	Very low	171 Å²	171	130.7 Å²	130.7	80%	0.799	69%	0.687	S	S	*	*	H	α-helix	trans	-83	-24.3	172.9	-70.7	-159.3	141.3	0	0	113.8
721	Q	30.9	Very low	28.7	Very low	128 Å²	128	133 Å²	133	60%	0.598	69%	0.693	S	S	*	*	H	α-helix	trans	-86.6	-23.6	174.5	-66.5	-166.9	-3.4	0	0	113.7	H723	Q721-H723 PolarHBondContact O-N 2.9Å
722	N	29.4	Very low	28.5	Very low	94 Å²	94	135.6 Å²	135.6	50%	0.503	70%	0.701	S	S	.	*	G	3₁₀ helix	trans	-67.4	-17.8	175.6	-79.9	-23	0	0	0	113.6	I718 L724	I718-N722 WeakPolarHBondContact CG2-ND2 3.47Å; I718-N722 WeakPolarHBondContact O-CB 3.36Å; I718-N722 PolarHBondContact O-N 3.41Å; I718-N722 PolarHBondContact O-ND2 3.47Å; N722-L724 PolarHBondContact O-N 3.25Å
723	H	30.9	Very low	28.3	Very low	167 Å²	167	134.9 Å²	134.9	77%	0.773	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-84.6	-0.7	-178.1	-116.2	-46.5	0	0	0	115.6	Q721	Q721-H723 PolarHBondContact O-N 2.9Å
724	L	29.2	Very low	28	Very low	159 Å²	159	137 Å²	137	83%	0.832	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-112.2	7.4	174.9	-80.4	164.3	0	0	0	113.5	N722	N722-L724 PolarHBondContact O-N 3.25Å
725	L	26	Very low	27.9	Very low	139 Å²	139	141.1 Å²	141.1	73%	0.728	73%	0.727	S	S	*	*			trans	-125	39.3	-170.1	-80.3	165	0	0	0	114.2
726	E	26.5	Very low	27.7	Very low	177 Å²	177	139.8 Å²	139.8	83%	0.827	72%	0.724	S	S	*	*			trans	-113	55.3	169.1	-71.1	-161.2	141.4	0	0	113.3
727	T	27.4	Very low	27.5	Very low	127 Å²	127	141 Å²	141	78%	0.779	73%	0.733	S	S	*	*	S	Bend	trans	-161.1	79	157.6	31.5	0	0	0	0	111.6
728	N	28.3	Very low	27.2	Very low	169 Å²	169	142.2 Å²	142.2	90%	0.904	74%	0.736	S	S	*	*				166	125.9	129.5	-82.9	-31.1	0	0	0	111
729	K	25.7	Very low	26.9	Very low	211 Å²	211	145.6 Å²	145.6	92%	0.917	76%	0.755	S	S	*	*			trans	-87.5	124.7	-175.4	-60.5	168.4	176.9	176.2	0	111
730	S	25.7	Very low	26.6	Very low	110 Å²	110	146 Å²	146	77%	0.769	76%	0.758	S	S	*	*			trans	171.5	141.2	135.5	53.7	0	0	0	0	111.4
731	E	25.8	Very low	26.5	Very low	189 Å²	189	147.6 Å²	147.6	88%	0.883	77%	0.765	S	S	*	*			trans	63	86.2	168.9	-60.3	-172.7	177.9	0	0	117.7
732	N	25.1	Very low	26.3	Very low	132 Å²	132	146.2 Å²	146.2	71%	0.706	77%	0.769	S	S	*	*			trans	-131.6	106.8	163.4	-153.1	10.9	0	0	0	108.1	L734	N732-L734 PolarHBondContact O-N 3.2Å
733	P	26.1	Very low	26.1	Very low	121 Å²	121	147.2 Å²	147.2	79%	0.786	78%	0.775	S	S	*	*			trans	-76.3	79.8	174.8	31.2	-32.7	0	0	0	109.4	I735	P733-I735 PolarHBondContact O-N 2.94Å
734	L	23.9	Very low	25.9	Very low	141 Å²	141	146.4 Å²	146.4	74%	0.738	78%	0.776	S	S	*	*			trans	-62.5	100	161.8	-83.7	161	0	0	0	108.4	N732 T736	N732-L734 PolarHBondContact O-N 3.2Å; L734-T736 PolarHBondContact O-N 2.99Å
735	I	25.9	Very low	25.9	Very low	153 Å²	153	144.8 Å²	144.8	79%	0.785	77%	0.768	S	S	*	*			trans	-85.9	95.1	153.2	-61.9	-177.7	0	0	0	106.6	P733 I737	P733-I735 PolarHBondContact O-N 2.94Å; I735-I737 PolarHBondContact O-N 3.37Å; I735-I737 VanDerWaalsContact O-N 3.14Å
736	T	23.3	Very low	26.2	Very low	96 Å²	96	144 Å²	144	59%	0.589	76%	0.764	S	S	*	*			trans	-45.6	110.1	160.1	22	0	0	0	0	110.9	L734 Q738	L734-T736 PolarHBondContact O-N 2.99Å; T736-Q738 HydrophobicContact CG2-CG 4.1Å; T736-Q738 PolarHBondContact O-N 2.83Å
737	I	26.4	Very low	26.2	Very low	162 Å²	162	147 Å²	147	83%	0.831	77%	0.767	S	S	*	*			trans	-81.7	78.7	148	-56.2	-179	0	0	0	105.7	I735	I735-I737 PolarHBondContact O-N 3.37Å; I735-I737 VanDerWaalsContact O-N 3.14Å
738	Q	24.6	Very low	26.3	Very low	134 Å²	134	145.1 Å²	145.1	63%	0.626	76%	0.759	S	S	*	*			trans	-64	138.9	162.7	-86.8	176.7	-29.2	0	0	108.3	T736 N740	T736-Q738 HydrophobicContact CG2-CG 4.1Å; T736-Q738 PolarHBondContact O-N 2.83Å; Q738-N740 PolarHBondContact O-N 2.97Å
739	N	24.7	Very low	26.4	Very low	161 Å²	161	141.6 Å²	141.6	86%	0.861	74%	0.744	S	S	*	*			trans	-60.9	97.2	169.2	-66	-39.9	0	0	0	109.1
740	N	24.2	Very low	26.7	Very low	126 Å²	126	138.5 Å²	138.5	67%	0.674	73%	0.73	S	S	*	*			trans	-121.8	127.8	168.3	-83.6	-24.4	0	0	0	108.9	Q738 S742	Q738-N740 PolarHBondContact O-N 2.97Å; N740-S742 VanDerWaalsContact C-N 3.32Å; N740-S742 PolarHBondContact O-N 2.82Å
741	E	26.2	Very low	27.2	Very low	203 Å²	203	137 Å²	137	95%	0.949	72%	0.72	S	S	*	*	S	Bend	trans	-82.2	62.6	-161.6	-58.8	175.5	125.7	0	0	112.8
742	S	26.3	Very low	27.6	Very low	100 Å²	100	129.7 Å²	129.7	70%	0.699	70%	0.695	S	S	*	*			trans	-156.1	44.1	-178.8	71.2	0	0	0	0	116.5	N740	N740-S742 VanDerWaalsContact C-N 3.32Å; N740-S742 PolarHBondContact O-N 2.82Å
743	D	25.8	Very low	28.4	Very low	114 Å²	114	127.1 Å²	127.1	61%	0.61	68%	0.684	S	S	*	*			trans	-156.5	71.1	163	-117.9	-29.6	0	0	0	114.8	N745 I746	D743-N745 PolarHBondContact O-N 3.36Å; D743-I746 HydrophobicContact CB-CD1 4.42Å
744	N	27.4	Very low	29.4	Very low	151 Å²	151	124.4 Å²	124.4	81%	0.807	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	5.7	179.3	-88.3	-37.2	0	0	0	115.1
745	N	29.1	Very low	30.6	Very low	124 Å²	124	122.3 Å²	122.3	66%	0.663	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-18.3	-175.2	-72	-34.1	0	0	0	114.8	D743 R747 S748	D743-N745 PolarHBondContact O-N 3.36Å; N745-R747 VanDerWaalsContact C-N 3.29Å; N745-R747 PolarHBondContact O-N 3.48Å; N745-S748 PolarHBondContact O-OG 2.9Å
746	I	30.9	Very low	31.8	Very low	123 Å²	123	119.9 Å²	119.9	63%	0.631	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-77.8	-11.4	-173.2	-61.4	176.6	0	0	0	112.9	D743 S748	D743-I746 HydrophobicContact CB-CD1 4.42Å; I746-S748 PolarHBondContact O-N 3.14Å
747	R	27.6	Very low	33.2	Very low	240 Å²	240	117 Å²	117	91%	0.906	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-73.1	16.8	174.4	-73.5	-176.1	171.5	176.2	-1.7	114.9	N745	N745-R747 VanDerWaalsContact C-N 3.29Å; N745-R747 PolarHBondContact O-N 3.48Å
748	S	29.1	Very low	34.5	Very low	87 Å²	87	112 Å²	112	61%	0.608	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-127.7	-11.6	-168.4	68.8	0	0	0	0	116.9	N745 I746	N745-S748 PolarHBondContact O-OG 2.9Å; I746-S748 PolarHBondContact O-N 3.14Å
749	T	30	Very low	36.1	Very low	95 Å²	95	112.2 Å²	112.2	58%	0.583	60%	0.595	S	S	*	*			trans	-106.1	112.3	-168	49.7	0	0	0	0	114.7	S751 G752	T749-S751 PolarHBondContact O-N 3.23Å; T749-G752 PolarHBondContact O-N 2.97Å
750	K	33.4	Very low	37.6	Very low	146 Å²	146	108.7 Å²	108.7	64%	0.635	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	1.8	-169.6	-68.1	166	176.1	163	0	117.5
751	S	36.5	Very low	39.1	Very low	79 Å²	79	103.2 Å²	103.2	55%	0.552	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-6.6	-178.9	58.7	0	0	0	0	114.8	T749 N755	T749-S751 PolarHBondContact O-N 3.23Å; S751-N755 PolarHBondContact O-ND2 3.32Å
752	G	33.8	Very low	40.7	Very low	35 Å²	35	95.9 Å²	95.9	36%	0.361	51%	0.51	S	S	.	.	H	α-helix	trans	-69.6	-42.4	-175	0	0	0	0	0	114.5	T749 N755 V756	T749-G752 PolarHBondContact O-N 2.97Å; G752-N755 PolarHBondContact O-N 3.46Å; G752-V756 WeakPolarHBondContact O-CG2 3.5Å; G752-V756 PolarHBondContact O-N 2.92Å
753	V	42	Very low	42.1	Very low	78 Å²	78	94.3 Å²	94.3	47%	0.473	49%	0.494	S	S	.	.	H	α-helix	trans	-66.1	-46.5	-169	-176.3	0	0	0	0	112.2	F707 V756 L757	F707-V753 HydrophobicContact CE1-CG1 4.12Å; F707-V753 HydrophobicContact CE2-CG1 4.21Å; F707-V753 HydrophobicContact CZ-CG1 3.8Å; V753-V756 PolarHBondContact O-N 3.24Å; V753-L757 PolarHBondContact O-N 3.37Å
754	F	46.3	Very low	43.4	Very low	64 Å²	64	90.2 Å²	90.2	28%	0.281	47%	0.473	S	S	.	.	H	α-helix	trans	-69.5	-33.9	179.1	-78.2	-79.1	0	0	0	113.1	V756 L757 Q758 I826	F754-V756 VanDerWaalsContact C-N 3.34Å; F754-L757 HydrophobicContact CD1-CD2 4.3Å; F754-L757 WeakPolarHBondContact O-CB 3.39Å; F754-L757 PolarHBondContact O-N 3.27Å; F754-Q758 WeakPolarHBondContact O-CB 3.17Å; F754-Q758 PolarHBondContact O-N 3.1Å; F754-I826 HydrophobicContact CE1-CD1 4.13Å; F754-I826 HydrophobicContact CE1-CG1 4.22Å; F754-I826 HydrophobicContact CE2-CD1 4.42Å; F754-I826 HydrophobicContact CE2-CG1 4.03Å; F754-I826 HydrophobicContact CZ-CD1 3.74Å; F754-I826 HydrophobicContact CZ-CG1 3.79Å
755	N	50.3	Low	44.6	Very low	98 Å²	98	84.4 Å²	84.4	52%	0.524	44%	0.442	S	S	.	.	H	α-helix	trans	-64.5	-38.2	171.9	-80.3	-41.2	0	0	0	112	S751 G752 K759	S751-N755 PolarHBondContact O-ND2 3.32Å; G752-N755 PolarHBondContact O-N 3.46Å; N755-K759 WeakPolarHBondContact O-CB 3.34Å; N755-K759 PolarHBondContact O-N 2.96Å
756	V	50.6	Low	45.7	Very low	102 Å²	102	83.4 Å²	83.4	62%	0.618	43%	0.433	S	S	*	.	H	α-helix	trans	-65.4	-41.2	171.9	170.9	0	0	0	0	110.9	G752 V753 F754 K759 H760	G752-V756 WeakPolarHBondContact O-CG2 3.5Å; G752-V756 PolarHBondContact O-N 2.92Å; V753-V756 PolarHBondContact O-N 3.24Å; F754-V756 VanDerWaalsContact C-N 3.34Å; V756-K759 PolarHBondContact O-N 3.31Å; V756-H760 VanDerWaalsContact O-CB 3.32Å; V756-H760 WeakPolarHBondContact O-CB 3.18Å; V756-H760 PolarHBondContact O-N 3.33Å
757	L	52.3	Low	46.7	Very low	36 Å²	36	85.8 Å²	85.8	19%	0.188	43%	0.434	C	S	.	.	H	α-helix	trans	-62	-51.1	177.7	-154.2	92.8	0	0	0	112	F664 V753 F754 K759 H760 I761	F664-L757 HydrophobicContact CD1-CD2 4.29Å; F664-L757 HydrophobicContact CE1-CD1 4.08Å; F664-L757 HydrophobicContact CE1-CD2 3.73Å; F664-L757 HydrophobicContact CE1-CG 4Å; V753-L757 PolarHBondContact O-N 3.37Å; F754-L757 HydrophobicContact CD1-CD2 4.3Å; F754-L757 WeakPolarHBondContact O-CB 3.39Å; F754-L757 PolarHBondContact O-N 3.27Å; L757-K759 PolarHBondContact O-N 2.97Å; L757-H760 PolarHBondContact O-N 2.85Å; L757-H760 VanDerWaalsContact O-N 3.17Å; L757-I761 HydrophobicContact CD2-CD1 4.43Å; L757-I761 HydrophobicContact CG-CD1 4.46Å; L757-I761 WeakPolarHBondContact O-CG1 3.32Å; L757-I761 PolarHBondContact O-N 2.84Å
758	Q	53.9	Low	47.6	Very low	57 Å²	57	77.9 Å²	77.9	27%	0.266	41%	0.409	S	S	.	.	H	α-helix	trans	-60.3	-45.3	177.2	-177.5	179.1	-1.7	0	0	110.9	F754 H760 I761 I762 Q793 I795	F754-Q758 WeakPolarHBondContact O-CB 3.17Å; F754-Q758 PolarHBondContact O-N 3.1Å; Q758-H760 VanDerWaalsContact C-N 3.31Å; Q758-H760 PolarHBondContact O-N 3.14Å; Q758-I761 PolarHBondContact O-N 3.38Å; Q758-I762 HydrophobicContact CG-CD1 3.84Å; Q758-I762 WeakPolarHBondContact O-CB 3.48Å; Q758-I762 VanDerWaalsContact O-CG1 3.28Å; Q758-I762 WeakPolarHBondContact O-CG1 3.4Å; Q758-I762 PolarHBondContact O-N 3.06Å; Q758-Q793 PolarHBondContact NE2-O 2.82Å; Q758-I795 HydrophobicContact CG-CD1 4.33Å
759	K	56.9	Low	48.3	Very low	138 Å²	138	76.4 Å²	76.4	60%	0.6	40%	0.399	S	S	*	.	H	α-helix	trans	-63.3	-36	176.1	-170	171.9	-175.7	176.2	0	112.1	N755 V756 L757 N763	N755-K759 WeakPolarHBondContact O-CB 3.34Å; N755-K759 PolarHBondContact O-N 2.96Å; V756-K759 PolarHBondContact O-N 3.31Å; L757-K759 PolarHBondContact O-N 2.97Å; K759-N763 WeakPolarHBondContact O-CB 3.43Å; K759-N763 PolarHBondContact O-N 3.44Å; K759-N763 PolarHBondContact O-ND2 2.95Å; K759-N763 PolarHBondContact O-OD1 2.95Å
760	H	56.7	Low	48.9	Very low	87 Å²	87	79.4 Å²	79.4	40%	0.403	40%	0.404	S	S	.	.	H	α-helix	trans	-68.4	-47	175.3	-170.7	110.8	0	0	0	111.6	F668 V756 L757 Q758 I762 N763 T764	F668-H760 AromaticContact CZ-CD2 3.64Å; F668-H760 AromaticContact CZ-NE2 3.79Å; V756-H760 VanDerWaalsContact O-CB 3.32Å; V756-H760 WeakPolarHBondContact O-CB 3.18Å; V756-H760 PolarHBondContact O-N 3.33Å; L757-H760 PolarHBondContact O-N 2.85Å; L757-H760 VanDerWaalsContact O-N 3.17Å; Q758-H760 VanDerWaalsContact C-N 3.31Å; Q758-H760 PolarHBondContact O-N 3.14Å; H760-I762 VanDerWaalsContact C-N 3.35Å; H760-I762 PolarHBondContact O-N 2.89Å; H760-N763 PolarHBondContact O-N 3.24Å; H760-T764 PolarHBondContact CD2-OG1 3.33Å; H760-T764 PolarHBondContact NE2-OG1 3.02Å; H760-T764 WeakPolarHBondContact O-CB 3.4Å; H760-T764 PolarHBondContact O-N 3.36Å; H760-T764 PolarHBondContact O-OG1 2.92Å
761	I	55.9	Low	49.1	Very low	11 Å²	11	76.1 Å²	76.1	6%	0.056	40%	0.399	C	S	.	.	H	α-helix	trans	-58.5	-47.8	177.4	-65.3	163.3	0	0	0	110.3	F664 L693 L757 Q758 T764 I765 I795	F664-I761 HydrophobicContact CE1-CD1 4.26Å; F664-I761 HydrophobicContact CE2-CD1 3.96Å; F664-I761 HydrophobicContact CE2-CG1 4.26Å; F664-I761 HydrophobicContact CZ-CD1 3.52Å; F664-I761 HydrophobicContact CZ-CG1 3.76Å; L693-I761 HydrophobicContact CD1-CG2 4.46Å; L757-I761 HydrophobicContact CD2-CD1 4.43Å; L757-I761 HydrophobicContact CG-CD1 4.46Å; L757-I761 WeakPolarHBondContact O-CG1 3.32Å; L757-I761 PolarHBondContact O-N 2.84Å; Q758-I761 PolarHBondContact O-N 3.38Å; I761-T764 PolarHBondContact O-N 3.22Å; I761-I765 HydrophobicContact CG2-CD1 3.82Å; I761-I765 VanDerWaalsContact O-CG1 3.3Å; I761-I765 WeakPolarHBondContact O-CG1 3.47Å; I761-I765 PolarHBondContact O-N 3.07Å; I761-I795 HydrophobicContact CB-CD1 4.23Å; I761-I795 HydrophobicContact CD1-CD1 3.75Å; I761-I795 HydrophobicContact CG2-CD1 3.99Å
762	I	59.1	Low	49	Very low	48 Å²	48	74 Å²	74	25%	0.246	38%	0.382	C	S	.	.	H	α-helix	trans	-61.4	-49.8	177.4	-66.8	168.3	0	0	0	110.7	Q758 H760 T764 I765 E766 Q793	Q758-I762 HydrophobicContact CG-CD1 3.84Å; Q758-I762 WeakPolarHBondContact O-CB 3.48Å; Q758-I762 VanDerWaalsContact O-CG1 3.28Å; Q758-I762 WeakPolarHBondContact O-CG1 3.4Å; Q758-I762 PolarHBondContact O-N 3.06Å; H760-I762 VanDerWaalsContact C-N 3.35Å; H760-I762 PolarHBondContact O-N 2.89Å; I762-T764 VanDerWaalsContact C-N 3.28Å; I762-T764 PolarHBondContact O-N 3.29Å; I762-I765 PolarHBondContact O-N 2.98Å; I762-E766 HydrophobicContact CG2-CG 4.47Å; I762-E766 WeakPolarHBondContact O-CG 3.32Å; I762-E766 PolarHBondContact O-N 3.37Å; I762-Q793 WeakPolarHBondContact CD1-O 3.34Å
763	N	56.8	Low	49.1	Very low	67 Å²	67	81.4 Å²	81.4	36%	0.358	41%	0.408	S	S	.	.	H	α-helix	trans	-60.3	-36.1	178.3	-76.1	-9.1	0	0	0	112.8	K759 H760 R767	K759-N763 WeakPolarHBondContact O-CB 3.43Å; K759-N763 PolarHBondContact O-N 3.44Å; K759-N763 PolarHBondContact O-ND2 2.95Å; K759-N763 PolarHBondContact O-OD1 2.95Å; H760-N763 PolarHBondContact O-N 3.24Å; N763-R767 WeakPolarHBondContact O-CB 3.3Å; N763-R767 VanDerWaalsContact O-CG 3.25Å; N763-R767 WeakPolarHBondContact O-CG 3.35Å; N763-R767 PolarHBondContact O-N 3.09Å
764	T	53.1	Low	48.6	Very low	28 Å²	28	82.1 Å²	82.1	17%	0.172	42%	0.416	C	S	.	.	H	α-helix	trans	-72.8	-40.2	178.4	-68.2	0	0	0	0	111.2	V672 H760 I761 I762 R767 L768	V672-T764 HydrophobicContact CG1-CG2 3.97Å; H760-T764 PolarHBondContact CD2-OG1 3.33Å; H760-T764 PolarHBondContact NE2-OG1 3.02Å; H760-T764 WeakPolarHBondContact O-CB 3.4Å; H760-T764 PolarHBondContact O-N 3.36Å; H760-T764 PolarHBondContact O-OG1 2.92Å; I761-T764 PolarHBondContact O-N 3.22Å; I762-T764 VanDerWaalsContact C-N 3.28Å; I762-T764 PolarHBondContact O-N 3.29Å; T764-R767 PolarHBondContact O-N 3.21Å; T764-L768 HydrophobicContact CG2-CD1 3.91Å; T764-L768 WeakPolarHBondContact O-CB 3.4Å; T764-L768 VanDerWaalsContact O-CG 3.26Å; T764-L768 WeakPolarHBondContact O-CG 3.37Å; T764-L768 PolarHBondContact O-N 3.27Å
765	I	51.4	Low	47.8	Very low	29 Å²	29	85.3 Å²	85.3	15%	0.149	43%	0.43	C	S	.	.	H	α-helix	trans	-61.5	-44.2	170.6	-68.7	168.3	0	0	0	110.7	L679 L693 I761 I762 L768 S769 V791	L679-I765 HydrophobicContact CD1-CD1 4.29Å; L679-I765 HydrophobicContact CD1-CG1 4.08Å; L679-I765 HydrophobicContact CD1-CG2 4.25Å; L693-I765 HydrophobicContact CD1-CD1 3.9Å; I761-I765 HydrophobicContact CG2-CD1 3.82Å; I761-I765 VanDerWaalsContact O-CG1 3.3Å; I761-I765 WeakPolarHBondContact O-CG1 3.47Å; I761-I765 PolarHBondContact O-N 3.07Å; I762-I765 PolarHBondContact O-N 2.98Å; I765-L768 PolarHBondContact O-N 3.46Å; I765-S769 PolarHBondContact O-N 2.91Å; I765-V791 HydrophobicContact CG2-CG2 4.15Å
766	E	54.3	Low	46.8	Very low	104 Å²	104	87.4 Å²	87.4	49%	0.486	44%	0.441	S	S	.	.	H	α-helix	trans	-64	-43.8	176.1	-75.6	-170.6	177.9	0	0	112.6	I762 S769 K770	I762-E766 HydrophobicContact CG2-CG 4.47Å; I762-E766 WeakPolarHBondContact O-CG 3.32Å; I762-E766 PolarHBondContact O-N 3.37Å; E766-S769 WeakPolarHBondContact O-CB 3.36Å; E766-S769 PolarHBondContact O-N 2.84Å; E766-S769 PolarHBondContact O-OG 2.73Å; E766-K770 PolarHBondContact O-N 3.41Å
767	R	50.5	Low	45.7	Very low	173 Å²	173	85.8 Å²	85.8	65%	0.653	43%	0.429	S	S	*	.	H	α-helix	trans	-60.8	-46.1	174.8	-79.8	174.6	174.2	-167.4	-2.9	111.2	N763 T764 S769 K770 C771	N763-R767 WeakPolarHBondContact O-CB 3.3Å; N763-R767 VanDerWaalsContact O-CG 3.25Å; N763-R767 WeakPolarHBondContact O-CG 3.35Å; N763-R767 PolarHBondContact O-N 3.09Å; T764-R767 PolarHBondContact O-N 3.21Å; R767-S769 VanDerWaalsContact C-N 3.29Å; R767-S769 PolarHBondContact O-N 2.93Å; R767-K770 CarbonylContact O-C 3.51Å; R767-K770 WeakPolarHBondContact O-CA 3.46Å; R767-K770 WeakPolarHBondContact O-CB 3.43Å; R767-K770 PolarHBondContact O-N 3.3Å; R767-C771 PolarHBondContact O-N 3.28Å; R767-C771 PolarHBondContact O-SG 3.5Å
768	L	46	Very low	44.5	Very low	73 Å²	73	88.3 Å²	88.3	38%	0.382	45%	0.447	S	S	.	.	H	α-helix	trans	-66.7	-30.9	178.2	-70.3	167.6	0	0	0	112.5	C676 T764 I765 K770 C771	C676-L768 HydrophobicContact CB-CD1 3.98Å; C676-L768 WeakPolarHBondContact SG-CD1 3.25Å; T764-L768 HydrophobicContact CG2-CD1 3.91Å; T764-L768 WeakPolarHBondContact O-CB 3.4Å; T764-L768 VanDerWaalsContact O-CG 3.26Å; T764-L768 WeakPolarHBondContact O-CG 3.37Å; T764-L768 PolarHBondContact O-N 3.27Å; I765-L768 PolarHBondContact O-N 3.46Å; L768-K770 PolarHBondContact O-N 3.08Å; L768-C771 PolarHBondContact O-N 2.97Å
769	S	44	Very low	43.2	Very low	57 Å²	57	92.2 Å²	92.2	40%	0.399	47%	0.47	S	S	.	.	H	α-helix	trans	-61.5	-27.6	170	85.4	0	0	0	0	113.1	I765 E766 R767	I765-S769 PolarHBondContact O-N 2.91Å; E766-S769 WeakPolarHBondContact O-CB 3.36Å; E766-S769 PolarHBondContact O-N 2.84Å; E766-S769 PolarHBondContact O-OG 2.73Å; R767-S769 VanDerWaalsContact C-N 3.29Å; R767-S769 PolarHBondContact O-N 2.93Å
770	K	42.3	Very low	41.9	Very low	158 Å²	158	93.1 Å²	93.1	69%	0.687	48%	0.481	S	S	*	.	H	α-helix	trans	-87	-38.9	174.9	-63.8	177.6	179.9	-179.9	0	112.7	E766 R767 L768 T772	E766-K770 PolarHBondContact O-N 3.41Å; R767-K770 CarbonylContact O-C 3.51Å; R767-K770 WeakPolarHBondContact O-CA 3.46Å; R767-K770 WeakPolarHBondContact O-CB 3.43Å; R767-K770 PolarHBondContact O-N 3.3Å; L768-K770 PolarHBondContact O-N 3.08Å; K770-T772 PolarHBondContact O-N 3.46Å; K770-T772 VanDerWaalsContact O-N 3.17Å
771	C	37.8	Very low	40.8	Very low	77 Å²	77	94 Å²	94	52%	0.52	48%	0.481	S	S	.	.	H	α-helix	trans	-69.3	-11.9	-173.5	-67.1	0	0	0	0	115.5	R767 L768 E773 S774	R767-C771 PolarHBondContact O-N 3.28Å; R767-C771 PolarHBondContact O-SG 3.5Å; L768-C771 PolarHBondContact O-N 2.97Å; C771-E773 VanDerWaalsContact C-N 3.32Å; C771-E773 PolarHBondContact O-N 3.21Å; C771-S774 PolarHBondContact O-OG 3.21Å
772	T	35.5	Very low	39.5	Very low	34 Å²	34	97.3 Å²	97.3	21%	0.209	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-74.6	-5.9	-174.1	47.5	0	0	0	0	116.7	L680 R683 K770 S774 F775	L680-T772 HydrophobicContact CD2-CG2 4.14Å; R683-T772 PolarHBondContact NH1-OG1 3.44Å; K770-T772 PolarHBondContact O-N 3.46Å; K770-T772 VanDerWaalsContact O-N 3.17Å; T772-S774 PolarHBondContact O-N 3.07Å; T772-S774 VanDerWaalsContact O-N 3.1Å; T772-F775 PolarHBondContact O-N 3.15Å
773	E	35.7	Very low	38.3	Very low	190 Å²	190	99.7 Å²	99.7	89%	0.888	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-63.6	-14.7	179.6	-66	-172.4	166.8	0	0	114.1	C771	C771-E773 VanDerWaalsContact C-N 3.32Å; C771-E773 PolarHBondContact O-N 3.21Å
774	S	31.1	Very low	37.5	Very low	93 Å²	93	98.2 Å²	98.2	65%	0.65	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-90.6	-11.7	-178.1	59.1	0	0	0	0	115.2	C771 T772 N776	C771-S774 PolarHBondContact O-OG 3.21Å; T772-S774 PolarHBondContact O-N 3.07Å; T772-S774 VanDerWaalsContact O-N 3.1Å; S774-N776 PolarHBondContact O-N 2.99Å
775	F	30.1	Very low	36.8	Very low	131 Å²	131	100.4 Å²	100.4	58%	0.575	52%	0.517	S	S	*	.			trans	-82.2	119.8	-172.3	-80.4	-86.8	0	0	0	113.2	T772 L777	T772-F775 PolarHBondContact O-N 3.15Å; F775-L777 PolarHBondContact O-N 3.45Å
776	N	28.8	Very low	36.3	Very low	143 Å²	143	106.1 Å²	106.1	77%	0.765	55%	0.548	S	S	*	.			trans	-80.3	61.9	-172.3	-134.4	-27	0	0	0	112.3	S774 K782	S774-N776 PolarHBondContact O-N 2.99Å; N776-K782 VanDerWaalsContact OD1-CE 3.28Å; N776-K782 WeakPolarHBondContact OD1-CE 3.37Å; N776-K782 PolarHBondContact OD1-NZ 2.9Å
777	L	28.5	Very low	36	Very low	67 Å²	67	103.2 Å²	103.2	35%	0.351	54%	0.536	S	S	.	.			trans	-55.6	152.9	178.4	-82.9	154.5	0	0	0	112.5	F775 K782	F775-L777 PolarHBondContact O-N 3.45Å; L777-K782 HydrophobicContact CB-CG 4.3Å; L777-K782 VanDerWaalsContact O-CD 3.25Å; L777-K782 WeakPolarHBondContact O-CD 3.34Å; L777-K782 WeakPolarHBondContact O-CE 3.31Å; L777-K782 PolarHBondContact O-NZ 3.21Å
778	P	26.8	Very low	36.1	Very low	89 Å²	89	102.7 Å²	102.7	58%	0.578	54%	0.538	S	S	*	.			trans	-55.9	144	170.4	-23	33.9	0	0	0	111.1	L780 Y781	P778-L780 PolarHBondContact O-N 2.9Å; P778-Y781 PolarHBondContact O-N 2.91Å
779	N	27.1	Very low	36.8	Very low	140 Å²	140	101 Å²	101	75%	0.749	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-2.8	-171.3	-70	-2.5	0	0	0	116	K782	N779-K782 WeakPolarHBondContact OD1-CD 3.46Å; N779-K782 PolarHBondContact OD1-NZ 3.47Å
780	L	29.7	Very low	37.5	Very low	157 Å²	157	101.9 Å²	101.9	82%	0.822	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-22.8	170.2	-85.7	129.3	0	0	0	114.1	P778	P778-L780 PolarHBondContact O-N 2.9Å
781	Y	31.6	Very low	38.4	Very low	105 Å²	105	95.9 Å²	95.9	41%	0.412	51%	0.509	S	S	.	.	S	Bend	trans	-121.6	9	-172.2	-63	-81.1	0	0	0	113.8	P778 H783	P778-Y781 PolarHBondContact O-N 2.91Å; Y781-H783 PolarHBondContact O-N 3.49Å; Y781-H783 VanDerWaalsContact O-N 3.09Å
782	K	28.9	Very low	39.7	Very low	81 Å²	81	93.3 Å²	93.3	35%	0.352	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	7	-165.3	-123.3	169.1	179.7	150.7	0	116.4	N776 L777 N779	N776-K782 VanDerWaalsContact OD1-CE 3.28Å; N776-K782 WeakPolarHBondContact OD1-CE 3.37Å; N776-K782 PolarHBondContact OD1-NZ 2.9Å; L777-K782 HydrophobicContact CB-CG 4.3Å; L777-K782 VanDerWaalsContact O-CD 3.25Å; L777-K782 WeakPolarHBondContact O-CD 3.34Å; L777-K782 WeakPolarHBondContact O-CE 3.31Å; L777-K782 PolarHBondContact O-NZ 3.21Å; N779-K782 WeakPolarHBondContact OD1-CD 3.46Å; N779-K782 PolarHBondContact OD1-NZ 3.47Å
783	H	34.2	Very low	40.6	Very low	98 Å²	98	99.1 Å²	99.1	45%	0.454	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	10.9	-174.9	-74.3	-72.9	0	0	0	114.5	R391 E414 Y781 A785	R391-H783 PolarHBondContact NH2-CE1 2.79Å; E414-H783 IonicContact OE1-ND1 3.06Å; Y781-H783 PolarHBondContact O-N 3.49Å; Y781-H783 VanDerWaalsContact O-N 3.09Å; H783-A785 PolarHBondContact O-N 2.83Å
784	E	41	Very low	41.8	Very low	36 Å²	36	95.1 Å²	95.1	17%	0.168	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	37.9	179.9	-62.7	180	171.7	0	0	114.3	R683	R683-E784 PolarHBondContact NH2-O 3.48Å
785	A	37.3	Very low	43.4	Very low	74 Å²	74	91.6 Å²	91.6	61%	0.612	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-31.7	-175.5	0	0	0	0	0	113.6	H783	H783-A785 PolarHBondContact O-N 2.83Å
786	N	40.8	Very low	45.3	Very low	149 Å²	149	85.8 Å²	85.8	80%	0.797	45%	0.448	S	S	*	.	S	Bend	trans	-95.7	-2.2	-175.2	-81.5	-20.7	0	0	0	115.5	K788	N786-K788 PolarHBondContact O-N 3.27Å
787	N	49.3	Very low	47.1	Very low	43 Å²	43	80.3 Å²	80.3	23%	0.23	42%	0.418	C	S	.	.			trans	-86.8	72.6	-177.6	-68.5	-24.3	0	0	0	111.9	P687 I789	P687-N787 HydrophobicContact CB-CB 3.51Å; P687-N787 VanDerWaalsContact CB-ND2 3.3Å; P687-N787 WeakPolarHBondContact CB-ND2 3.3Å; N787-I789 PolarHBondContact O-N 2.99Å
788	K	52.4	Low	49.1	Very low	162 Å²	162	77.2 Å²	77.2	70%	0.704	40%	0.402	S	S	*	.			trans	-66.6	125.3	172.7	-71.9	-172.5	177.7	-176.8	0	110.5	N786	N786-K788 PolarHBondContact O-N 3.27Å
789	I	59.5	Low	51	Low	36 Å²	36	74.6 Å²	74.6	19%	0.185	38%	0.383	C	S	.	.			trans	-66.4	137.8	161.5	-72.7	175.2	0	0	0	108.4	L679 L682 R683 I691 N787 V791	L679-I789 HydrophobicContact CD2-CG2 4.3Å; L679-I789 WeakPolarHBondContact O-CD1 3.41Å; L682-I789 HydrophobicContact CB-CD1 4.07Å; R683-I789 HydrophobicContact CB-CD1 3.84Å; R683-I789 HydrophobicContact CB-CG1 4.4Å; I691-I789 HydrophobicContact CD1-CD1 4.23Å; I691-I789 HydrophobicContact CD1-CG2 3.39Å; I691-I789 HydrophobicContact CG1-CG2 3.84Å; N787-I789 PolarHBondContact O-N 2.99Å; I789-V791 HydrophobicContact CG2-CG2 4.01Å
790	T	59.1	Low	52.8	Low	76 Å²	76	68.5 Å²	68.5	47%	0.466	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	99.8	173.4	-56.8	0	0	0	0	109.7	S689 I690 I691	S689-T790 PolarHBondContact O-N 2.78Å; I690-T790 WeakPolarHBondContact CA-O 3.43Å; I691-T790 PolarHBondContact N-O 2.91Å
791	V	61.7	Low	54	Low	33 Å²	33	64.5 Å²	64.5	20%	0.2	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128	169.3	-177.4	0	0	0	0	108.6	L679 L693 I765 I789 Q793	L679-V791 HydrophobicContact CD2-CG2 4.03Å; L693-V791 HydrophobicContact CD1-CG1 3.62Å; L693-V791 HydrophobicContact CG-CG1 3.93Å; I765-V791 HydrophobicContact CG2-CG2 4.15Å; I789-V791 HydrophobicContact CG2-CG2 4.01Å; V791-Q793 PolarHBondContact O-N 3.28Å
792	L	63.9	Low	54.7	Low	22 Å²	22	65 Å²	65	12%	0.115	34%	0.344	C	S	.	.			trans	-67.3	131.4	177.6	-63.4	179.7	0	0	0	110.4	I690 I691 K692 N794	I690-L792 HydrophobicContact CG2-CD1 4.36Å; I690-L792 HydrophobicContact CG2-CD2 3.9Å; I690-L792 HydrophobicContact CG2-CG 4.05Å; I691-L792 PolarHBondContact O-N 2.85Å; K692-L792 HydrophobicContact CB-CD1 4.19Å; K692-L792 HydrophobicContact CD-CB 4.48Å; K692-L792 HydrophobicContact CD-CD1 3.97Å; L792-N794 PolarHBondContact O-N 3.2Å; L792-N794 VanDerWaalsContact O-N 3.1Å
793	Q	54.8	Low	55	Low	157 Å²	157	66.5 Å²	66.5	73%	0.734	36%	0.362	S	S	*	.	S	Bend	trans	-61.3	-22.5	-170.6	-69.6	177.5	-23.6	0	0	114.8	Q758 I762 V791	Q758-Q793 PolarHBondContact NE2-O 2.82Å; I762-Q793 WeakPolarHBondContact CD1-O 3.34Å; V791-Q793 PolarHBondContact O-N 3.28Å
794	N	61.7	Low	54.9	Low	105 Å²	105	66.4 Å²	66.4	56%	0.561	37%	0.365	S	S	*	.			trans	-100.9	110.9	-180	-66	1.4	0	0	0	110.5	K692 L792	K692-N794 PolarHBondContact NZ-O 3.25Å; K692-N794 VanDerWaalsContact NZ-O 3.07Å; L792-N794 PolarHBondContact O-N 3.2Å; L792-N794 VanDerWaalsContact O-N 3.1Å
795	I	64.6	Low	54.4	Low	19 Å²	19	70 Å²	70	10%	0.097	39%	0.394	C	S	.	.			trans	-74.2	126.3	165.7	-56.5	175.4	0	0	0	107.3	F659 L693 Q758 I761 F797	F659-I795 HydrophobicContact CE1-CG2 3.95Å; F659-I795 HydrophobicContact CZ-CG2 3.84Å; L693-I795 HydrophobicContact CB-CG1 4.19Å; L693-I795 HydrophobicContact CB-CG2 4.44Å; L693-I795 HydrophobicContact CD1-CD1 4.43Å; L693-I795 HydrophobicContact CD1-CG1 4.21Å; Q758-I795 HydrophobicContact CG-CD1 4.33Å; I761-I795 HydrophobicContact CB-CD1 4.23Å; I761-I795 HydrophobicContact CD1-CD1 3.75Å; I761-I795 HydrophobicContact CG2-CD1 3.99Å; I795-F797 HydrophobicContact CG2-CE1 4.49Å; I795-F797 HydrophobicContact CG2-CE2 4.06Å; I795-F797 HydrophobicContact CG2-CZ 3.95Å
796	S	68.9	Low	53.8	Low	9 Å²	9	75.9 Å²	75.9	6%	0.063	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	147.9	174.6	-65.4	0	0	0	0	110.8	K692 L693 L694 G695	K692-S796 VanDerWaalsContact CE-OG 3.26Å; K692-S796 WeakPolarHBondContact CE-OG 3.3Å; K692-S796 PolarHBondContact NZ-OG 3.44Å; L693-S796 PolarHBondContact O-N 3.06Å; L694-S796 CarbonylContact C-O 3.54Å; L694-S796 VanDerWaalsContact CA-O 3.32Å; L694-S796 WeakPolarHBondContact CA-O 3.33Å; G695-S796 PolarHBondContact N-O 3.18Å
797	F	67.7	Low	53.2	Low	29 Å²	29	77.1 Å²	77.1	13%	0.127	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.7	178.4	-68	-83.1	0	0	0	110.2	F659 T661 G695 I795 I826 I828 I829	F659-F797 HydrophobicContact CE2-CE1 4.29Å; F659-F797 HydrophobicContact CZ-CE1 4.07Å; T661-F797 HydrophobicContact CG2-CD1 4.19Å; T661-F797 HydrophobicContact CG2-CE1 3.97Å; G695-F797 CarbonylContact O-C 3.29Å; G695-F797 WeakPolarHBondContact O-CA 3.24Å; I795-F797 HydrophobicContact CG2-CE1 4.49Å; I795-F797 HydrophobicContact CG2-CE2 4.06Å; I795-F797 HydrophobicContact CG2-CZ 3.95Å; F797-I826 HydrophobicContact CB-CG2 3.79Å; F797-I826 HydrophobicContact CD2-CG2 3.81Å; F797-I826 HydrophobicContact CG-CG2 3.79Å; F797-I828 CarbonylContact O-C 3.52Å; F797-I828 WeakPolarHBondContact O-CA 3.41Å; F797-I829 VanDerWaalsContact O-CG1 3.29Å; F797-I829 WeakPolarHBondContact O-CG1 3.47Å; F797-I829 PolarHBondContact O-N 3.01Å
798	V	70.8	Confident	52	Low	1 Å²	1	80.8 Å²	80.8	1%	0.006	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.1	178.5	178.5	0	0	0	0	109.7	L694 G695 L800 I829	L694-V798 HydrophobicContact CD1-CG2 3.83Å; L694-V798 HydrophobicContact CD2-CB 4.12Å; L694-V798 HydrophobicContact CD2-CG2 3.77Å; L694-V798 HydrophobicContact CG-CG2 4.03Å; G695-V798 PolarHBondContact O-N 2.95Å; V798-L800 HydrophobicContact CG1-CD2 3.66Å; V798-L800 HydrophobicContact CG1-CG 4.14Å; V798-I829 HydrophobicContact CG2-CD1 3.88Å; V798-I829 HydrophobicContact CG2-CG1 3.75Å
799	N	66	Low	50.8	Low	34 Å²	34	80.9 Å²	80.9	18%	0.182	44%	0.439	C	S	.	.			trans	-81.1	119.1	166.5	-179.6	-38.9	0	0	0	108.4	D699 S801 L802 I828	D699-N799 WeakPolarHBondContact OD1-CB 3.29Å; D699-N799 PolarHBondContact OD1-ND2 3.29Å; D699-N799 PolarHBondContact OD1-OD1 2.79Å; N799-S801 WeakPolarHBondContact OD1-CA 3.4Å; N799-S801 PolarHBondContact OD1-N 3.43Å; N799-S801 PolarHBondContact OD1-OG 2.94Å; N799-L802 HydrophobicContact CB-CD1 4.21Å; N799-L802 PolarHBondContact OD1-N 2.92Å; N799-L802 VanDerWaalsContact OD1-N 3.13Å; N799-I828 HydrophobicContact CB-CD1 4.4Å; N799-I828 HydrophobicContact CB-CG2 3.64Å
800	L	64.8	Low	49.1	Very low	13 Å²	13	84.7 Å²	84.7	7%	0.068	46%	0.464	C	S	.	.	S	Bend	trans	-101.3	6.2	-178.5	-67.1	177.2	0	0	0	113.1	T551 L552 T696 V798	T551-L800 HydrophobicContact CG2-CB 4Å; T551-L800 HydrophobicContact CG2-CD1 4.07Å; T551-L800 HydrophobicContact CG2-CD2 4.47Å; T551-L800 HydrophobicContact CG2-CG 4.42Å; L552-L800 HydrophobicContact CD1-CD2 4.3Å; T696-L800 HydrophobicContact CG2-CD1 3.77Å; V798-L800 HydrophobicContact CG1-CD2 3.66Å; V798-L800 HydrophobicContact CG1-CG 4.14Å
801	S	55.4	Low	47.6	Very low	72 Å²	72	86 Å²	86	50%	0.503	48%	0.477	S	S	.	.			trans	-105.9	-11.7	-177	74.4	0	0	0	0	115	D699 N799 P803	D699-S801 VanDerWaalsContact CG-OG 3.32Å; D699-S801 WeakPolarHBondContact OD2-CB 3.29Å; D699-S801 PolarHBondContact OD2-OG 3.12Å; N799-S801 WeakPolarHBondContact OD1-CA 3.4Å; N799-S801 PolarHBondContact OD1-N 3.43Å; N799-S801 PolarHBondContact OD1-OG 2.94Å; S801-P803 WeakPolarHBondContact O-CD 3.45Å
802	L	46.8	Very low	45.9	Very low	116 Å²	116	89.9 Å²	89.9	61%	0.607	51%	0.505	S	S	*	.			trans	-73.2	119.3	178.4	-83.4	162.5	0	0	0	110.9	N799	N799-L802 HydrophobicContact CB-CD1 4.21Å; N799-L802 PolarHBondContact OD1-N 2.92Å; N799-L802 VanDerWaalsContact OD1-N 3.13Å
803	P	34.8	Very low	44.1	Very low	112 Å²	112	94.1 Å²	94.1	73%	0.727	53%	0.534	S	S	*	.			trans	-74.4	129.9	175.7	29.7	-33	0	0	0	110.7	S801 S805	S801-P803 WeakPolarHBondContact O-CD 3.45Å; P803-S805 PolarHBondContact O-N 3.15Å
804	L	32.1	Very low	42.6	Very low	96 Å²	96	96 Å²	96	50%	0.503	54%	0.539	S	S	.	.			trans	-51.7	101.3	177.2	-74.8	164.1	0	0	0	112.2	E559 K806	E559-L804 HydrophobicContact CG-CD1 4.39Å; E559-L804 WeakPolarHBondContact OE1-CD2 3.26Å; L804-K806 PolarHBondContact O-N 3.19Å
805	S	29.7	Very low	40.8	Very low	111 Å²	111	98.9 Å²	98.9	78%	0.776	56%	0.555	S	S	*	*			trans	-75.2	105.5	178.7	60	0	0	0	0	110.4	P803 H807	P803-S805 PolarHBondContact O-N 3.15Å; S805-H807 PolarHBondContact O-N 3.36Å
806	K	25.4	Very low	38.8	Very low	198 Å²	198	106.5 Å²	106.5	86%	0.861	59%	0.587	S	S	*	*			trans	-67.2	80.9	179	-63.6	176.7	178.3	177.6	0	112.9	L804	L804-K806 PolarHBondContact O-N 3.19Å
807	H	28.3	Very low	36.8	Very low	175 Å²	175	112.3 Å²	112.3	81%	0.81	62%	0.622	S	S	*	*			trans	-156.8	129.2	154	-87.1	-59.4	0	0	0	111.3	S805 I809	S805-H807 PolarHBondContact O-N 3.36Å; H807-I809 PolarHBondContact O-N 3.36Å
808	P	23.7	Very low	34.7	Very low	121 Å²	121	119 Å²	119	79%	0.786	65%	0.653	S	S	*	*			trans	-77	103.1	175.6	31.1	-32	0	0	0	109.6	T810	P808-T810 PolarHBondContact O-N 3.03Å
809	I	27	Very low	32.6	Very low	163 Å²	163	125.1 Å²	125.1	84%	0.836	69%	0.69	S	S	*	*			trans	-81.1	99.5	171.3	-59.3	-179.3	0	0	0	108.1	H807	H807-I809 PolarHBondContact O-N 3.36Å
810	T	24.1	Very low	30.6	Very low	117 Å²	117	127.4 Å²	127.4	72%	0.718	71%	0.714	S	S	*	*			trans	-66.4	151	167	45.3	0	0	0	0	110.8	P808	P808-T810 PolarHBondContact O-N 3.03Å
811	S	27.3	Very low	28.7	Very low	104 Å²	104	134.1 Å²	134.1	73%	0.727	75%	0.75	S	S	*	*	S	Bend	trans	73	106.1	167.3	70	0	0	0	0	120
812	S	25.3	Very low	27.4	Very low	114 Å²	114	138.5 Å²	138.5	80%	0.797	76%	0.763	S	S	*	*			trans	75.4	152.1	140.6	76.7	0	0	0	0	119.4
813	P	26.1	Very low	26.5	Very low	111 Å²	111	135.5 Å²	135.5	72%	0.721	75%	0.75	S	S	*	*	S	Bend	trans	-93.3	162.5	-156.6	37.2	-36.8	0	0	0	114
814	K	23.3	Very low	26.2	Very low	195 Å²	195	134.2 Å²	134.2	85%	0.848	73%	0.732	S	S	*	*			trans	69.4	101.5	177	-48.4	168.1	-177	173.4	0	113.5
815	N	24.8	Very low	26	Very low	166 Å²	166	137.6 Å²	137.6	89%	0.888	75%	0.749	S	S	*	*			trans	-141.3	120.7	146.6	-103.3	-37.4	0	0	0	112	V817	N815-V817 PolarHBondContact O-N 3.3Å
816	K	23.6	Very low	26.6	Very low	179 Å²	179	133.7 Å²	133.7	78%	0.778	72%	0.719	S	S	*	*			trans	-74.9	118.8	175.6	-62.9	168.7	177.3	176.1	0	108.1	H818	K816-H818 PolarHBondContact O-N 2.84Å
817	V	26	Very low	27.7	Very low	131 Å²	131	131.3 Å²	131.3	79%	0.794	72%	0.716	S	S	*	*			trans	-87.9	103.2	163.5	179.9	0	0	0	0	108	N815 V819	N815-V817 PolarHBondContact O-N 3.3Å; V817-V819 HydrophobicContact CG1-CG2 4.3Å; V817-V819 PolarHBondContact O-N 2.84Å
818	H	23.1	Very low	29.1	Very low	170 Å²	170	126.6 Å²	126.6	79%	0.787	70%	0.696	S	S	*	*			trans	-70.7	112.5	170.4	-86.1	-88	0	0	0	109.9	K816	K816-H818 PolarHBondContact O-N 2.84Å
819	V	27.7	Very low	31	Very low	129 Å²	129	122.2 Å²	122.2	78%	0.782	67%	0.666	S	S	*	*			trans	-122.7	137.2	154.2	-177.2	0	0	0	0	107.2	V817	V817-V819 HydrophobicContact CG1-CG2 4.3Å; V817-V819 PolarHBondContact O-N 2.84Å
820	A	24.1	Very low	32.9	Very low	83 Å²	83	118.1 Å²	118.1	69%	0.686	65%	0.645	S	S	*	*			trans	-73.7	147.9	-166.2	0	0	0	0	0	113.4
821	N	24.7	Very low	34.9	Very low	154 Å²	154	113 Å²	113	82%	0.824	61%	0.614	S	S	*	*	S	Bend	trans	65.9	76.6	163.2	-56.4	-17.5	0	0	0	118.4
822	Q	27.1	Very low	36.7	Very low	163 Å²	163	112.1 Å²	112.1	76%	0.762	60%	0.601	S	S	*	*				175.4	154.3	118.9	-93.9	179.7	-0.4	0	0	111.3
823	P	28	Very low	38.8	Very low	53 Å²	53	111.6 Å²	111.6	34%	0.344	59%	0.586	S	S	.	*			trans	-131.1	73.3	-150.7	43.8	-29.2	0	0	0	118.7
824	Y	28.2	Very low	41.1	Very low	86 Å²	86	106.4 Å²	106.4	34%	0.337	55%	0.552	S	S	.	*			trans	-138.7	137.7	171.1	-46.5	-73.8	0	0	0	112	P703 Y704	P703-Y824 VanDerWaalsContact CD-CE2 3.43Å; P703-Y824 HydrophobicContact CG-CD1 3.45Å; P703-Y824 VanDerWaalsContact CG-CD1 3.45Å; P703-Y824 HydrophobicContact CG-CD2 3.29Å; P703-Y824 HydrophobicContact CG-CE1 3.7Å; P703-Y824 HydrophobicContact CG-CE2 3.5Å; P703-Y824 HydrophobicContact CG-CG 3.28Å; Y704-Y824 AromaticContact CD2-CE1 3.73Å; Y704-Y824 HydrophobicContact CD2-CE1 3.73Å; Y704-Y824 AromaticContact CD2-CZ 3.56Å; Y704-Y824 WeakPolarHBondContact CD2-OH 3.46Å; Y704-Y824 AromaticContact CE2-CE1 3.69Å; Y704-Y824 HydrophobicContact CE2-CE1 3.69Å; Y704-Y824 AromaticContact CE2-CZ 3.91Å; Y704-Y824 WeakPolarHBondContact CE2-OH 3.39Å; Y704-Y824 VanDerWaalsContact CG-OH 3.3Å
825	L	28.6	Very low	43.4	Very low	166 Å²	166	97.9 Å²	97.9	87%	0.869	52%	0.515	S	S	*	.			trans	-124.8	115.9	178.2	-90.9	160.9	0	0	0	109.4
826	I	41.8	Very low	45.6	Very low	29 Å²	29	93.5 Å²	93.5	15%	0.149	50%	0.497	C	S	.	.			trans	-97.4	139.9	163	-63.9	169.5	0	0	0	105.7	I701 F754 F797 I828	I701-I826 HydrophobicContact CD1-CD1 3.73Å; F754-I826 HydrophobicContact CE1-CD1 4.13Å; F754-I826 HydrophobicContact CE1-CG1 4.22Å; F754-I826 HydrophobicContact CE2-CD1 4.42Å; F754-I826 HydrophobicContact CE2-CG1 4.03Å; F754-I826 HydrophobicContact CZ-CD1 3.74Å; F754-I826 HydrophobicContact CZ-CG1 3.79Å; F797-I826 HydrophobicContact CB-CG2 3.79Å; F797-I826 HydrophobicContact CD2-CG2 3.81Å; F797-I826 HydrophobicContact CG-CG2 3.79Å; I826-I828 VanDerWaalsContact C-N 3.26Å; I826-I828 HydrophobicContact CB-CG1 4.27Å; I826-I828 HydrophobicContact CG2-CG1 4.19Å; I826-I828 PolarHBondContact O-N 2.83Å
827	D	49.5	Very low	47.8	Very low	148 Å²	148	88 Å²	88	79%	0.791	48%	0.475	S	S	*	.			trans	-71.5	88.7	169.5	-76.5	-20.1	0	0	0	108.8
828	I	56.4	Low	50	Low	76 Å²	76	81.9 Å²	81.9	39%	0.39	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-81.9	112.9	175.3	-64.2	167.7	0	0	0	107.4	C698 F797 N799 I826	C698-I828 HydrophobicContact CB-CD1 4.47Å; F797-I828 CarbonylContact O-C 3.52Å; F797-I828 WeakPolarHBondContact O-CA 3.41Å; N799-I828 HydrophobicContact CB-CD1 4.4Å; N799-I828 HydrophobicContact CB-CG2 3.64Å; I826-I828 VanDerWaalsContact C-N 3.26Å; I826-I828 HydrophobicContact CB-CG1 4.27Å; I826-I828 HydrophobicContact CG2-CG1 4.19Å; I826-I828 PolarHBondContact O-N 2.83Å
829	I	65.2	Low	52.4	Low	29 Å²	29	74.4 Å²	74.4	15%	0.149	40%	0.403	C	S	.	.			trans	-78.1	145.6	174.9	55.7	154.8	0	0	0	111.1	L694 F797 V798 E833 L834	L694-I829 HydrophobicContact CD1-CD1 4.48Å; F797-I829 VanDerWaalsContact O-CG1 3.29Å; F797-I829 WeakPolarHBondContact O-CG1 3.47Å; F797-I829 PolarHBondContact O-N 3.01Å; V798-I829 HydrophobicContact CG2-CD1 3.88Å; V798-I829 HydrophobicContact CG2-CG1 3.75Å; I829-E833 VanDerWaalsContact CA-OE2 3.22Å; I829-E833 WeakPolarHBondContact CA-OE2 3.38Å; I829-E833 HydrophobicContact CB-CB 4.26Å; I829-E833 WeakPolarHBondContact CB-OE2 3.49Å; I829-L834 HydrophobicContact CD1-CB 4.08Å; I829-L834 HydrophobicContact CD1-CD1 4.25Å
830	N	65.2	Low	54.4	Low	77 Å²	77	74.3 Å²	74.3	41%	0.412	39%	0.393	S	S	.	.			trans	-79.6	163.6	170.1	-167.7	26.8	0	0	0	111.6	D832 E833 L834	N830-D832 VanDerWaalsContact C-N 3.26Å; N830-D832 PolarHBondContact ND2-OD2 3.02Å; N830-D832 PolarHBondContact O-N 2.98Å; N830-E833 HydrophobicContact CB-CG 4.47Å; N830-E833 PolarHBondContact N-OE2 3.41Å; N830-E833 PolarHBondContact O-N 2.97Å; N830-E833 VanDerWaalsContact O-N 3.1Å; N830-L834 PolarHBondContact O-N 2.96Å; N830-L834 VanDerWaalsContact O-N 3.09Å
831	V	67.3	Low	56.4	Low	10 Å²	10	74.7 Å²	74.7	6%	0.061	38%	0.377	C	S	.	.	H	α-helix	trans	-60	-36.1	174.9	-175.4	0	0	0	0	111.5	H555 L556 E559 E833 L834 W835	H555-V831 HydrophobicContact CB-CG2 4.18Å; L556-V831 HydrophobicContact CD2-CG1 3.94Å; E559-V831 WeakPolarHBondContact OE2-CG1 3.39Å; V831-E833 VanDerWaalsContact C-N 3.33Å; V831-E833 PolarHBondContact O-N 2.78Å; V831-L834 WeakPolarHBondContact O-CB 3.28Å; V831-L834 PolarHBondContact O-N 3.39Å; V831-W835 PolarHBondContact O-N 3.19Å
832	D	65.4	Low	58.3	Low	85 Å²	85	67.6 Å²	67.6	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-60.5	-37.4	172.8	-66.6	-53.8	0	0	0	113.7	N830 W835 S836	N830-D832 VanDerWaalsContact C-N 3.26Å; N830-D832 PolarHBondContact ND2-OD2 3.02Å; N830-D832 PolarHBondContact O-N 2.98Å; D832-W835 WeakPolarHBondContact O-CB 3.35Å; D832-W835 PolarHBondContact O-N 3.45Å; D832-S836 PolarHBondContact O-N 3.02Å; D832-S836 PolarHBondContact O-OG 3.4Å
833	E	68.1	Low	59.7	Low	104 Å²	104	63 Å²	63	49%	0.486	32%	0.32	S	S	.	.	H	α-helix	trans	-74.3	-35.7	178.9	-64.5	176.8	146.5	0	0	110.4	I829 N830 V831 S836 E837	I829-E833 VanDerWaalsContact CA-OE2 3.22Å; I829-E833 WeakPolarHBondContact CA-OE2 3.38Å; I829-E833 HydrophobicContact CB-CB 4.26Å; I829-E833 WeakPolarHBondContact CB-OE2 3.49Å; N830-E833 HydrophobicContact CB-CG 4.47Å; N830-E833 PolarHBondContact N-OE2 3.41Å; N830-E833 PolarHBondContact O-N 2.97Å; N830-E833 VanDerWaalsContact O-N 3.1Å; V831-E833 VanDerWaalsContact C-N 3.33Å; V831-E833 PolarHBondContact O-N 2.78Å; E833-S836 WeakPolarHBondContact O-CB 3.26Å; E833-S836 PolarHBondContact O-N 3.17Å; E833-E837 PolarHBondContact O-N 2.97Å
834	L	74.1	Confident	61.1	Low	2 Å²	2	66.3 Å²	66.3	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-62.9	-41.9	170.5	-175.7	61.2	0	0	0	111.8	L552 L556 L694 I829 N830 V831 S836 E837 I838	L552-L834 HydrophobicContact CD1-CD2 3.85Å; L556-L834 HydrophobicContact CD2-CD2 4.44Å; L694-L834 HydrophobicContact CD1-CD1 3.6Å; L694-L834 HydrophobicContact CD1-CD2 3.98Å; L694-L834 HydrophobicContact CD1-CG 4.44Å; I829-L834 HydrophobicContact CD1-CB 4.08Å; I829-L834 HydrophobicContact CD1-CD1 4.25Å; N830-L834 PolarHBondContact O-N 2.96Å; N830-L834 VanDerWaalsContact O-N 3.09Å; V831-L834 WeakPolarHBondContact O-CB 3.28Å; V831-L834 PolarHBondContact O-N 3.39Å; L834-S836 VanDerWaalsContact C-N 3.33Å; L834-S836 PolarHBondContact O-N 3Å; L834-E837 PolarHBondContact O-N 3.04Å; L834-I838 HydrophobicContact CD1-CD1 4.36Å; L834-I838 HydrophobicContact CG-CD1 4.05Å; L834-I838 VanDerWaalsContact O-CG1 3.29Å; L834-I838 WeakPolarHBondContact O-CG1 3.4Å; L834-I838 PolarHBondContact O-N 3.46Å
835	W	73.4	Confident	62.1	Low	15 Å²	15	65.2 Å²	65.2	6%	0.057	33%	0.328	C	S	.	.	H	α-helix	trans	-57.7	-46.4	172.3	-88.3	122.2	0	0	0	111.7	L556 P609 M614 F616 V831 D832 E837 I838 E839	L556-W835 HydrophobicContact CB-CZ2 4.13Å; L556-W835 HydrophobicContact CD2-CD2 4.2Å; L556-W835 HydrophobicContact CD2-CZ2 3.93Å; P609-W835 HydrophobicContact CG-CD2 4.21Å; P609-W835 HydrophobicContact CG-CG 4.14Å; M614-W835 HydrophobicContact CE-CE3 4.5Å; M614-W835 HydrophobicContact CE-CZ3 3.82Å; M614-W835 HydrophobicContact SD-CH2 4.22Å; M614-W835 HydrophobicContact SD-CZ3 3.64Å; F616-W835 HydrophobicContact CE2-CH2 4.33Å; V831-W835 PolarHBondContact O-N 3.19Å; D832-W835 WeakPolarHBondContact O-CB 3.35Å; D832-W835 PolarHBondContact O-N 3.45Å; W835-E837 PolarHBondContact O-N 3.27Å; W835-I838 PolarHBondContact O-N 3.22Å; W835-E839 WeakPolarHBondContact O-CG 3.32Å; W835-E839 PolarHBondContact O-N 2.94Å
836	S	70.5	Confident	62.7	Low	74 Å²	74	59.2 Å²	59.2	52%	0.517	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-40.5	178.5	-58.1	0	0	0	0	112.3	D832 E833 L834 H840	D832-S836 PolarHBondContact O-N 3.02Å; D832-S836 PolarHBondContact O-OG 3.4Å; E833-S836 WeakPolarHBondContact O-CB 3.26Å; E833-S836 PolarHBondContact O-N 3.17Å; L834-S836 VanDerWaalsContact C-N 3.33Å; L834-S836 PolarHBondContact O-N 3Å; S836-H840 VanDerWaalsContact O-CB 3.27Å; S836-H840 WeakPolarHBondContact O-CB 3.45Å; S836-H840 PolarHBondContact O-N 2.83Å
837	E	70.1	Confident	62.5	Low	65 Å²	65	64.2 Å²	64.2	30%	0.304	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-44.2	172.8	-80.3	-158.8	-175.2	0	0	112.6	K692 E833 L834 W835 R841	K692-E837 WeakPolarHBondContact CE-OE2 3.48Å; K692-E837 VanDerWaalsContact NZ-CD 3.3Å; K692-E837 IonicContact NZ-OE1 2.68Å; K692-E837 PolarHBondContact NZ-OE1 3.39Å; K692-E837 IonicContact NZ-OE2 3.7Å; K692-E837 PolarHBondContact NZ-OE2 3.47Å; E833-E837 PolarHBondContact O-N 2.97Å; L834-E837 PolarHBondContact O-N 3.04Å; W835-E837 PolarHBondContact O-N 3.27Å; E837-R841 WeakPolarHBondContact O-CB 3.29Å; E837-R841 VanDerWaalsContact O-CG 3.32Å; E837-R841 WeakPolarHBondContact O-CG 3.44Å; E837-R841 PolarHBondContact O-N 3.47Å
838	I	71.7	Confident	62	Low	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-48.1	-178.5	-68.2	166	0	0	0	110.6	I539 M614 F654 I656 L834 W835 R841 I842	I539-I838 HydrophobicContact CD1-CG2 3.9Å; M614-I838 HydrophobicContact CE-CG2 3.86Å; M614-I838 HydrophobicContact SD-CG2 4.27Å; F654-I838 HydrophobicContact CE1-CG1 4.27Å; I656-I838 HydrophobicContact CD1-CD1 4.27Å; L834-I838 HydrophobicContact CD1-CD1 4.36Å; L834-I838 HydrophobicContact CG-CD1 4.05Å; L834-I838 VanDerWaalsContact O-CG1 3.29Å; L834-I838 WeakPolarHBondContact O-CG1 3.4Å; L834-I838 PolarHBondContact O-N 3.46Å; W835-I838 PolarHBondContact O-N 3.22Å; I838-R841 PolarHBondContact O-N 3.46Å; I838-I842 HydrophobicContact CG2-CD1 3.95Å; I838-I842 PolarHBondContact O-N 3.35Å
839	E	72.3	Confident	61.3	Low	13 Å²	13	61.6 Å²	61.6	6%	0.061	32%	0.319	C	S	.	.	H	α-helix	trans	-66	-40.7	179.8	-69.9	-175	155.4	0	0	112.4	S608 N610 F612 M614 W835 R841 I842 N843	S608-E839 WeakPolarHBondContact CB-OE1 3.13Å; S608-E839 PolarHBondContact OG-OE1 2.86Å; N610-E839 WeakPolarHBondContact CB-OE1 3.26Å; N610-E839 PolarHBondContact N-OE1 3.22Å; N610-E839 PolarHBondContact ND2-OE2 3.17Å; F612-E839 HydrophobicContact CD2-CG 4.18Å; M614-E839 HydrophobicContact CE-CG 4.5Å; W835-E839 WeakPolarHBondContact O-CG 3.32Å; W835-E839 PolarHBondContact O-N 2.94Å; E839-R841 VanDerWaalsContact C-N 3.27Å; E839-R841 PolarHBondContact O-N 2.9Å; E839-I842 PolarHBondContact O-N 3.03Å; E839-N843 PolarHBondContact O-N 3.29Å
840	H	70.9	Confident	59.7	Low	127 Å²	127	65.6 Å²	65.6	59%	0.588	34%	0.34	S	S	*	.	H	α-helix	trans	-60.5	-38.6	173.7	-177	-70.2	0	0	0	111.4	S836 Y844	S836-H840 VanDerWaalsContact O-CB 3.27Å; S836-H840 WeakPolarHBondContact O-CB 3.45Å; S836-H840 PolarHBondContact O-N 2.83Å; H840-Y844 WeakPolarHBondContact O-CB 3.47Å; H840-Y844 PolarHBondContact O-N 3.42Å
841	R	65.5	Low	58.3	Low	90 Å²	90	69.5 Å²	69.5	34%	0.34	35%	0.354	S	S	.	.	H	α-helix	trans	-68.3	-40.7	176.7	-75.5	-71.4	174.2	-160.9	-4	112.7	F654 E837 I838 E839 Y844 T845	F654-R841 HydrophobicContact CE2-CB 4.41Å; F654-R841 HydrophobicContact CE2-CG 4.39Å; E837-R841 WeakPolarHBondContact O-CB 3.29Å; E837-R841 VanDerWaalsContact O-CG 3.32Å; E837-R841 WeakPolarHBondContact O-CG 3.44Å; E837-R841 PolarHBondContact O-N 3.47Å; I838-R841 PolarHBondContact O-N 3.46Å; E839-R841 VanDerWaalsContact C-N 3.27Å; E839-R841 PolarHBondContact O-N 2.9Å; R841-Y844 PolarHBondContact O-N 2.69Å; R841-T845 PolarHBondContact O-N 2.78Å; R841-T845 PolarHBondContact O-OG1 3.07Å; R841-T845 VanDerWaalsContact O-OG1 3.06Å
842	I	64.2	Low	57.1	Low	6 Å²	6	75.5 Å²	75.5	3%	0.031	39%	0.385	C	S	.	.	H	α-helix	trans	-63.7	-44.7	175.3	-73.5	164.8	0	0	0	111.1	T537 F612 M614 I838 E839 Y844 T845 C846	T537-I842 HydrophobicContact CG2-CD1 4.06Å; T537-I842 HydrophobicContact CG2-CG1 4.01Å; F612-I842 HydrophobicContact CD1-CG2 3.9Å; F612-I842 HydrophobicContact CE1-CG2 4.22Å; F612-I842 HydrophobicContact CG-CG2 4.43Å; M614-I842 HydrophobicContact CE-CD1 3.48Å; M614-I842 VanDerWaalsContact CE-CD1 3.48Å; M614-I842 HydrophobicContact CG-CD1 4.44Å; M614-I842 HydrophobicContact SD-CD1 4.41Å; I838-I842 HydrophobicContact CG2-CD1 3.95Å; I838-I842 PolarHBondContact O-N 3.35Å; E839-I842 PolarHBondContact O-N 3.03Å; I842-Y844 VanDerWaalsContact C-N 3.3Å; I842-Y844 PolarHBondContact O-N 3.05Å; I842-T845 WeakPolarHBondContact CA-OG1 3.36Å; I842-T845 PolarHBondContact O-N 3.32Å; I842-T845 PolarHBondContact O-OG1 3.42Å; I842-C846 WeakPolarHBondContact O-CB 3.41Å; I842-C846 PolarHBondContact O-N 3.06Å; I842-C846 PolarHBondContact O-SG 2.96Å; I842-C846 VanDerWaalsContact O-SG 3.35Å
843	N	58.3	Low	56.1	Low	66 Å²	66	74.4 Å²	74.4	35%	0.353	38%	0.384	S	S	.	.	H	α-helix	trans	-59.7	-40.5	173.6	-87.4	-40.7	0	0	0	112.2	F612 E839 C846 Q847	F612-N843 WeakPolarHBondContact CZ-OD1 3.33Å; E839-N843 PolarHBondContact O-N 3.29Å; N843-C846 PolarHBondContact O-N 3.22Å; N843-Q847 WeakPolarHBondContact O-CB 3.02Å; N843-Q847 VanDerWaalsContact O-CG 3.26Å; N843-Q847 WeakPolarHBondContact O-CG 3.3Å; N843-Q847 PolarHBondContact O-N 2.91Å
844	Y	55.7	Low	55.3	Low	123 Å²	123	77.8 Å²	77.8	48%	0.482	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-46.6	176.3	-171.4	-90.9	0	0	0	112	H840 R841 I842 C846 Q847 T848	H840-Y844 WeakPolarHBondContact O-CB 3.47Å; H840-Y844 PolarHBondContact O-N 3.42Å; R841-Y844 PolarHBondContact O-N 2.69Å; I842-Y844 VanDerWaalsContact C-N 3.3Å; I842-Y844 PolarHBondContact O-N 3.05Å; Y844-C846 PolarHBondContact O-N 3.32Å; Y844-Q847 PolarHBondContact O-N 3.44Å; Y844-T848 HydrophobicContact CD1-CG2 4.28Å; Y844-T848 HydrophobicContact CE1-CG2 3.89Å; Y844-T848 PolarHBondContact O-N 3.34Å; Y844-T848 PolarHBondContact O-OG1 2.94Å
845	T	49.6	Very low	54.5	Low	62 Å²	62	80.5 Å²	80.5	38%	0.38	41%	0.411	S	S	.	.	H	α-helix	trans	-63.2	-41.4	175.5	36.4	0	0	0	0	112	R841 I842 T848 S849	R841-T845 PolarHBondContact O-N 2.78Å; R841-T845 PolarHBondContact O-OG1 3.07Å; R841-T845 VanDerWaalsContact O-OG1 3.06Å; I842-T845 WeakPolarHBondContact CA-OG1 3.36Å; I842-T845 PolarHBondContact O-N 3.32Å; I842-T845 PolarHBondContact O-OG1 3.42Å; T845-T848 WeakPolarHBondContact CA-OG1 3.06Å; T845-T848 PolarHBondContact O-N 3.04Å; T845-T848 PolarHBondContact O-OG1 3.19Å; T845-T848 VanDerWaalsContact O-OG1 3.08Å; T845-S849 WeakPolarHBondContact O-CB 3.35Å; T845-S849 PolarHBondContact O-N 3.04Å; T845-S849 PolarHBondContact O-OG 3.38Å
846	C	41.4	Very low	53.9	Low	40 Å²	40	81.6 Å²	81.6	27%	0.27	42%	0.42	S	S	.	.	H	α-helix	trans	-60	-47.4	172.9	-72.2	0	0	0	0	112.1	I842 N843 Y844 T848 S849 N850	I842-C846 WeakPolarHBondContact O-CB 3.41Å; I842-C846 PolarHBondContact O-N 3.06Å; I842-C846 PolarHBondContact O-SG 2.96Å; I842-C846 VanDerWaalsContact O-SG 3.35Å; N843-C846 PolarHBondContact O-N 3.22Å; Y844-C846 PolarHBondContact O-N 3.32Å; C846-T848 VanDerWaalsContact C-N 3.32Å; C846-T848 PolarHBondContact O-N 3.49Å; C846-S849 CarbonylContact O-C 3.53Å; C846-S849 PolarHBondContact O-N 2.87Å; C846-S849 VanDerWaalsContact O-N 3.09Å; C846-S849 PolarHBondContact O-OG 2.95Å; C846-N850 VanDerWaalsContact O-CG 3.26Å; C846-N850 PolarHBondContact O-N 3.39Å; C846-N850 PolarHBondContact O-OD1 3.19Å
847	Q	37.2	Very low	53.6	Low	135 Å²	135	87.1 Å²	87.1	63%	0.631	44%	0.435	S	S	*	.	H	α-helix	trans	-64.8	-32.6	178.9	-73.3	175.3	7.3	0	0	113.3	N843 Y844	N843-Q847 WeakPolarHBondContact O-CB 3.02Å; N843-Q847 VanDerWaalsContact O-CG 3.26Å; N843-Q847 WeakPolarHBondContact O-CG 3.3Å; N843-Q847 PolarHBondContact O-N 2.91Å; Y844-Q847 PolarHBondContact O-N 3.44Å
848	T	39.7	Very low	53.4	Low	95 Å²	95	85.2 Å²	85.2	58%	0.583	43%	0.429	S	S	*	.	H	α-helix	trans	-82.2	-13.5	173.3	56.5	0	0	0	0	114.4	Y844 T845 C846	Y844-T848 HydrophobicContact CD1-CG2 4.28Å; Y844-T848 HydrophobicContact CE1-CG2 3.89Å; Y844-T848 PolarHBondContact O-N 3.34Å; Y844-T848 PolarHBondContact O-OG1 2.94Å; T845-T848 WeakPolarHBondContact CA-OG1 3.06Å; T845-T848 PolarHBondContact O-N 3.04Å; T845-T848 PolarHBondContact O-OG1 3.19Å; T845-T848 VanDerWaalsContact O-OG1 3.08Å; C846-T848 VanDerWaalsContact C-N 3.32Å; C846-T848 PolarHBondContact O-N 3.49Å
849	S	42	Very low	53.4	Low	74 Å²	74	87 Å²	87	52%	0.517	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	16.1	176.4	58.3	0	0	0	0	113.5	T845 C846 K851	T845-S849 WeakPolarHBondContact O-CB 3.35Å; T845-S849 PolarHBondContact O-N 3.04Å; T845-S849 PolarHBondContact O-OG 3.38Å; C846-S849 CarbonylContact O-C 3.53Å; C846-S849 PolarHBondContact O-N 2.87Å; C846-S849 VanDerWaalsContact O-N 3.09Å; C846-S849 PolarHBondContact O-OG 2.95Å; S849-K851 PolarHBondContact O-N 2.88Å
850	N	30.1	Very low	53.2	Low	112 Å²	112	90.2 Å²	90.2	60%	0.599	45%	0.45	S	S	*	.			trans	-72.3	47.8	-175.6	-102	-6	0	0	0	114.9	C846	C846-N850 VanDerWaalsContact O-CG 3.26Å; C846-N850 PolarHBondContact O-N 3.39Å; C846-N850 PolarHBondContact O-OD1 3.19Å
851	K	36.8	Very low	53.1	Low	159 Å²	159	87 Å²	87	69%	0.691	44%	0.442	S	S	*	.	S	Bend	trans	-114.8	99	145	-80.5	-173.9	179.4	179.2	0	105.7	E442 S849 C853	E442-K851 IonicContact OE2-NZ 3.23Å; E442-K851 PolarHBondContact OE2-NZ 3.04Å; S849-K851 PolarHBondContact O-N 2.88Å; K851-C853 PolarHBondContact O-N 2.92Å
852	D	42.6	Very low	53.6	Low	136 Å²	136	82.7 Å²	82.7	73%	0.727	43%	0.426	S	S	*	.			trans	-49.1	122.9	-179.2	-74.6	-49.6	0	0	0	111.3	F854	D852-F854 PolarHBondContact O-N 3.44Å
853	C	44.5	Very low	53.9	Low	63 Å²	63	82.7 Å²	82.7	43%	0.426	43%	0.426	S	S	.	.			trans	-64.3	108.5	173.3	-173.4	0	0	0	0	108.2	K851 I855	K851-C853 PolarHBondContact O-N 2.92Å; C853-I855 PolarHBondContact O-N 3.37Å
854	F	50.7	Low	54.4	Low	175 Å²	175	81.8 Å²	81.8	77%	0.768	42%	0.423	S	S	*	.			trans	-73.7	89	-167.2	-158.4	-84	0	0	0	111.5	D852 P856	D852-F854 PolarHBondContact O-N 3.44Å; F854-P856 WeakPolarHBondContact O-CD 3.44Å
855	I	57.7	Low	55.2	Low	59 Å²	59	79.3 Å²	79.3	30%	0.303	41%	0.413	S	S	.	.			trans	-71.3	125.9	176.2	-54.5	173.9	0	0	0	109	C853 K857 W859 Y920	C853-I855 PolarHBondContact O-N 3.37Å; I855-K857 PolarHBondContact O-N 2.81Å; I855-W859 HydrophobicContact CG2-CB 3.78Å; I855-Y920 HydrophobicContact CD1-CE1 4.04Å; I855-Y920 WeakPolarHBondContact CD1-OH 3.36Å; I855-Y920 HydrophobicContact CG1-CE1 4.21Å; I855-Y920 WeakPolarHBondContact CG1-OH 3.33Å
856	P	61	Low	56.2	Low	37 Å²	37	77.1 Å²	77.1	24%	0.24	40%	0.399	C	S	.	.			trans	-57.1	138.7	172.9	-24.4	34.3	0	0	0	111.8	F854 S858 W859 H860	F854-P856 WeakPolarHBondContact O-CD 3.44Å; P856-S858 PolarHBondContact O-N 3.4Å; P856-S858 VanDerWaalsContact O-N 3.11Å; P856-W859 HydrophobicContact CB-CB 4.45Å; P856-W859 HydrophobicContact CB-CG 4.09Å; P856-W859 HydrophobicContact CG-CD2 4.07Å; P856-W859 HydrophobicContact CG-CG 4.06Å; P856-W859 WeakPolarHBondContact O-CB 3.46Å; P856-W859 PolarHBondContact O-N 2.99Å; P856-H860 PolarHBondContact O-N 3.28Å
857	K	63.2	Low	57.3	Low	191 Å²	191	80.5 Å²	80.5	83%	0.83	41%	0.407	S	S	*	.	H	α-helix	trans	-53.6	-36.3	179.6	-71.6	-171	175.9	-173.2	0	112.9	I855 H860 S861	I855-K857 PolarHBondContact O-N 2.81Å; K857-H860 WeakPolarHBondContact O-CB 3.39Å; K857-H860 PolarHBondContact O-N 2.99Å; K857-S861 PolarHBondContact O-N 2.7Å; K857-S861 PolarHBondContact O-OG 3.09Å
858	S	66	Low	58.6	Low	25 Å²	25	79.2 Å²	79.2	18%	0.175	40%	0.404	C	S	.	.	H	α-helix	trans	-66	-33.2	176.1	47.4	0	0	0	0	113.9	P856 S861 L862 M909 K910	P856-S858 PolarHBondContact O-N 3.4Å; P856-S858 VanDerWaalsContact O-N 3.11Å; S858-S861 WeakPolarHBondContact O-CB 3.49Å; S858-S861 PolarHBondContact O-N 2.98Å; S858-L862 PolarHBondContact O-N 2.53Å; S858-M909 WeakPolarHBondContact CB-O 3.31Å; S858-K910 WeakPolarHBondContact CB-O 3.25Å; S858-K910 PolarHBondContact OG-O 3.49Å
859	W	72.7	Confident	59.7	Low	39 Å²	39	81.2 Å²	81.2	15%	0.148	41%	0.405	C	S	.	.	H	α-helix	trans	-68.7	-39.2	173.7	-69.1	21.8	0	0	0	110.9	I855 P856 S861 L862 V863 D916 C917 Y920 Y921	I855-W859 HydrophobicContact CG2-CB 3.78Å; P856-W859 HydrophobicContact CB-CB 4.45Å; P856-W859 HydrophobicContact CB-CG 4.09Å; P856-W859 HydrophobicContact CG-CD2 4.07Å; P856-W859 HydrophobicContact CG-CG 4.06Å; P856-W859 WeakPolarHBondContact O-CB 3.46Å; P856-W859 PolarHBondContact O-N 2.99Å; W859-S861 VanDerWaalsContact C-N 3.33Å; W859-S861 PolarHBondContact O-N 2.87Å; W859-L862 WeakPolarHBondContact O-CB 3.39Å; W859-L862 PolarHBondContact O-N 3.39Å; W859-V863 PolarHBondContact O-N 2.87Å; W859-D916 HydrophobicContact CH2-CB 4Å; W859-D916 HydrophobicContact CZ2-CB 4.12Å; W859-C917 HydrophobicContact CD2-CB 3.87Å; W859-C917 HydrophobicContact CE3-CB 4.37Å; W859-C917 HydrophobicContact CG-CB 4.15Å; W859-C917 VanDerWaalsContact CG-SG 3.52Å; W859-C917 HydrophobicContact CZ2-CB 4.1Å; W859-Y920 HydrophobicContact CE3-CD1 4.03Å; W859-Y920 HydrophobicContact CE3-CG 4.21Å; W859-Y920 HydrophobicContact CZ3-CD1 4.11Å; W859-Y920 HydrophobicContact CZ3-CD2 4.34Å; W859-Y920 AromaticContact CZ3-CG 3.81Å; W859-Y920 HydrophobicContact CZ3-CG 3.81Å; W859-Y921 HydrophobicContact CB-CE2 4.37Å; W859-Y921 WeakPolarHBondContact O-CE2 3.42Å; W859-Y921 PolarHBondContact O-OH 2.92Å
860	H	66.8	Low	60.9	Low	81 Å²	81	77.8 Å²	77.8	38%	0.375	38%	0.38	S	S	.	.	H	α-helix	trans	-62	-40.7	173.9	-170.2	103.1	0	0	0	111.6	P856 K857 L862 V863 V864	P856-H860 PolarHBondContact O-N 3.28Å; K857-H860 WeakPolarHBondContact O-CB 3.39Å; K857-H860 PolarHBondContact O-N 2.99Å; H860-L862 VanDerWaalsContact C-N 3.29Å; H860-L862 PolarHBondContact O-N 3.41Å; H860-V863 PolarHBondContact O-N 2.97Å; H860-V863 VanDerWaalsContact O-N 3.14Å; H860-V864 PolarHBondContact O-N 3.2Å; H860-V864 VanDerWaalsContact O-N 3.08Å
861	S	69.6	Low	62.2	Low	59 Å²	59	76.3 Å²	76.3	41%	0.413	37%	0.368	S	S	.	.	H	α-helix	trans	-56.8	-38.8	174.9	-59.8	0	0	0	0	113	K857 S858 W859 V864 Y865	K857-S861 PolarHBondContact O-N 2.7Å; K857-S861 PolarHBondContact O-OG 3.09Å; S858-S861 WeakPolarHBondContact O-CB 3.49Å; S858-S861 PolarHBondContact O-N 2.98Å; W859-S861 VanDerWaalsContact C-N 3.33Å; W859-S861 PolarHBondContact O-N 2.87Å; S861-V864 PolarHBondContact O-N 2.87Å; S861-Y865 WeakPolarHBondContact O-CB 3.32Å; S861-Y865 PolarHBondContact O-N 3.46Å
862	L	75.5	Confident	63.4	Low	0 Å²	0	74 Å²	74	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.6	-45.4	175.1	-176.8	67	0	0	0	111.9	S858 W859 H860 Y865 V866 F905 F906 M909 I911 C917 L918 F927	S858-L862 PolarHBondContact O-N 2.53Å; W859-L862 WeakPolarHBondContact O-CB 3.39Å; W859-L862 PolarHBondContact O-N 3.39Å; H860-L862 VanDerWaalsContact C-N 3.29Å; H860-L862 PolarHBondContact O-N 3.41Å; L862-Y865 PolarHBondContact O-N 2.83Å; L862-V866 HydrophobicContact CG-CG2 4.48Å; L862-V866 VanDerWaalsContact O-CG2 3.32Å; L862-V866 WeakPolarHBondContact O-CG2 3.34Å; L862-V866 PolarHBondContact O-N 2.92Å; L862-F905 HydrophobicContact CD1-CE1 3.84Å; L862-F905 HydrophobicContact CD1-CZ 4.25Å; L862-F906 HydrophobicContact CD1-CE1 4.01Å; L862-F906 HydrophobicContact CD2-CE1 4.29Å; L862-M909 HydrophobicContact CB-SD 4.38Å; L862-M909 HydrophobicContact CD1-SD 4.12Å; L862-I911 HydrophobicContact CB-CD1 3.86Å; L862-I911 HydrophobicContact CD1-CD1 4.42Å; L862-I911 HydrophobicContact CD2-CD1 4.38Å; L862-I911 HydrophobicContact CG-CD1 4.44Å; L862-C917 VanDerWaalsContact CD2-SG 3.58Å; L862-L918 HydrophobicContact CD2-CD2 4.17Å; L862-F927 HydrophobicContact CD2-CZ 4.46Å
863	V	70.3	Confident	64.3	Low	5 Å²	5	71.5 Å²	71.5	3%	0.03	35%	0.351	C	S	.	.	H	α-helix	trans	-69.1	-35.2	-178.9	137.2	0	0	0	0	112.8	W859 H860 V866 R867 Y921 Q926 F927	W859-V863 PolarHBondContact O-N 2.87Å; H860-V863 PolarHBondContact O-N 2.97Å; H860-V863 VanDerWaalsContact O-N 3.14Å; V863-V866 PolarHBondContact O-N 2.89Å; V863-R867 VanDerWaalsContact O-CB 3.32Å; V863-R867 WeakPolarHBondContact O-CB 3.5Å; V863-R867 PolarHBondContact O-N 3.5Å; V863-Y921 HydrophobicContact CB-CE1 4.16Å; V863-Y921 HydrophobicContact CB-CE2 4.31Å; V863-Y921 HydrophobicContact CG2-CD1 3.59Å; V863-Y921 HydrophobicContact CG2-CD2 3.9Å; V863-Y921 HydrophobicContact CG2-CE1 3.4Å; V863-Y921 VanDerWaalsContact CG2-CE1 3.4Å; V863-Y921 HydrophobicContact CG2-CE2 3.7Å; V863-Y921 HydrophobicContact CG2-CG 3.85Å; V863-Y921 VanDerWaalsContact CG2-CZ 3.44Å; V863-Q926 VanDerWaalsContact CG2-OE1 3.26Å; V863-F927 HydrophobicContact CG2-CE1 4.28Å
864	V	69.8	Low	65.4	Low	48 Å²	48	70.9 Å²	70.9	29%	0.291	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-45.9	171.4	174.9	0	0	0	0	110	H860 S861 V866 R867 D868	H860-V864 PolarHBondContact O-N 3.2Å; H860-V864 VanDerWaalsContact O-N 3.08Å; S861-V864 PolarHBondContact O-N 2.87Å; V864-V866 PolarHBondContact O-N 2.81Å; V864-R867 PolarHBondContact O-N 2.84Å; V864-D868 WeakPolarHBondContact CG1-OD2 3.32Å; V864-D868 WeakPolarHBondContact O-CB 3.21Å; V864-D868 VanDerWaalsContact O-CG 3.29Å; V864-D868 PolarHBondContact O-N 2.87Å
865	Y	72.6	Confident	66.2	Low	71 Å²	71	63.9 Å²	63.9	28%	0.278	31%	0.311	S	S	.	.	H	α-helix	trans	-62.7	-42.5	176.5	-174.2	-90.1	0	0	0	113.1	S861 L862 R867 D868 K869 L870 L901 F905 M909	S861-Y865 WeakPolarHBondContact O-CB 3.32Å; S861-Y865 PolarHBondContact O-N 3.46Å; L862-Y865 PolarHBondContact O-N 2.83Å; Y865-R867 VanDerWaalsContact C-N 3.31Å; Y865-R867 PolarHBondContact O-N 3.22Å; Y865-D868 PolarHBondContact O-N 3.33Å; Y865-K869 HydrophobicContact CD1-CB 4.32Å; Y865-K869 HydrophobicContact CD2-CB 4.08Å; Y865-K869 HydrophobicContact CD2-CG 3.81Å; Y865-K869 HydrophobicContact CE1-CB 4.14Å; Y865-K869 HydrophobicContact CE2-CB 3.9Å; Y865-K869 HydrophobicContact CE2-CG 3.73Å; Y865-K869 HydrophobicContact CG-CB 4.29Å; Y865-K869 HydrophobicContact CG-CG 4.41Å; Y865-K869 WeakPolarHBondContact O-CA 3.45Å; Y865-K869 WeakPolarHBondContact O-CB 3.35Å; Y865-K869 PolarHBondContact O-N 3.16Å; Y865-L870 HydrophobicContact CD1-CD1 3.89Å; Y865-L870 HydrophobicContact CD1-CD2 4.46Å; Y865-L870 HydrophobicContact CD1-CG 3.85Å; Y865-L870 HydrophobicContact CE1-CD1 3.84Å; Y865-L870 HydrophobicContact CE1-CD2 3.74Å; Y865-L870 HydrophobicContact CE1-CG 3.64Å; Y865-L870 PolarHBondContact O-N 3.32Å; Y865-L901 HydrophobicContact CE1-CD2 4.37Å; Y865-F905 AromaticContact CD1-CE2 3.94Å; Y865-F905 HydrophobicContact CD1-CE2 3.94Å; Y865-F905 AromaticContact CD1-CZ 3.56Å; Y865-F905 HydrophobicContact CD1-CZ 3.56Å; Y865-F905 HydrophobicContact CD2-CE2 4.33Å; Y865-F905 AromaticContact CE1-CE2 3.53Å; Y865-F905 HydrophobicContact CE1-CE2 3.53Å; Y865-F905 AromaticContact CE1-CZ 3.53Å; Y865-F905 HydrophobicContact CE1-CZ 3.53Å; Y865-F905 AromaticContact CE2-CE2 3.95Å; Y865-F905 HydrophobicContact CE2-CE2 3.95Å; Y865-F905 HydrophobicContact CG-CE2 4.32Å; Y865-F905 HydrophobicContact CG-CZ 4.09Å; Y865-F905 AromaticContact CZ-CE2 3.54Å; Y865-M909 HydrophobicContact CD1-CE 4.24Å; Y865-M909 HydrophobicContact CD2-CE 3.7Å; Y865-M909 HydrophobicContact CE2-CE 4.41Å; Y865-M909 HydrophobicContact CG-CE 3.6Å
866	V	70.2	Confident	67	Low	15 Å²	15	61.1 Å²	61.1	9%	0.091	30%	0.297	C	S	.	.	I	π-helix	trans	-57.1	-46.6	173.4	166.3	0	0	0	0	110.8	L862 V863 V864 L870 K871 F927 L942	L862-V866 HydrophobicContact CG-CG2 4.48Å; L862-V866 VanDerWaalsContact O-CG2 3.32Å; L862-V866 WeakPolarHBondContact O-CG2 3.34Å; L862-V866 PolarHBondContact O-N 2.92Å; V863-V866 PolarHBondContact O-N 2.89Å; V864-V866 PolarHBondContact O-N 2.81Å; V866-L870 HydrophobicContact CG2-CD1 4.07Å; V866-L870 CarbonylContact O-C 3.48Å; V866-L870 PolarHBondContact O-N 3.2Å; V866-K871 PolarHBondContact O-N 2.91Å; V866-K871 VanDerWaalsContact O-N 3.08Å; V866-F927 HydrophobicContact CG1-CD1 4.27Å; V866-F927 HydrophobicContact CG2-CD1 4.37Å; V866-F927 HydrophobicContact CG2-CE1 4.23Å; V866-L942 HydrophobicContact CG1-CD2 3.94Å; V866-L942 HydrophobicContact CG2-CD2 4.43Å
867	R	64.1	Low	67.7	Low	112 Å²	112	63 Å²	63	42%	0.423	30%	0.301	S	S	.	.	I	π-helix	trans	-67.1	-37.3	-178.8	-174.6	-176.4	-61.6	149.2	6.9	113.6	V863 V864 Y865 K871	V863-R867 VanDerWaalsContact O-CB 3.32Å; V863-R867 WeakPolarHBondContact O-CB 3.5Å; V863-R867 PolarHBondContact O-N 3.5Å; V864-R867 PolarHBondContact O-N 2.84Å; Y865-R867 VanDerWaalsContact C-N 3.31Å; Y865-R867 PolarHBondContact O-N 3.22Å; R867-K871 WeakPolarHBondContact O-CB 3.31Å
868	D	64.4	Low	68.3	Low	107 Å²	107	54.1 Å²	54.1	57%	0.572	26%	0.263	S	S	*	.	I	π-helix	trans	-101.4	-31.2	-168.5	-63.2	-7.9	0	0	0	113.1	V864 Y865	V864-D868 WeakPolarHBondContact CG1-OD2 3.32Å; V864-D868 WeakPolarHBondContact O-CB 3.21Å; V864-D868 VanDerWaalsContact O-CG 3.29Å; V864-D868 PolarHBondContact O-N 2.87Å; Y865-D868 PolarHBondContact O-N 3.33Å
869	K	63.1	Low	68.6	Low	138 Å²	138	56.6 Å²	56.6	60%	0.6	27%	0.274	S	S	*	.	I	π-helix	trans	-111.5	-37	-175.3	-63.3	-65	-174.1	177.3	0	113.5	Y865	Y865-K869 HydrophobicContact CD1-CB 4.32Å; Y865-K869 HydrophobicContact CD2-CB 4.08Å; Y865-K869 HydrophobicContact CD2-CG 3.81Å; Y865-K869 HydrophobicContact CE1-CB 4.14Å; Y865-K869 HydrophobicContact CE2-CB 3.9Å; Y865-K869 HydrophobicContact CE2-CG 3.73Å; Y865-K869 HydrophobicContact CG-CB 4.29Å; Y865-K869 HydrophobicContact CG-CG 4.41Å; Y865-K869 WeakPolarHBondContact O-CA 3.45Å; Y865-K869 WeakPolarHBondContact O-CB 3.35Å; Y865-K869 PolarHBondContact O-N 3.16Å
870	L	66.8	Low	68.3	Low	1 Å²	1	58.3 Å²	58.3	1%	0.005	29%	0.286	C	S	.	.	I	π-helix	trans	-95.7	-9.4	-175.5	-53.7	-179.7	0	0	0	114.4	Y865 V866 P872 Y873 V876 L899 L901 L942	Y865-L870 HydrophobicContact CD1-CD1 3.89Å; Y865-L870 HydrophobicContact CD1-CD2 4.46Å; Y865-L870 HydrophobicContact CD1-CG 3.85Å; Y865-L870 HydrophobicContact CE1-CD1 3.84Å; Y865-L870 HydrophobicContact CE1-CD2 3.74Å; Y865-L870 HydrophobicContact CE1-CG 3.64Å; Y865-L870 PolarHBondContact O-N 3.32Å; V866-L870 HydrophobicContact CG2-CD1 4.07Å; V866-L870 CarbonylContact O-C 3.48Å; V866-L870 PolarHBondContact O-N 3.2Å; L870-P872 VanDerWaalsContact C-N 3.27Å; L870-P872 WeakPolarHBondContact O-CD 3.41Å; L870-Y873 PolarHBondContact O-N 3.23Å; L870-V876 HydrophobicContact CD2-CG2 4.49Å; L870-L899 HydrophobicContact CD2-CD1 3.79Å; L870-L899 HydrophobicContact CD2-CD2 3.63Å; L870-L899 HydrophobicContact CD2-CG 4.39Å; L870-L901 HydrophobicContact CD1-CD1 4.02Å; L870-L942 HydrophobicContact CB-CD1 3.43Å; L870-L942 VanDerWaalsContact CB-CD1 3.43Å; L870-L942 HydrophobicContact CD1-CD1 4.35Å; L870-L942 HydrophobicContact CG-CD1 4.49Å; L870-L942 WeakPolarHBondContact O-CD1 3.44Å
871	K	57.7	Low	67.7	Low	81 Å²	81	56.6 Å²	56.6	35%	0.352	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.5	-36.6	176	-175	-179.6	176.5	-169.2	0	116	S578 V866 R867 Y873 H943	S578-K871 PolarHBondContact O-NZ 3.05Å; S578-K871 VanDerWaalsContact O-NZ 3.1Å; V866-K871 PolarHBondContact O-N 2.91Å; V866-K871 VanDerWaalsContact O-N 3.08Å; R867-K871 WeakPolarHBondContact O-CB 3.31Å; K871-Y873 VanDerWaalsContact C-N 3.26Å; K871-Y873 PolarHBondContact O-N 2.84Å; K871-H943 PolarHBondContact O-NE2 3.41Å
872	P	62.5	Low	66.1	Low	111 Å²	111	59.4 Å²	59.4	72%	0.721	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.4	177.4	-21	34.5	0	0	0	114.9	L870	L870-P872 VanDerWaalsContact C-N 3.27Å; L870-P872 WeakPolarHBondContact O-CD 3.41Å
873	Y	62.1	Low	63.9	Low	83 Å²	83	63.1 Å²	63.1	33%	0.325	35%	0.349	S	S	.	.			trans	-98.6	133.2	-173.8	-58.4	-87.8	0	0	0	110.8	L870 K871 L899 H943	L870-Y873 PolarHBondContact O-N 3.23Å; K871-Y873 VanDerWaalsContact C-N 3.26Å; K871-Y873 PolarHBondContact O-N 2.84Å; Y873-L899 HydrophobicContact CD1-CB 4.2Å; Y873-L899 HydrophobicContact CD2-CD1 4.18Å; Y873-L899 HydrophobicContact CE1-CB 3.95Å; Y873-L899 HydrophobicContact CE1-CD1 4.43Å; Y873-L899 HydrophobicContact CE2-CB 4.48Å; Y873-L899 HydrophobicContact CE2-CD1 3.59Å; Y873-H943 PolarHBondContact O-CD2 3.13Å
874	F	65.8	Low	62	Low	51 Å²	51	71.8 Å²	71.8	22%	0.224	39%	0.388	C	S	.	.	S	Bend	trans	-68.3	-43.1	171.9	168.8	-119.8	0	0	0	111.7	I941 L942 H943 V946 F947 I950	F874-I941 HydrophobicContact CE2-CG2 4.02Å; F874-I941 HydrophobicContact CZ-CG2 4.18Å; F874-L942 PolarHBondContact O-N 3.5Å; F874-H943 HydrophobicContact CD2-CB 4.21Å; F874-V946 HydrophobicContact CD2-CB 3.7Å; F874-V946 HydrophobicContact CD2-CG1 3.52Å; F874-V946 HydrophobicContact CE2-CB 3.6Å; F874-V946 HydrophobicContact CE2-CG1 3.51Å; F874-V946 HydrophobicContact CG-CG1 4.28Å; F874-V946 HydrophobicContact CZ-CG1 4.22Å; F874-F947 HydrophobicContact CE2-CB 4.16Å; F874-F947 HydrophobicContact CZ-CB 4.15Å; F874-I950 HydrophobicContact CE1-CD1 4.14Å; F874-I950 HydrophobicContact CZ-CD1 3.91Å
875	M	68.2	Low	59.9	Low	27 Å²	27	76.7 Å²	76.7	13%	0.133	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	142.3	-173.2	-170.1	175	69.4	0	0	109.6	Y939 L940 I941 I1004	M875-Y939 HydrophobicContact CE-CD1 3.46Å; M875-Y939 VanDerWaalsContact CE-CD1 3.46Å; M875-Y939 HydrophobicContact CE-CD2 4.47Å; M875-Y939 HydrophobicContact CE-CE1 3.64Å; M875-Y939 HydrophobicContact CE-CG 3.9Å; M875-Y939 HydrophobicContact CG-CD1 3.98Å; M875-Y939 HydrophobicContact CG-CG 4.24Å; M875-Y939 HydrophobicContact SD-CD1 3.79Å; M875-Y939 HydrophobicContact SD-CD2 4.44Å; M875-Y939 HydrophobicContact SD-CG 3.72Å; M875-L940 CarbonylContact C-O 3.52Å; M875-L940 VanDerWaalsContact CA-O 3.31Å; M875-L940 WeakPolarHBondContact CA-O 3.32Å; M875-I941 HydrophobicContact CG-CG1 4.01Å; M875-I941 HydrophobicContact SD-CG1 4.05Å; M875-I1004 HydrophobicContact CE-CB 4.28Å; M875-I1004 HydrophobicContact CE-CD1 3.62Å; M875-I1004 HydrophobicContact CE-CG1 3.71Å; M875-I1004 HydrophobicContact CE-CG2 3.57Å
876	V	74.5	Confident	57.8	Low	1 Å²	1	81 Å²	81	1%	0.006	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.7	-177.6	166.6	0	0	0	0	108.9	L870 L899 L901 Y939 L940 L942	L870-V876 HydrophobicContact CD2-CG2 4.49Å; V876-L899 HydrophobicContact CG1-CD2 3.71Å; V876-L899 HydrophobicContact CG2-CD2 4.09Å; V876-L901 HydrophobicContact CG1-CB 4.48Å; V876-L901 HydrophobicContact CG1-CD1 3.83Å; V876-L901 HydrophobicContact CG1-CG 3.65Å; V876-Y939 WeakPolarHBondContact O-CA 3.43Å; V876-L940 HydrophobicContact CB-CB 4.46Å; V876-L940 PolarHBondContact N-O 3.11Å; V876-L940 PolarHBondContact O-N 3.29Å; V876-L942 HydrophobicContact CG2-CD1 3.63Å; V876-L942 HydrophobicContact CG2-CG 4.38Å
877	K	75.8	Confident	55.8	Low	77 Å²	77	89.3 Å²	89.3	34%	0.335	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	139.1	178.1	-170.5	-172.2	174.9	-154.5	0	109.7	L899 T900 L901 Y939	K877-L899 PolarHBondContact N-O 2.82Å; K877-T900 HydrophobicContact CB-CG2 4.21Å; K877-T900 HydrophobicContact CD-CG2 4.26Å; K877-T900 HydrophobicContact CG-CG2 4.33Å; K877-T900 CarbonylContact O-C 3.59Å; K877-T900 VanDerWaalsContact O-CA 3.31Å; K877-T900 WeakPolarHBondContact O-CA 3.31Å; K877-L901 PolarHBondContact O-N 2.92Å; K877-Y939 HydrophobicContact CB-CD1 4.43Å; K877-Y939 HydrophobicContact CB-CE1 4.34Å; K877-Y939 HydrophobicContact CG-CE1 4.34Å
878	L	76	Confident	54	Low	5 Å²	5	90.9 Å²	90.9	3%	0.026	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.5	173.8	-64.9	171	0	0	0	109	L880 L901 F906 L918 Y929 D938 L940	L878-L880 HydrophobicContact CB-CG 4.42Å; L878-L901 HydrophobicContact CD2-CB 4.22Å; L878-L901 HydrophobicContact CD2-CD1 4.35Å; L878-F906 HydrophobicContact CD2-CE2 4.27Å; L878-F906 HydrophobicContact CD2-CZ 4.13Å; L878-L918 HydrophobicContact CD1-CD1 3.81Å; L878-Y929 HydrophobicContact CD1-CD2 3.79Å; L878-Y929 HydrophobicContact CD1-CE2 3.39Å; L878-D938 PolarHBondContact N-O 3.06Å; L878-L940 HydrophobicContact CD1-CB 4.17Å; L878-L940 HydrophobicContact CD2-CB 4.3Å; L878-L940 HydrophobicContact CG-CB 4.17Å
879	D	73	Confident	52.1	Low	77 Å²	77	92.2 Å²	92.2	41%	0.412	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	85.6	174.8	-155.4	-24.9	0	0	0	110.6	G881 T900 L901 D902 K903	D879-G881 VanDerWaalsContact C-N 3.29Å; D879-G881 PolarHBondContact OD1-N 3.13Å; D879-T900 HydrophobicContact CB-CG2 3.7Å; D879-L901 PolarHBondContact N-O 2.94Å; D879-D902 WeakPolarHBondContact O-CA 3.46Å; D879-K903 PolarHBondContact O-N 3.08Å
880	L	65.2	Low	50.2	Low	74 Å²	74	90.5 Å²	90.5	39%	0.387	52%	0.517	S	S	.	.			trans	-96.2	24.1	-177.4	-58.2	175.9	0	0	0	111.9	L878 F906 I914	L878-L880 HydrophobicContact CB-CG 4.42Å; L880-F906 HydrophobicContact CD2-CD2 4.23Å; L880-F906 HydrophobicContact CD2-CE2 4.14Å; L880-I914 HydrophobicContact CD1-CG2 4.47Å; L880-I914 HydrophobicContact CD2-CD1 3.79Å; L880-I914 HydrophobicContact CD2-CG2 4.22Å
881	G	54.2	Low	48.2	Very low	46 Å²	46	95.8 Å²	95.8	47%	0.474	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-59.5	144.8	-174.6	0	0	0	0	0	114.6	D879	D879-G881 VanDerWaalsContact C-N 3.29Å; D879-G881 PolarHBondContact OD1-N 3.13Å
882	S	37.4	Very low	46.6	Very low	117 Å²	117	96.6 Å²	96.6	82%	0.818	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-71.3	128.2	171.4	53.5	0	0	0	0	110.7	Q884	S882-Q884 PolarHBondContact O-N 3.39Å
883	G	28.9	Very low	44.9	Very low	79 Å²	79	101.1 Å²	101.1	81%	0.814	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-57.4	122.1	-177.4	0	0	0	0	0	113.8
884	Q	30	Very low	43.3	Very low	186 Å²	186	105.3 Å²	105.3	87%	0.869	61%	0.605	S	S	*	*			trans	-125.9	142.7	146.5	-76.9	-161.4	-21.6	0	0	108.3	S882 N886	S882-Q884 PolarHBondContact O-N 3.39Å; Q884-N886 PolarHBondContact O-N 2.8Å
885	N	26.4	Very low	41.4	Very low	152 Å²	152	106.2 Å²	106.2	81%	0.813	63%	0.628	S	S	*	*			trans	-63.9	125.4	-170	-51.4	-24.8	0	0	0	110.9
886	N	27.3	Very low	39.6	Very low	160 Å²	160	112.3 Å²	112.3	86%	0.856	66%	0.661	S	S	*	*			trans	-130.6	96.8	153.3	-89.3	-22.2	0	0	0	107.3	Q884 D888	Q884-N886 PolarHBondContact O-N 2.8Å; N886-D888 PolarHBondContact O-N 3.1Å
887	E	27.7	Very low	38.2	Very low	190 Å²	190	118.1 Å²	118.1	89%	0.888	69%	0.693	S	S	*	*			trans	-71.4	79.1	167.6	-65.9	179.9	139.9	0	0	108.9
888	D	26.2	Very low	37	Very low	146 Å²	146	121.1 Å²	121.1	78%	0.781	71%	0.708	S	S	*	*			trans	-169.6	81.6	164.7	-104	-24.1	0	0	0	110.8	N886	N886-D888 PolarHBondContact O-N 3.1Å
889	C	25	Very low	36.5	Very low	134 Å²	134	122.8 Å²	122.8	91%	0.905	72%	0.716	S	S	*	*			trans	-147.4	35.6	169.8	-101	0	0	0	0	113.4	S891	C889-S891 PolarHBondContact O-N 2.77Å
890	S	24	Very low	36.2	Very low	103 Å²	103	122 Å²	122	72%	0.72	72%	0.715	S	S	*	*			trans	-85.2	101.7	165.3	57	0	0	0	0	111
891	S	25.2	Very low	36.7	Very low	111 Å²	111	118.7 Å²	118.7	78%	0.776	70%	0.697	S	S	*	*			trans	77.2	154.2	167.1	85.2	0	0	0	0	119.5	C889	C889-S891 PolarHBondContact O-N 2.77Å
892	S	23.8	Very low	37.8	Very low	98 Å²	98	119.8 Å²	119.8	69%	0.685	69%	0.692	S	S	*	*			trans	93.9	104.6	156.5	79.1	0	0	0	0	121.3
893	K	25.4	Very low	39.4	Very low	207 Å²	207	119.4 Å²	119.4	90%	0.9	68%	0.676	S	S	*	*			trans	42.5	95.7	134.9	-60.8	178.7	176.2	178.8	0	119.9
894	I	28.9	Very low	41.5	Very low	170 Å²	170	119.7 Å²	119.7	87%	0.872	66%	0.662	S	S	*	*			trans	-144.1	116	158.9	-48.5	178.1	0	0	0	112.4
895	G	26.3	Very low	43.7	Very low	70 Å²	70	112 Å²	112	72%	0.722	63%	0.626	S	S	*	*			trans	59.9	112	149.9	0	0	0	0	0	120.8
896	N	30.6	Very low	46.1	Very low	155 Å²	155	104.8 Å²	104.8	83%	0.829	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.5	136.5	178.6	-60.2	-22.8	0	0	0	115.5
897	N	44.7	Very low	48.3	Very low	124 Å²	124	101.5 Å²	101.5	66%	0.663	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.3	23.2	156.4	-59.4	-0.9	0	0	0	121.8
898	Q	51.4	Low	50.4	Low	140 Å²	140	100 Å²	100	65%	0.654	56%	0.563	S	S	*	*			trans	-122.1	126.6	163.7	-69.6	-168.9	-4.5	0	0	112.9
899	L	64.7	Low	52.4	Low	39 Å²	39	94.9 Å²	94.9	20%	0.204	53%	0.534	C	S	.	.			trans	-106.1	131.8	173.7	-169.5	150.7	0	0	0	109.3	L870 Y873 V876 K877 L901	L870-L899 HydrophobicContact CD2-CD1 3.79Å; L870-L899 HydrophobicContact CD2-CD2 3.63Å; L870-L899 HydrophobicContact CD2-CG 4.39Å; Y873-L899 HydrophobicContact CD1-CB 4.2Å; Y873-L899 HydrophobicContact CD2-CD1 4.18Å; Y873-L899 HydrophobicContact CE1-CB 3.95Å; Y873-L899 HydrophobicContact CE1-CD1 4.43Å; Y873-L899 HydrophobicContact CE2-CB 4.48Å; Y873-L899 HydrophobicContact CE2-CD1 3.59Å; V876-L899 HydrophobicContact CG1-CD2 3.71Å; V876-L899 HydrophobicContact CG2-CD2 4.09Å; K877-L899 PolarHBondContact N-O 2.82Å; L899-L901 HydrophobicContact CD2-CD2 4.05Å; L899-L901 HydrophobicContact CD2-CG 4.3Å
900	T	66.7	Low	54.7	Low	61 Å²	61	95.9 Å²	95.9	37%	0.374	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.7	-179.9	-52.7	0	0	0	0	108.9	K877 D879	K877-T900 HydrophobicContact CB-CG2 4.21Å; K877-T900 HydrophobicContact CD-CG2 4.26Å; K877-T900 HydrophobicContact CG-CG2 4.33Å; K877-T900 CarbonylContact O-C 3.59Å; K877-T900 VanDerWaalsContact O-CA 3.31Å; K877-T900 WeakPolarHBondContact O-CA 3.31Å; D879-T900 HydrophobicContact CB-CG2 3.7Å
901	L	76.3	Confident	56.9	Low	4 Å²	4	91.1 Å²	91.1	2%	0.021	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.4	166.7	-60.3	172.6	0	0	0	107.8	Y865 L870 V876 K877 L878 D879 L899 F905 F906 L940	Y865-L901 HydrophobicContact CE1-CD2 4.37Å; L870-L901 HydrophobicContact CD1-CD1 4.02Å; V876-L901 HydrophobicContact CG1-CB 4.48Å; V876-L901 HydrophobicContact CG1-CD1 3.83Å; V876-L901 HydrophobicContact CG1-CG 3.65Å; K877-L901 PolarHBondContact O-N 2.92Å; L878-L901 HydrophobicContact CD2-CB 4.22Å; L878-L901 HydrophobicContact CD2-CD1 4.35Å; D879-L901 PolarHBondContact N-O 2.94Å; L899-L901 HydrophobicContact CD2-CD2 4.05Å; L899-L901 HydrophobicContact CD2-CG 4.3Å; L901-F905 HydrophobicContact CB-CD1 4.25Å; L901-F905 HydrophobicContact CD1-CD1 4.5Å; L901-F905 HydrophobicContact CD1-CE1 4.15Å; L901-F905 HydrophobicContact CD2-CD1 3.86Å; L901-F905 HydrophobicContact CD2-CD2 4.12Å; L901-F905 HydrophobicContact CD2-CE1 3.82Å; L901-F905 HydrophobicContact CD2-CE2 4.07Å; L901-F905 HydrophobicContact CD2-CG 4Å; L901-F905 HydrophobicContact CD2-CZ 3.92Å; L901-F905 HydrophobicContact CG-CD1 4.41Å; L901-F905 HydrophobicContact CG-CE1 4.43Å; L901-F906 HydrophobicContact CB-CE2 4.11Å; L901-F906 HydrophobicContact CB-CZ 4.45Å; L901-F906 HydrophobicContact CD1-CZ 4.36Å; L901-L940 HydrophobicContact CD1-CD2 4.39Å
902	D	76.2	Confident	58.9	Low	70 Å²	70	92.1 Å²	92.1	37%	0.374	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	176	176.3	55.6	42.3	0	0	0	111.6	D879 T904 F905 F906	D879-D902 WeakPolarHBondContact O-CA 3.46Å; D902-T904 VanDerWaalsContact C-N 3.32Å; D902-T904 PolarHBondContact O-N 3.38Å; D902-T904 WeakPolarHBondContact OD1-CB 3.5Å; D902-T904 PolarHBondContact OD1-N 3.31Å; D902-T904 VanDerWaalsContact OD1-N 3.14Å; D902-T904 PolarHBondContact OD1-OG1 3.4Å; D902-T904 PolarHBondContact OD2-OG1 3.07Å; D902-F905 PolarHBondContact OD1-N 2.89Å; D902-F906 VanDerWaalsContact O-CD2 3.24Å; D902-F906 WeakPolarHBondContact O-CD2 3.22Å
903	K	72.3	Confident	61.1	Low	109 Å²	109	89.1 Å²	89.1	47%	0.474	46%	0.462	S	S	.	.	H	α-helix	trans	-63.1	-37.2	175.6	-169.8	-178.3	172.4	-171	0	112.7	D879 F905 F906 D907	D879-K903 PolarHBondContact O-N 3.08Å; K903-F905 VanDerWaalsContact C-N 3.3Å; K903-F905 PolarHBondContact O-N 3.41Å; K903-F906 PolarHBondContact O-N 3.43Å; K903-D907 PolarHBondContact O-N 3.14Å
904	T	71.6	Confident	63.4	Low	84 Å²	84	80.4 Å²	80.4	52%	0.515	43%	0.426	S	S	.	.	H	α-helix	trans	-59.2	-37.9	-179.5	26.7	0	0	0	0	112.7	D902 F906 D907 E908	D902-T904 VanDerWaalsContact C-N 3.32Å; D902-T904 PolarHBondContact O-N 3.38Å; D902-T904 WeakPolarHBondContact OD1-CB 3.5Å; D902-T904 PolarHBondContact OD1-N 3.31Å; D902-T904 VanDerWaalsContact OD1-N 3.14Å; D902-T904 PolarHBondContact OD1-OG1 3.4Å; D902-T904 PolarHBondContact OD2-OG1 3.07Å; T904-F906 VanDerWaalsContact C-N 3.35Å; T904-F906 PolarHBondContact O-N 2.9Å; T904-D907 PolarHBondContact O-N 2.92Å; T904-E908 WeakPolarHBondContact O-CG 3.24Å; T904-E908 PolarHBondContact O-N 3.22Å
905	F	78.2	Confident	65.5	Low	25 Å²	25	76 Å²	76	11%	0.11	40%	0.401	C	S	.	.	H	α-helix	trans	-58	-41.9	172.5	169.2	-93.9	0	0	0	113.3	L862 Y865 L901 D902 K903 M909	L862-F905 HydrophobicContact CD1-CE1 3.84Å; L862-F905 HydrophobicContact CD1-CZ 4.25Å; Y865-F905 AromaticContact CD1-CE2 3.94Å; Y865-F905 HydrophobicContact CD1-CE2 3.94Å; Y865-F905 AromaticContact CD1-CZ 3.56Å; Y865-F905 HydrophobicContact CD1-CZ 3.56Å; Y865-F905 HydrophobicContact CD2-CE2 4.33Å; Y865-F905 AromaticContact CE1-CE2 3.53Å; Y865-F905 HydrophobicContact CE1-CE2 3.53Å; Y865-F905 AromaticContact CE1-CZ 3.53Å; Y865-F905 HydrophobicContact CE1-CZ 3.53Å; Y865-F905 AromaticContact CE2-CE2 3.95Å; Y865-F905 HydrophobicContact CE2-CE2 3.95Å; Y865-F905 HydrophobicContact CG-CE2 4.32Å; Y865-F905 HydrophobicContact CG-CZ 4.09Å; Y865-F905 AromaticContact CZ-CE2 3.54Å; L901-F905 HydrophobicContact CB-CD1 4.25Å; L901-F905 HydrophobicContact CD1-CD1 4.5Å; L901-F905 HydrophobicContact CD1-CE1 4.15Å; L901-F905 HydrophobicContact CD2-CD1 3.86Å; L901-F905 HydrophobicContact CD2-CD2 4.12Å; L901-F905 HydrophobicContact CD2-CE1 3.82Å; L901-F905 HydrophobicContact CD2-CE2 4.07Å; L901-F905 HydrophobicContact CD2-CG 4Å; L901-F905 HydrophobicContact CD2-CZ 3.92Å; L901-F905 HydrophobicContact CG-CD1 4.41Å; L901-F905 HydrophobicContact CG-CE1 4.43Å; D902-F905 PolarHBondContact OD1-N 2.89Å; K903-F905 VanDerWaalsContact C-N 3.3Å; K903-F905 PolarHBondContact O-N 3.41Å; F905-M909 HydrophobicContact CE1-CE 4.2Å; F905-M909 HydrophobicContact CE1-SD 3.88Å; F905-M909 HydrophobicContact CE2-CE 3.51Å; F905-M909 HydrophobicContact CE2-SD 4.21Å; F905-M909 HydrophobicContact CZ-CE 3.29Å; F905-M909 HydrophobicContact CZ-CG 4.38Å; F905-M909 HydrophobicContact CZ-SD 3.57Å; F905-M909 VanDerWaalsContact CZ-SD 3.57Å; F905-M909 WeakPolarHBondContact O-CG 3.24Å; F905-M909 PolarHBondContact O-N 3.5Å; F905-M909 VanDerWaalsContact O-N 3.07Å
906	F	76.5	Confident	67.3	Low	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-74.2	-33.9	178.8	-68.9	-78.2	0	0	0	112.5	L862 L878 L880 L901 D902 K903 T904 M909 K910 I911 I914	L862-F906 HydrophobicContact CD1-CE1 4.01Å; L862-F906 HydrophobicContact CD2-CE1 4.29Å; L878-F906 HydrophobicContact CD2-CE2 4.27Å; L878-F906 HydrophobicContact CD2-CZ 4.13Å; L880-F906 HydrophobicContact CD2-CD2 4.23Å; L880-F906 HydrophobicContact CD2-CE2 4.14Å; L901-F906 HydrophobicContact CB-CE2 4.11Å; L901-F906 HydrophobicContact CB-CZ 4.45Å; L901-F906 HydrophobicContact CD1-CZ 4.36Å; D902-F906 VanDerWaalsContact O-CD2 3.24Å; D902-F906 WeakPolarHBondContact O-CD2 3.22Å; K903-F906 PolarHBondContact O-N 3.43Å; T904-F906 VanDerWaalsContact C-N 3.35Å; T904-F906 PolarHBondContact O-N 2.9Å; F906-M909 PolarHBondContact O-N 3.11Å; F906-K910 PolarHBondContact O-N 3.24Å; F906-K910 VanDerWaalsContact O-N 3.17Å; F906-I911 HydrophobicContact CD1-CB 4.41Å; F906-I911 HydrophobicContact CD1-CD1 4.07Å; F906-I911 HydrophobicContact CD1-CG2 4.45Å; F906-I911 PolarHBondContact O-N 2.87Å; F906-I914 HydrophobicContact CB-CD1 3.49Å; F906-I914 VanDerWaalsContact CB-CD1 3.49Å; F906-I914 HydrophobicContact CB-CG1 3.63Å; F906-I914 HydrophobicContact CD1-CB 4.41Å; F906-I914 HydrophobicContact CD1-CD1 4.33Å; F906-I914 HydrophobicContact CD1-CG1 3.88Å; F906-I914 HydrophobicContact CD1-CG2 3.87Å; F906-I914 HydrophobicContact CD2-CD1 3.65Å; F906-I914 HydrophobicContact CD2-CG1 4.11Å; F906-I914 HydrophobicContact CD2-CG2 4.07Å; F906-I914 HydrophobicContact CE1-CG2 3.71Å; F906-I914 HydrophobicContact CE2-CD1 4.46Å; F906-I914 HydrophobicContact CE2-CG2 3.93Å; F906-I914 HydrophobicContact CG-CB 4.46Å; F906-I914 HydrophobicContact CG-CD1 3.57Å; F906-I914 HydrophobicContact CG-CG1 3.61Å; F906-I914 HydrophobicContact CG-CG2 4.06Å; F906-I914 HydrophobicContact CZ-CG2 3.74Å
907	D	72.4	Confident	69.3	Low	91 Å²	91	65.7 Å²	65.7	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-64.8	-43	172.9	-66.9	-28.1	0	0	0	110.4	K903 T904 M909 K910	K903-D907 PolarHBondContact O-N 3.14Å; T904-D907 PolarHBondContact O-N 2.92Å; D907-M909 VanDerWaalsContact C-N 3.35Å; D907-M909 PolarHBondContact O-N 3.34Å; D907-K910 PolarHBondContact O-N 3.19Å
908	E	72.8	Confident	70.7	Confident	160 Å²	160	59.8 Å²	59.8	75%	0.748	30%	0.298	S	S	*	.	H	α-helix	trans	-60.3	-39.9	172.4	-76.5	-176.4	178.3	0	0	112.8	T904 K910	T904-E908 WeakPolarHBondContact O-CG 3.24Å; T904-E908 PolarHBondContact O-N 3.22Å; E908-K910 PolarHBondContact O-N 2.91Å
909	M	68.5	Low	71.4	Confident	37 Å²	37	54.1 Å²	54.1	18%	0.182	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-5.1	175	-73.2	-157.6	167.8	0	0	114.5	S858 L862 Y865 F905 F906 D907 I911	S858-M909 WeakPolarHBondContact CB-O 3.31Å; L862-M909 HydrophobicContact CB-SD 4.38Å; L862-M909 HydrophobicContact CD1-SD 4.12Å; Y865-M909 HydrophobicContact CD1-CE 4.24Å; Y865-M909 HydrophobicContact CD2-CE 3.7Å; Y865-M909 HydrophobicContact CE2-CE 4.41Å; Y865-M909 HydrophobicContact CG-CE 3.6Å; F905-M909 HydrophobicContact CE1-CE 4.2Å; F905-M909 HydrophobicContact CE1-SD 3.88Å; F905-M909 HydrophobicContact CE2-CE 3.51Å; F905-M909 HydrophobicContact CE2-SD 4.21Å; F905-M909 HydrophobicContact CZ-CE 3.29Å; F905-M909 HydrophobicContact CZ-CG 4.38Å; F905-M909 HydrophobicContact CZ-SD 3.57Å; F905-M909 VanDerWaalsContact CZ-SD 3.57Å; F905-M909 WeakPolarHBondContact O-CG 3.24Å; F905-M909 PolarHBondContact O-N 3.5Å; F905-M909 VanDerWaalsContact O-N 3.07Å; F906-M909 PolarHBondContact O-N 3.11Å; D907-M909 VanDerWaalsContact C-N 3.35Å; D907-M909 PolarHBondContact O-N 3.34Å; M909-I911 HydrophobicContact CB-CD1 3.65Å; M909-I911 HydrophobicContact CB-CG1 3.83Å; M909-I911 HydrophobicContact CG-CD1 4.5Å; M909-I911 HydrophobicContact SD-CD1 4.15Å
910	K	72.7	Confident	71.5	Confident	155 Å²	155	53.4 Å²	53.4	67%	0.674	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	47.5	-175.9	-51.5	179.3	-178.5	-179.4	0	112.3	S858 F906 D907 E908	S858-K910 WeakPolarHBondContact CB-O 3.25Å; S858-K910 PolarHBondContact OG-O 3.49Å; F906-K910 PolarHBondContact O-N 3.24Å; F906-K910 VanDerWaalsContact O-N 3.17Å; D907-K910 PolarHBondContact O-N 3.19Å; E908-K910 PolarHBondContact O-N 2.91Å
911	I	70.8	Confident	71.6	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.015	25%	0.25	C	C	.	.			trans	-106.5	83.8	179.3	-58.6	173	0	0	0	109.2	L862 F906 M909 N913 I914 C917	L862-I911 HydrophobicContact CB-CD1 3.86Å; L862-I911 HydrophobicContact CD1-CD1 4.42Å; L862-I911 HydrophobicContact CD2-CD1 4.38Å; L862-I911 HydrophobicContact CG-CD1 4.44Å; F906-I911 HydrophobicContact CD1-CB 4.41Å; F906-I911 HydrophobicContact CD1-CD1 4.07Å; F906-I911 HydrophobicContact CD1-CG2 4.45Å; F906-I911 PolarHBondContact O-N 2.87Å; M909-I911 HydrophobicContact CB-CD1 3.65Å; M909-I911 HydrophobicContact CB-CG1 3.83Å; M909-I911 HydrophobicContact CG-CD1 4.5Å; M909-I911 HydrophobicContact SD-CD1 4.15Å; I911-N913 PolarHBondContact O-N 2.94Å; I911-I914 HydrophobicContact CG2-CG1 4.49Å; I911-C917 HydrophobicContact CG2-CB 4.01Å
912	D	66.3	Low	71.3	Confident	133 Å²	133	52.2 Å²	52.2	71%	0.711	26%	0.257	S	S	*	.	S	Bend	trans	-62.2	-7.9	-177.3	-36.6	-41.2	0	0	0	114.5
913	N	69.3	Low	70.3	Confident	34 Å²	34	51.3 Å²	51.3	18%	0.182	26%	0.256	C	S	.	.			trans	-150.4	79.1	-175.8	-156.9	-8.2	0	0	0	112.1	K492 I911 D916 C917	K492-N913 VanDerWaalsContact NZ-CG 3.34Å; K492-N913 PolarHBondContact NZ-ND2 2.81Å; I911-N913 PolarHBondContact O-N 2.94Å; N913-D916 HydrophobicContact CB-CB 4.42Å; N913-D916 VanDerWaalsContact CG-OD2 3.23Å; N913-D916 PolarHBondContact ND2-OD2 2.83Å; N913-D916 PolarHBondContact OD1-OD2 3.03Å; N913-C917 PolarHBondContact O-N 3.4Å; N913-C917 VanDerWaalsContact O-N 3.15Å
914	I	74.7	Confident	69.7	Low	25 Å²	25	46.8 Å²	46.8	13%	0.128	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-50.8	-174.7	-56.4	169	0	0	0	111.3	L880 F906 I911 D916 C917 L918	L880-I914 HydrophobicContact CD1-CG2 4.47Å; L880-I914 HydrophobicContact CD2-CD1 3.79Å; L880-I914 HydrophobicContact CD2-CG2 4.22Å; F906-I914 HydrophobicContact CB-CD1 3.49Å; F906-I914 VanDerWaalsContact CB-CD1 3.49Å; F906-I914 HydrophobicContact CB-CG1 3.63Å; F906-I914 HydrophobicContact CD1-CB 4.41Å; F906-I914 HydrophobicContact CD1-CD1 4.33Å; F906-I914 HydrophobicContact CD1-CG1 3.88Å; F906-I914 HydrophobicContact CD1-CG2 3.87Å; F906-I914 HydrophobicContact CD2-CD1 3.65Å; F906-I914 HydrophobicContact CD2-CG1 4.11Å; F906-I914 HydrophobicContact CD2-CG2 4.07Å; F906-I914 HydrophobicContact CE1-CG2 3.71Å; F906-I914 HydrophobicContact CE2-CD1 4.46Å; F906-I914 HydrophobicContact CE2-CG2 3.93Å; F906-I914 HydrophobicContact CG-CB 4.46Å; F906-I914 HydrophobicContact CG-CD1 3.57Å; F906-I914 HydrophobicContact CG-CG1 3.61Å; F906-I914 HydrophobicContact CG-CG2 4.06Å; F906-I914 HydrophobicContact CZ-CG2 3.74Å; I911-I914 HydrophobicContact CG2-CG1 4.49Å; I914-D916 PolarHBondContact O-N 2.75Å; I914-C917 WeakPolarHBondContact O-CB 3.13Å; I914-C917 PolarHBondContact O-N 3.15Å; I914-L918 HydrophobicContact CG2-CD1 3.92Å; I914-L918 HydrophobicContact CG2-CG 4.26Å; I914-L918 WeakPolarHBondContact O-CG 3.46Å; I914-L918 PolarHBondContact O-N 3.43Å
915	E	72	Confident	69.2	Low	76 Å²	76	43.6 Å²	43.6	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-62.1	-41.2	-175.1	-177.1	167.4	-161.1	0	0	112.4	L918 N919 Y929 P931	E915-L918 PolarHBondContact O-N 2.91Å; E915-N919 WeakPolarHBondContact CG-ND2 3.5Å; E915-N919 VanDerWaalsContact O-CB 3.3Å; E915-N919 WeakPolarHBondContact O-CB 3.43Å; E915-N919 VanDerWaalsContact O-CG 3.23Å; E915-N919 PolarHBondContact O-N 3.14Å; E915-N919 PolarHBondContact O-ND2 3.37Å; E915-Y929 HydrophobicContact CG-CE1 4.4Å; E915-P931 WeakPolarHBondContact OE1-CB 3.36Å
916	D	64.1	Low	68.5	Low	10 Å²	10	45.5 Å²	45.5	5%	0.053	23%	0.23	C	C	.	.	H	α-helix	trans	-67.6	-39.9	175.5	-81.4	-46.7	0	0	0	112.9	H489 W859 N913 I914 L918 N919 Y920	H489-D916 WeakPolarHBondContact CB-OD1 3.42Å; H489-D916 IonicContact CE1-OD1 2.69Å; H489-D916 IonicContact CE1-OD2 2.9Å; H489-D916 IonicContact CG-OD1 3.69Å; H489-D916 VanDerWaalsContact CG-OD1 3.31Å; H489-D916 IonicContact CG-OD2 2.72Å; H489-D916 IonicContact ND1-OD1 3.05Å; H489-D916 PolarHBondContact ND1-OD1 2.73Å; H489-D916 IonicContact ND1-OD2 3.31Å; H489-D916 PolarHBondContact ND1-OD2 3.21Å; W859-D916 HydrophobicContact CH2-CB 4Å; W859-D916 HydrophobicContact CZ2-CB 4.12Å; N913-D916 HydrophobicContact CB-CB 4.42Å; N913-D916 VanDerWaalsContact CG-OD2 3.23Å; N913-D916 PolarHBondContact ND2-OD2 2.83Å; N913-D916 PolarHBondContact OD1-OD2 3.03Å; I914-D916 PolarHBondContact O-N 2.75Å; D916-L918 VanDerWaalsContact C-N 3.34Å; D916-L918 PolarHBondContact O-N 2.71Å; D916-N919 PolarHBondContact O-N 3.42Å; D916-Y920 VanDerWaalsContact O-CB 3.26Å; D916-Y920 WeakPolarHBondContact O-CB 3.22Å; D916-Y920 PolarHBondContact O-N 3.43Å
917	C	73	Confident	68.3	Low	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-43.2	174.9	-173	0	0	0	0	111.2	W859 L862 I911 N913 I914 Y921	W859-C917 HydrophobicContact CD2-CB 3.87Å; W859-C917 HydrophobicContact CE3-CB 4.37Å; W859-C917 HydrophobicContact CG-CB 4.15Å; W859-C917 VanDerWaalsContact CG-SG 3.52Å; W859-C917 HydrophobicContact CZ2-CB 4.1Å; L862-C917 VanDerWaalsContact CD2-SG 3.58Å; I911-C917 HydrophobicContact CG2-CB 4.01Å; N913-C917 PolarHBondContact O-N 3.4Å; N913-C917 VanDerWaalsContact O-N 3.15Å; I914-C917 WeakPolarHBondContact O-CB 3.13Å; I914-C917 PolarHBondContact O-N 3.15Å; C917-Y921 VanDerWaalsContact O-CD2 3.25Å; C917-Y921 WeakPolarHBondContact O-CD2 3.29Å; C917-Y921 PolarHBondContact O-N 3.36Å
918	L	74.6	Confident	68.2	Low	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.6	-43.1	177.5	-65.2	179.7	0	0	0	111.9	L862 L878 I914 E915 D916 Y920 Y921 H922 F927 Y929 L940	L862-L918 HydrophobicContact CD2-CD2 4.17Å; L878-L918 HydrophobicContact CD1-CD1 3.81Å; I914-L918 HydrophobicContact CG2-CD1 3.92Å; I914-L918 HydrophobicContact CG2-CG 4.26Å; I914-L918 WeakPolarHBondContact O-CG 3.46Å; I914-L918 PolarHBondContact O-N 3.43Å; E915-L918 PolarHBondContact O-N 2.91Å; D916-L918 VanDerWaalsContact C-N 3.34Å; D916-L918 PolarHBondContact O-N 2.71Å; L918-Y920 PolarHBondContact O-N 3.2Å; L918-Y921 PolarHBondContact O-N 3.08Å; L918-H922 VanDerWaalsContact O-CB 3.3Å; L918-H922 WeakPolarHBondContact O-CB 3.42Å; L918-H922 PolarHBondContact O-N 3Å; L918-F927 HydrophobicContact CB-CE2 4.34Å; L918-F927 HydrophobicContact CD2-CE2 3.74Å; L918-F927 HydrophobicContact CD2-CZ 3.76Å; L918-F927 WeakPolarHBondContact O-CE2 3.39Å; L918-Y929 HydrophobicContact CB-CD1 3.43Å; L918-Y929 VanDerWaalsContact CB-CD1 3.43Å; L918-Y929 HydrophobicContact CB-CE1 3.96Å; L918-Y929 HydrophobicContact CB-CG 3.86Å; L918-Y929 HydrophobicContact CD1-CD1 4Å; L918-Y929 HydrophobicContact CD1-CD2 4.13Å; L918-Y929 HydrophobicContact CD1-CE1 3.92Å; L918-Y929 HydrophobicContact CD1-CE2 4.1Å; L918-Y929 HydrophobicContact CD1-CG 4.1Å; L918-Y929 HydrophobicContact CG-CD1 4.37Å; L918-L940 HydrophobicContact CD2-CD1 3.87Å; L918-L940 HydrophobicContact CD2-CD2 4.21Å
919	N	66.3	Low	68.2	Low	21 Å²	21	35.1 Å²	35.1	11%	0.112	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-35.3	177.5	-75.8	-30.7	0	0	0	112.7	E915 D916 H922 S923	E915-N919 WeakPolarHBondContact CG-ND2 3.5Å; E915-N919 VanDerWaalsContact O-CB 3.3Å; E915-N919 WeakPolarHBondContact O-CB 3.43Å; E915-N919 VanDerWaalsContact O-CG 3.23Å; E915-N919 PolarHBondContact O-N 3.14Å; E915-N919 PolarHBondContact O-ND2 3.37Å; D916-N919 PolarHBondContact O-N 3.42Å; N919-H922 PolarHBondContact O-N 3.25Å; N919-S923 PolarHBondContact O-N 2.8Å
920	Y	66.2	Low	68.3	Low	23 Å²	23	35.4 Å²	35.4	9%	0.09	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-54.3	173.7	175.7	-103.9	0	0	0	111.3	P478 I855 W859 D916 L918 H922 S923 I924	P478-Y920 HydrophobicContact CB-CD2 4.27Å; P478-Y920 HydrophobicContact CB-CE2 4.37Å; I855-Y920 HydrophobicContact CD1-CE1 4.04Å; I855-Y920 WeakPolarHBondContact CD1-OH 3.36Å; I855-Y920 HydrophobicContact CG1-CE1 4.21Å; I855-Y920 WeakPolarHBondContact CG1-OH 3.33Å; W859-Y920 HydrophobicContact CE3-CD1 4.03Å; W859-Y920 HydrophobicContact CE3-CG 4.21Å; W859-Y920 HydrophobicContact CZ3-CD1 4.11Å; W859-Y920 HydrophobicContact CZ3-CD2 4.34Å; W859-Y920 AromaticContact CZ3-CG 3.81Å; W859-Y920 HydrophobicContact CZ3-CG 3.81Å; D916-Y920 VanDerWaalsContact O-CB 3.26Å; D916-Y920 WeakPolarHBondContact O-CB 3.22Å; D916-Y920 PolarHBondContact O-N 3.43Å; L918-Y920 PolarHBondContact O-N 3.2Å; Y920-H922 VanDerWaalsContact C-N 3.33Å; Y920-H922 PolarHBondContact O-N 2.7Å; Y920-S923 PolarHBondContact O-N 3.33Å; Y920-S923 VanDerWaalsContact O-N 3.16Å; Y920-S923 PolarHBondContact O-OG 3.01Å; Y920-I924 HydrophobicContact CD1-CD1 3.97Å; Y920-I924 HydrophobicContact CD2-CD1 4.38Å; Y920-I924 HydrophobicContact CE1-CD1 3.41Å; Y920-I924 VanDerWaalsContact CE1-CD1 3.41Å; Y920-I924 HydrophobicContact CE2-CD1 3.89Å; Y920-I924 HydrophobicContact CG-CD1 4.42Å; Y920-I924 PolarHBondContact O-N 3Å; Y920-I924 VanDerWaalsContact O-N 3.16Å
921	Y	68.7	Low	67.8	Low	4 Å²	4	29.6 Å²	29.6	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-71	-26.2	179.5	-72.4	-56.2	0	0	0	113.8	W859 V863 C917 L918 I924 G925 Q926 F927	W859-Y921 HydrophobicContact CB-CE2 4.37Å; W859-Y921 WeakPolarHBondContact O-CE2 3.42Å; W859-Y921 PolarHBondContact O-OH 2.92Å; V863-Y921 HydrophobicContact CB-CE1 4.16Å; V863-Y921 HydrophobicContact CB-CE2 4.31Å; V863-Y921 HydrophobicContact CG2-CD1 3.59Å; V863-Y921 HydrophobicContact CG2-CD2 3.9Å; V863-Y921 HydrophobicContact CG2-CE1 3.4Å; V863-Y921 VanDerWaalsContact CG2-CE1 3.4Å; V863-Y921 HydrophobicContact CG2-CE2 3.7Å; V863-Y921 HydrophobicContact CG2-CG 3.85Å; V863-Y921 VanDerWaalsContact CG2-CZ 3.44Å; C917-Y921 VanDerWaalsContact O-CD2 3.25Å; C917-Y921 WeakPolarHBondContact O-CD2 3.29Å; C917-Y921 PolarHBondContact O-N 3.36Å; L918-Y921 PolarHBondContact O-N 3.08Å; Y921-I924 HydrophobicContact CD1-CD1 4.46Å; Y921-I924 PolarHBondContact O-N 3.5Å; Y921-G925 PolarHBondContact O-N 3.13Å; Y921-Q926 HydrophobicContact CD1-CG 4.36Å; Y921-Q926 PolarHBondContact O-N 2.84Å; Y921-Q926 VanDerWaalsContact O-N 3.12Å; Y921-F927 AromaticContact CD2-CE1 3.98Å; Y921-F927 HydrophobicContact CD2-CE1 3.98Å; Y921-F927 AromaticContact CD2-CZ 3.77Å; Y921-F927 HydrophobicContact CD2-CZ 3.77Å; Y921-F927 AromaticContact CG-CE1 3.93Å; Y921-F927 HydrophobicContact CG-CE1 3.93Å; Y921-F927 AromaticContact CG-CZ 3.87Å; Y921-F927 HydrophobicContact CG-CZ 3.87Å
922	H	69.4	Low	67.1	Low	36 Å²	36	36 Å²	36	17%	0.167	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-47.8	165.6	173.3	55.8	0	0	0	112	L918 N919 Y920 I924 G925 F927	L918-H922 VanDerWaalsContact O-CB 3.3Å; L918-H922 WeakPolarHBondContact O-CB 3.42Å; L918-H922 PolarHBondContact O-N 3Å; N919-H922 PolarHBondContact O-N 3.25Å; Y920-H922 VanDerWaalsContact C-N 3.33Å; Y920-H922 PolarHBondContact O-N 2.7Å; H922-I924 VanDerWaalsContact C-N 3.3Å; H922-I924 PolarHBondContact O-N 2.92Å; H922-G925 PolarHBondContact O-N 3.3Å; H922-F927 WeakPolarHBondContact CA-O 3.32Å
923	S	56.4	Low	66.6	Low	52 Å²	52	32.6 Å²	32.6	36%	0.364	17%	0.165	S	C	.	.	H	α-helix	trans	-65.2	-32	178.7	77.3	0	0	0	0	113.6	K538 N919 Y920 G925	K538-S923 PolarHBondContact NZ-O 2.81Å; N919-S923 PolarHBondContact O-N 2.8Å; Y920-S923 PolarHBondContact O-N 3.33Å; Y920-S923 VanDerWaalsContact O-N 3.16Å; Y920-S923 PolarHBondContact O-OG 3.01Å; S923-G925 VanDerWaalsContact C-N 3.31Å
924	I	59.8	Low	65.7	Low	13 Å²	13	37.9 Å²	37.9	7%	0.067	19%	0.186	C	C	.	.	H	α-helix	trans	-76.2	-23.7	175.3	-64.3	173.3	0	0	0	111.1	K538 Y920 Y921 H922 Q926	K538-I924 WeakPolarHBondContact CE-O 3.4Å; Y920-I924 HydrophobicContact CD1-CD1 3.97Å; Y920-I924 HydrophobicContact CD2-CD1 4.38Å; Y920-I924 HydrophobicContact CE1-CD1 3.41Å; Y920-I924 VanDerWaalsContact CE1-CD1 3.41Å; Y920-I924 HydrophobicContact CE2-CD1 3.89Å; Y920-I924 HydrophobicContact CG-CD1 4.42Å; Y920-I924 PolarHBondContact O-N 3Å; Y920-I924 VanDerWaalsContact O-N 3.16Å; Y921-I924 HydrophobicContact CD1-CD1 4.46Å; Y921-I924 PolarHBondContact O-N 3.5Å; H922-I924 VanDerWaalsContact C-N 3.3Å; H922-I924 PolarHBondContact O-N 2.92Å; I924-Q926 HydrophobicContact CG2-CG 3.93Å
925	G	59.5	Low	64.7	Low	17 Å²	17	40 Å²	40	18%	0.175	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	25.5	-178.5	0	0	0	0	0	113.9	Y921 H922 S923	Y921-G925 PolarHBondContact O-N 3.13Å; H922-G925 PolarHBondContact O-N 3.3Å; S923-G925 VanDerWaalsContact C-N 3.31Å
926	Q	64.3	Low	64.3	Low	66 Å²	66	36.8 Å²	36.8	31%	0.308	18%	0.178	S	C	.	.	S	Bend	trans	-75.4	-31.1	171.9	-64.8	-157.3	31.5	0	0	112.1	V863 Y921 I924	V863-Q926 VanDerWaalsContact CG2-OE1 3.26Å; Y921-Q926 HydrophobicContact CD1-CG 4.36Å; Y921-Q926 PolarHBondContact O-N 2.84Å; Y921-Q926 VanDerWaalsContact O-N 3.12Å; I924-Q926 HydrophobicContact CG2-CG 3.93Å
927	F	72	Confident	64.3	Low	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-151.8	173.1	170.1	49.2	-111.7	0	0	0	108	L862 V863 V866 L918 Y921 H922 L940 I941 L942	L862-F927 HydrophobicContact CD2-CZ 4.46Å; V863-F927 HydrophobicContact CG2-CE1 4.28Å; V866-F927 HydrophobicContact CG1-CD1 4.27Å; V866-F927 HydrophobicContact CG2-CD1 4.37Å; V866-F927 HydrophobicContact CG2-CE1 4.23Å; L918-F927 HydrophobicContact CB-CE2 4.34Å; L918-F927 HydrophobicContact CD2-CE2 3.74Å; L918-F927 HydrophobicContact CD2-CZ 3.76Å; L918-F927 WeakPolarHBondContact O-CE2 3.39Å; Y921-F927 AromaticContact CD2-CE1 3.98Å; Y921-F927 HydrophobicContact CD2-CE1 3.98Å; Y921-F927 AromaticContact CD2-CZ 3.77Å; Y921-F927 HydrophobicContact CD2-CZ 3.77Å; Y921-F927 AromaticContact CG-CE1 3.93Å; Y921-F927 HydrophobicContact CG-CE1 3.93Å; Y921-F927 AromaticContact CG-CZ 3.87Å; Y921-F927 HydrophobicContact CG-CZ 3.87Å; H922-F927 WeakPolarHBondContact CA-O 3.32Å; F927-L940 HydrophobicContact CD2-CD1 3.45Å; F927-L940 VanDerWaalsContact CD2-CD1 3.45Å; F927-L940 HydrophobicContact CD2-CG 4.46Å; F927-L940 HydrophobicContact CE2-CD1 3.64Å; F927-L940 HydrophobicContact CG-CD1 4.09Å; F927-L940 HydrophobicContact CZ-CD1 4.41Å; F927-I941 CarbonylContact C-O 3.59Å; F927-I941 WeakPolarHBondContact CA-O 3.36Å; F927-I941 VanDerWaalsContact CB-O 3.3Å; F927-I941 WeakPolarHBondContact CB-O 3.38Å; F927-L942 HydrophobicContact CB-CD2 4.28Å
928	L	69.8	Low	64.2	Low	21 Å²	21	43.4 Å²	43.4	11%	0.11	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.2	175.8	-55.8	172.4	0	0	0	110.6	F930 I941 P944 F947	L928-F930 HydrophobicContact CB-CE2 3.81Å; L928-F930 HydrophobicContact CB-CZ 4.18Å; L928-F930 HydrophobicContact CD1-CE2 4.43Å; L928-F930 HydrophobicContact CD1-CZ 4.37Å; L928-I941 HydrophobicContact CB-CB 4.12Å; L928-I941 HydrophobicContact CB-CG2 4.35Å; L928-I941 HydrophobicContact CD1-CG2 4.48Å; L928-I941 PolarHBondContact N-O 2.88Å; L928-I941 PolarHBondContact O-N 3.39Å; L928-P944 HydrophobicContact CD1-CB 4.15Å; L928-P944 HydrophobicContact CG-CB 4.17Å; L928-P944 HydrophobicContact CG-CG 4.16Å; L928-F947 HydrophobicContact CD1-CB 4.27Å; L928-F947 HydrophobicContact CD1-CD1 3.23Å; L928-F947 HydrophobicContact CD1-CE1 3.65Å; L928-F947 HydrophobicContact CD1-CG 3.94Å
929	Y	73.8	Confident	64	Low	12 Å²	12	45.2 Å²	45.2	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.4	177.8	177.8	-122.8	0	0	0	109	L878 E915 L918 P931 K937	L878-Y929 HydrophobicContact CD1-CD2 3.79Å; L878-Y929 HydrophobicContact CD1-CE2 3.39Å; E915-Y929 HydrophobicContact CG-CE1 4.4Å; L918-Y929 HydrophobicContact CB-CD1 3.43Å; L918-Y929 VanDerWaalsContact CB-CD1 3.43Å; L918-Y929 HydrophobicContact CB-CE1 3.96Å; L918-Y929 HydrophobicContact CB-CG 3.86Å; L918-Y929 HydrophobicContact CD1-CD1 4Å; L918-Y929 HydrophobicContact CD1-CD2 4.13Å; L918-Y929 HydrophobicContact CD1-CE1 3.92Å; L918-Y929 HydrophobicContact CD1-CE2 4.1Å; L918-Y929 HydrophobicContact CD1-CG 4.1Å; L918-Y929 HydrophobicContact CG-CD1 4.37Å; Y929-P931 HydrophobicContact CD1-CB 4.4Å; Y929-P931 HydrophobicContact CD1-CG 4.15Å; Y929-P931 HydrophobicContact CE1-CB 3.62Å; Y929-P931 HydrophobicContact CE1-CG 3.81Å; Y929-P931 WeakPolarHBondContact O-CD 3.49Å; Y929-K937 WeakPolarHBondContact CE2-O 3.46Å
930	F	69.5	Low	64.4	Low	43 Å²	43	44.2 Å²	44.2	19%	0.189	21%	0.211	C	C	.	.			trans	-128.1	66.7	-169	-67.6	-75	0	0	0	111.8	L928 K932 H933 L936 K937 I941 F947	L928-F930 HydrophobicContact CB-CE2 3.81Å; L928-F930 HydrophobicContact CB-CZ 4.18Å; L928-F930 HydrophobicContact CD1-CE2 4.43Å; L928-F930 HydrophobicContact CD1-CZ 4.37Å; F930-K932 VanDerWaalsContact C-N 3.25Å; F930-K932 PolarHBondContact O-N 3.1Å; F930-K932 VanDerWaalsContact O-N 3.12Å; F930-H933 HydrophobicContact CB-CB 3.73Å; F930-H933 WeakPolarHBondContact O-CB 3.44Å; F930-H933 PolarHBondContact O-N 3.43Å; F930-L936 HydrophobicContact CB-CB 3.8Å; F930-L936 HydrophobicContact CD2-CB 4.19Å; F930-L936 HydrophobicContact CD2-CD1 3.89Å; F930-L936 HydrophobicContact CE2-CD1 4.33Å; F930-L936 HydrophobicContact CG-CB 4.35Å; F930-L936 HydrophobicContact CG-CD1 4.35Å; F930-K937 WeakPolarHBondContact O-CA 3.43Å; F930-K937 PolarHBondContact O-N 2.95Å; F930-I941 HydrophobicContact CD2-CD1 3.95Å; F930-I941 HydrophobicContact CE2-CD1 3.74Å; F930-F947 AromaticContact CE2-CE1 3.95Å; F930-F947 HydrophobicContact CE2-CE1 3.95Å; F930-F947 HydrophobicContact CE2-CE2 4.24Å; F930-F947 AromaticContact CE2-CZ 3.6Å; F930-F947 HydrophobicContact CE2-CZ 3.6Å; F930-F947 AromaticContact CZ-CE1 3.75Å; F930-F947 HydrophobicContact CZ-CE1 3.75Å; F930-F947 AromaticContact CZ-CZ 3.7Å; F930-F947 HydrophobicContact CZ-CZ 3.7Å
931	P	62.8	Low	64.6	Low	32 Å²	32	43.1 Å²	43.1	21%	0.208	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.1	-169.2	20.9	-31.6	0	0	0	113.9	E915 Y929 K937	E915-P931 WeakPolarHBondContact OE1-CB 3.36Å; Y929-P931 HydrophobicContact CD1-CB 4.4Å; Y929-P931 HydrophobicContact CD1-CG 4.15Å; Y929-P931 HydrophobicContact CE1-CB 3.62Å; Y929-P931 HydrophobicContact CE1-CG 3.81Å; Y929-P931 WeakPolarHBondContact O-CD 3.49Å; P931-K937 VanDerWaalsContact O-CB 3.31Å; P931-K937 WeakPolarHBondContact O-CB 3.29Å
932	K	56.5	Low	64.6	Low	138 Å²	138	43.5 Å²	43.5	60%	0.6	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-7.6	-179.5	-61.4	-172.3	178.2	-173.8	0	113.6	F930	F930-K932 VanDerWaalsContact C-N 3.25Å; F930-K932 PolarHBondContact O-N 3.1Å; F930-K932 VanDerWaalsContact O-N 3.12Å
933	H	55.8	Low	64.4	Low	62 Å²	62	43.6 Å²	43.6	29%	0.287	21%	0.21	S	C	.	.	S	Bend	trans	-86.8	125	-172	-164.5	-82.7	0	0	0	111.8	F930 Y935 L936 K937 C1011	F930-H933 HydrophobicContact CB-CB 3.73Å; F930-H933 WeakPolarHBondContact O-CB 3.44Å; F930-H933 PolarHBondContact O-N 3.43Å; H933-Y935 PolarHBondContact O-N 3.09Å; H933-L936 HydrophobicContact CB-CB 3.99Å; H933-L936 PolarHBondContact ND1-N 2.92Å; H933-L936 PolarHBondContact O-N 2.86Å; H933-K937 WeakPolarHBondContact O-CB 3.45Å; H933-K937 PolarHBondContact O-N 2.99Å; H933-C1011 VanDerWaalsContact CE1-CB 3.5Å; H933-C1011 WeakPolarHBondContact CE1-CB 3.23Å; H933-C1011 PolarHBondContact CE1-SG 3.37Å
934	K	50.4	Low	64.8	Low	144 Å²	144	42 Å²	42	63%	0.626	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-33.7	-170	-174.9	178.6	175.7	-167.5	0	114.6
935	Y	53.6	Low	64.7	Low	70 Å²	70	43.5 Å²	43.5	28%	0.275	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-13.2	-176.8	-54.3	-80.7	0	0	0	114.5	H933 Y939	H933-Y935 PolarHBondContact O-N 3.09Å; Y935-Y939 WeakPolarHBondContact O-CD2 3.38Å
936	L	62.9	Low	64.7	Low	8 Å²	8	45.2 Å²	45.2	4%	0.042	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-3.6	-176.8	-63.5	174.1	0	0	0	113.2	F930 H933 D938 Y939 C1011	F930-L936 HydrophobicContact CB-CB 3.8Å; F930-L936 HydrophobicContact CD2-CB 4.19Å; F930-L936 HydrophobicContact CD2-CD1 3.89Å; F930-L936 HydrophobicContact CE2-CD1 4.33Å; F930-L936 HydrophobicContact CG-CB 4.35Å; F930-L936 HydrophobicContact CG-CD1 4.35Å; H933-L936 HydrophobicContact CB-CB 3.99Å; H933-L936 PolarHBondContact ND1-N 2.92Å; H933-L936 PolarHBondContact O-N 2.86Å; L936-D938 PolarHBondContact O-N 3.46Å; L936-Y939 PolarHBondContact O-N 3.4Å; L936-C1011 HydrophobicContact CD1-CB 4.45Å
937	K	65.2	Low	64.7	Low	86 Å²	86	42.5 Å²	42.5	37%	0.374	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.7	177.3	60.3	165	-171.4	84.7	0	114.7	Y929 F930 P931 H933	Y929-K937 WeakPolarHBondContact CE2-O 3.46Å; F930-K937 WeakPolarHBondContact O-CA 3.43Å; F930-K937 PolarHBondContact O-N 2.95Å; P931-K937 VanDerWaalsContact O-CB 3.31Å; P931-K937 WeakPolarHBondContact O-CB 3.29Å; H933-K937 WeakPolarHBondContact O-CB 3.45Å; H933-K937 PolarHBondContact O-N 2.99Å
938	D	71.2	Confident	64.1	Low	63 Å²	63	43.1 Å²	43.1	34%	0.337	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	14.6	-176.7	-51.9	-39.8	0	0	0	111.6	L878 L936	L878-D938 PolarHBondContact N-O 3.06Å; L936-D938 PolarHBondContact O-N 3.46Å
939	Y	70.4	Confident	63.4	Low	38 Å²	38	45.7 Å²	45.7	15%	0.149	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	139.2	-176.4	-66.4	-72.1	0	0	0	112.7	M875 V876 K877 Y935 L936	M875-Y939 HydrophobicContact CE-CD1 3.46Å; M875-Y939 VanDerWaalsContact CE-CD1 3.46Å; M875-Y939 HydrophobicContact CE-CD2 4.47Å; M875-Y939 HydrophobicContact CE-CE1 3.64Å; M875-Y939 HydrophobicContact CE-CG 3.9Å; M875-Y939 HydrophobicContact CG-CD1 3.98Å; M875-Y939 HydrophobicContact CG-CG 4.24Å; M875-Y939 HydrophobicContact SD-CD1 3.79Å; M875-Y939 HydrophobicContact SD-CD2 4.44Å; M875-Y939 HydrophobicContact SD-CG 3.72Å; V876-Y939 WeakPolarHBondContact O-CA 3.43Å; K877-Y939 HydrophobicContact CB-CD1 4.43Å; K877-Y939 HydrophobicContact CB-CE1 4.34Å; K877-Y939 HydrophobicContact CG-CE1 4.34Å; Y935-Y939 WeakPolarHBondContact O-CD2 3.38Å; L936-Y939 PolarHBondContact O-N 3.4Å
940	L	74.2	Confident	62.6	Low	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.9	173.2	-174	63.3	0	0	0	108.9	M875 V876 L878 L901 L918 F927 L942	M875-L940 CarbonylContact C-O 3.52Å; M875-L940 VanDerWaalsContact CA-O 3.31Å; M875-L940 WeakPolarHBondContact CA-O 3.32Å; V876-L940 HydrophobicContact CB-CB 4.46Å; V876-L940 PolarHBondContact N-O 3.11Å; V876-L940 PolarHBondContact O-N 3.29Å; L878-L940 HydrophobicContact CD1-CB 4.17Å; L878-L940 HydrophobicContact CD2-CB 4.3Å; L878-L940 HydrophobicContact CG-CB 4.17Å; L901-L940 HydrophobicContact CD1-CD2 4.39Å; L918-L940 HydrophobicContact CD2-CD1 3.87Å; L918-L940 HydrophobicContact CD2-CD2 4.21Å; F927-L940 HydrophobicContact CD2-CD1 3.45Å; F927-L940 VanDerWaalsContact CD2-CD1 3.45Å; F927-L940 HydrophobicContact CD2-CG 4.46Å; F927-L940 HydrophobicContact CE2-CD1 3.64Å; F927-L940 HydrophobicContact CG-CD1 4.09Å; F927-L940 HydrophobicContact CZ-CD1 4.41Å; L940-L942 HydrophobicContact CD2-CD2 3.78Å; L940-L942 HydrophobicContact CG-CD2 3.76Å
941	I	70.1	Confident	62	Low	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	111.1	-177.2	-68.7	155	0	0	0	108.6	F874 M875 F927 L928 F930 F947	F874-I941 HydrophobicContact CE2-CG2 4.02Å; F874-I941 HydrophobicContact CZ-CG2 4.18Å; M875-I941 HydrophobicContact CG-CG1 4.01Å; M875-I941 HydrophobicContact SD-CG1 4.05Å; F927-I941 CarbonylContact C-O 3.59Å; F927-I941 WeakPolarHBondContact CA-O 3.36Å; F927-I941 VanDerWaalsContact CB-O 3.3Å; F927-I941 WeakPolarHBondContact CB-O 3.38Å; L928-I941 HydrophobicContact CB-CB 4.12Å; L928-I941 HydrophobicContact CB-CG2 4.35Å; L928-I941 HydrophobicContact CD1-CG2 4.48Å; L928-I941 PolarHBondContact N-O 2.88Å; L928-I941 PolarHBondContact O-N 3.39Å; F930-I941 HydrophobicContact CD2-CD1 3.95Å; F930-I941 HydrophobicContact CE2-CD1 3.74Å; I941-F947 HydrophobicContact CD1-CD2 3.76Å; I941-F947 HydrophobicContact CD1-CE2 3.7Å; I941-F947 HydrophobicContact CD1-CG 4.47Å; I941-F947 HydrophobicContact CD1-CZ 4.35Å; I941-F947 HydrophobicContact CG2-CB 3.8Å; I941-F947 HydrophobicContact CG2-CD2 4.28Å; I941-F947 HydrophobicContact CG2-CG 4.15Å
942	L	68.5	Low	61.4	Low	12 Å²	12	43.4 Å²	43.4	6%	0.063	21%	0.21	C	C	.	.			trans	-87.3	-20.1	-168.2	-59.1	-178.9	0	0	0	114.1	V866 L870 F874 V876 F927 L940 P944	V866-L942 HydrophobicContact CG1-CD2 3.94Å; V866-L942 HydrophobicContact CG2-CD2 4.43Å; L870-L942 HydrophobicContact CB-CD1 3.43Å; L870-L942 VanDerWaalsContact CB-CD1 3.43Å; L870-L942 HydrophobicContact CD1-CD1 4.35Å; L870-L942 HydrophobicContact CG-CD1 4.49Å; L870-L942 WeakPolarHBondContact O-CD1 3.44Å; F874-L942 PolarHBondContact O-N 3.5Å; V876-L942 HydrophobicContact CG2-CD1 3.63Å; V876-L942 HydrophobicContact CG2-CG 4.38Å; F927-L942 HydrophobicContact CB-CD2 4.28Å; L940-L942 HydrophobicContact CD2-CD2 3.78Å; L940-L942 HydrophobicContact CG-CD2 3.76Å; L942-P944 WeakPolarHBondContact O-CD 3.35Å
943	H	65.3	Low	61	Low	39 Å²	39	37.3 Å²	37.3	18%	0.181	19%	0.186	C	C	.	.			trans	-119.3	89.5	180	-68.7	-91.1	0	0	0	110.7	K871 Y873 F874 T945 V946 F947	K871-H943 PolarHBondContact O-NE2 3.41Å; Y873-H943 PolarHBondContact O-CD2 3.13Å; F874-H943 HydrophobicContact CD2-CB 4.21Å; H943-T945 PolarHBondContact O-N 2.9Å; H943-V946 HydrophobicContact CB-CB 4.03Å; H943-V946 HydrophobicContact CB-CG2 3.83Å; H943-V946 PolarHBondContact O-N 3.45Å; H943-V946 VanDerWaalsContact O-N 3.08Å; H943-F947 PolarHBondContact O-N 3.46Å; H943-F947 VanDerWaalsContact O-N 3.16Å
944	P	64.5	Low	60.7	Low	17 Å²	17	35.8 Å²	35.8	11%	0.11	18%	0.18	C	C	.	.	H	α-helix	trans	-52.6	-37.4	176.2	-25.2	32.5	0	0	0	112.9	L928 L942 V946 F947 L948	L928-P944 HydrophobicContact CD1-CB 4.15Å; L928-P944 HydrophobicContact CG-CB 4.17Å; L928-P944 HydrophobicContact CG-CG 4.16Å; L942-P944 WeakPolarHBondContact O-CD 3.35Å; P944-V946 PolarHBondContact O-N 3.38Å; P944-F947 PolarHBondContact O-N 2.93Å; P944-L948 WeakPolarHBondContact O-CB 3.19Å; P944-L948 VanDerWaalsContact O-CG 3.25Å; P944-L948 WeakPolarHBondContact O-CG 3.22Å; P944-L948 PolarHBondContact O-N 3.04Å
945	T	58.1	Low	60.4	Low	46 Å²	46	31.1 Å²	31.1	28%	0.282	16%	0.161	S	C	.	.	H	α-helix	trans	-57.6	-47.8	176.5	-43.5	0	0	0	0	112.2	I603 H943 L948 T949	I603-T945 HydrophobicContact CB-CG2 4.03Å; I603-T945 HydrophobicContact CG1-CG2 4.4Å; H943-T945 PolarHBondContact O-N 2.9Å; T945-L948 PolarHBondContact O-N 2.81Å; T945-T949 WeakPolarHBondContact O-CB 3.24Å; T945-T949 PolarHBondContact O-N 3.47Å; T945-T949 PolarHBondContact O-OG1 3.39Å
946	V	59.9	Low	59.9	Low	52 Å²	52	29.8 Å²	29.8	32%	0.315	16%	0.159	S	C	.	.	H	α-helix	trans	-67.9	-41.3	-178.7	177.7	0	0	0	0	110.2	F874 H943 P944 T949 I950	F874-V946 HydrophobicContact CD2-CB 3.7Å; F874-V946 HydrophobicContact CD2-CG1 3.52Å; F874-V946 HydrophobicContact CE2-CB 3.6Å; F874-V946 HydrophobicContact CE2-CG1 3.51Å; F874-V946 HydrophobicContact CG-CG1 4.28Å; F874-V946 HydrophobicContact CZ-CG1 4.22Å; H943-V946 HydrophobicContact CB-CB 4.03Å; H943-V946 HydrophobicContact CB-CG2 3.83Å; H943-V946 PolarHBondContact O-N 3.45Å; H943-V946 VanDerWaalsContact O-N 3.08Å; P944-V946 PolarHBondContact O-N 3.38Å; V946-T949 PolarHBondContact O-N 3.29Å; V946-I950 HydrophobicContact CG1-CD1 3.93Å; V946-I950 VanDerWaalsContact O-CG1 3.29Å; V946-I950 WeakPolarHBondContact O-CG1 3.26Å; V946-I950 PolarHBondContact O-N 3.44Å
947	F	64.7	Low	58.9	Low	9 Å²	9	30.9 Å²	30.9	4%	0.039	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-46.3	175.7	178.2	-105	0	0	0	112.4	F874 L928 F930 I941 H943 P944 T949 I950 I951 L1008 L1012	F874-F947 HydrophobicContact CE2-CB 4.16Å; F874-F947 HydrophobicContact CZ-CB 4.15Å; L928-F947 HydrophobicContact CD1-CB 4.27Å; L928-F947 HydrophobicContact CD1-CD1 3.23Å; L928-F947 HydrophobicContact CD1-CE1 3.65Å; L928-F947 HydrophobicContact CD1-CG 3.94Å; F930-F947 AromaticContact CE2-CE1 3.95Å; F930-F947 HydrophobicContact CE2-CE1 3.95Å; F930-F947 HydrophobicContact CE2-CE2 4.24Å; F930-F947 AromaticContact CE2-CZ 3.6Å; F930-F947 HydrophobicContact CE2-CZ 3.6Å; F930-F947 AromaticContact CZ-CE1 3.75Å; F930-F947 HydrophobicContact CZ-CE1 3.75Å; F930-F947 AromaticContact CZ-CZ 3.7Å; F930-F947 HydrophobicContact CZ-CZ 3.7Å; I941-F947 HydrophobicContact CD1-CD2 3.76Å; I941-F947 HydrophobicContact CD1-CE2 3.7Å; I941-F947 HydrophobicContact CD1-CG 4.47Å; I941-F947 HydrophobicContact CD1-CZ 4.35Å; I941-F947 HydrophobicContact CG2-CB 3.8Å; I941-F947 HydrophobicContact CG2-CD2 4.28Å; I941-F947 HydrophobicContact CG2-CG 4.15Å; H943-F947 PolarHBondContact O-N 3.46Å; H943-F947 VanDerWaalsContact O-N 3.16Å; P944-F947 PolarHBondContact O-N 2.93Å; F947-T949 VanDerWaalsContact C-N 3.35Å; F947-I950 PolarHBondContact O-N 3.28Å; F947-I951 HydrophobicContact CD1-CD1 3.52Å; F947-I951 HydrophobicContact CD2-CD1 4.42Å; F947-I951 HydrophobicContact CE1-CD1 3.25Å; F947-I951 HydrophobicContact CE1-CG1 4.47Å; F947-I951 HydrophobicContact CE2-CD1 4.18Å; F947-I951 HydrophobicContact CG-CD1 4.14Å; F947-I951 HydrophobicContact CZ-CD1 3.62Å; F947-I951 VanDerWaalsContact O-CG1 3.29Å; F947-I951 WeakPolarHBondContact O-CG1 3.32Å; F947-I951 PolarHBondContact O-N 3.14Å; F947-L1008 HydrophobicContact CD2-CD2 4.06Å; F947-L1008 HydrophobicContact CE2-CD2 3.77Å; F947-L1012 HydrophobicContact CZ-CD2 4.29Å
948	L	59.8	Low	57.5	Low	14 Å²	14	30.9 Å²	30.9	7%	0.073	17%	0.168	C	C	.	.	H	α-helix	trans	-68.7	-32.5	177.3	-66.7	168.2	0	0	0	112.4	I601 I603 I644 L648 P944 T945 I951 N952	I601-L948 HydrophobicContact CD1-CB 4.28Å; I601-L948 HydrophobicContact CD1-CD1 4.14Å; I601-L948 HydrophobicContact CD1-CD2 3.93Å; I601-L948 HydrophobicContact CD1-CG 4.34Å; I601-L948 HydrophobicContact CG2-CD1 4.22Å; I603-L948 HydrophobicContact CD1-CD1 3.97Å; I644-L948 HydrophobicContact CD1-CD2 4.38Å; I644-L948 HydrophobicContact CG2-CD2 3.64Å; L648-L948 HydrophobicContact CD1-CD1 4.35Å; P944-L948 WeakPolarHBondContact O-CB 3.19Å; P944-L948 VanDerWaalsContact O-CG 3.25Å; P944-L948 WeakPolarHBondContact O-CG 3.22Å; P944-L948 PolarHBondContact O-N 3.04Å; T945-L948 PolarHBondContact O-N 2.81Å; L948-I951 HydrophobicContact CD2-CD1 4.29Å; L948-I951 PolarHBondContact O-N 2.97Å; L948-N952 WeakPolarHBondContact O-CB 3.41Å; L948-N952 PolarHBondContact O-N 2.52Å
949	T	54.1	Low	55.9	Low	75 Å²	75	29.9 Å²	29.9	46%	0.46	16%	0.162	S	C	.	.	H	α-helix	trans	-65.6	-44.8	172.2	-54.4	0	0	0	0	111.4	T945 V946 F947 N952 G953	T945-T949 WeakPolarHBondContact O-CB 3.24Å; T945-T949 PolarHBondContact O-N 3.47Å; T945-T949 PolarHBondContact O-OG1 3.39Å; V946-T949 PolarHBondContact O-N 3.29Å; F947-T949 VanDerWaalsContact C-N 3.35Å; T949-N952 PolarHBondContact O-N 2.81Å; T949-G953 PolarHBondContact O-N 2.86Å
950	I	56.5	Low	54.2	Low	16 Å²	16	30.1 Å²	30.1	8%	0.082	17%	0.166	C	C	.	.	H	α-helix	trans	-60.1	-47.3	174.7	-69.9	164.3	0	0	0	110.4	F874 V946 F947 N952 G953 I954	F874-I950 HydrophobicContact CE1-CD1 4.14Å; F874-I950 HydrophobicContact CZ-CD1 3.91Å; V946-I950 HydrophobicContact CG1-CD1 3.93Å; V946-I950 VanDerWaalsContact O-CG1 3.29Å; V946-I950 WeakPolarHBondContact O-CG1 3.26Å; V946-I950 PolarHBondContact O-N 3.44Å; F947-I950 PolarHBondContact O-N 3.28Å; I950-N952 VanDerWaalsContact C-N 3.34Å; I950-N952 PolarHBondContact O-N 3.46Å; I950-G953 PolarHBondContact O-N 3.46Å; I950-I954 HydrophobicContact CG2-CD1 3.89Å; I950-I954 WeakPolarHBondContact O-CG1 3.42Å; I950-I954 PolarHBondContact O-N 3.27Å
951	I	57.2	Low	52	Low	6 Å²	6	31.5 Å²	31.5	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-59.5	-44.4	177.1	-68.1	162.4	0	0	0	111.5	I644 F947 L948 G953 I954 I955 L1012	I644-I951 HydrophobicContact CD1-CB 4.45Å; I644-I951 HydrophobicContact CD1-CD1 4.28Å; I644-I951 HydrophobicContact CD1-CG2 3.53Å; F947-I951 HydrophobicContact CD1-CD1 3.52Å; F947-I951 HydrophobicContact CD2-CD1 4.42Å; F947-I951 HydrophobicContact CE1-CD1 3.25Å; F947-I951 HydrophobicContact CE1-CG1 4.47Å; F947-I951 HydrophobicContact CE2-CD1 4.18Å; F947-I951 HydrophobicContact CG-CD1 4.14Å; F947-I951 HydrophobicContact CZ-CD1 3.62Å; F947-I951 VanDerWaalsContact O-CG1 3.29Å; F947-I951 WeakPolarHBondContact O-CG1 3.32Å; F947-I951 PolarHBondContact O-N 3.14Å; L948-I951 HydrophobicContact CD2-CD1 4.29Å; L948-I951 PolarHBondContact O-N 2.97Å; I951-G953 VanDerWaalsContact C-N 3.33Å; I951-G953 PolarHBondContact O-N 3.42Å; I951-I954 PolarHBondContact O-N 2.94Å; I951-I954 VanDerWaalsContact O-N 3.16Å; I951-I955 HydrophobicContact CG2-CD1 3.34Å; I951-I955 HydrophobicContact CG2-CG1 4.02Å; I951-I955 WeakPolarHBondContact O-CB 3.29Å; I951-I955 WeakPolarHBondContact O-CG1 3.4Å; I951-I955 PolarHBondContact O-N 3.13Å; I951-L1012 HydrophobicContact CD1-CD1 4.33Å; I951-L1012 HydrophobicContact CD1-CD2 3.86Å; I951-L1012 HydrophobicContact CG1-CD1 3.46Å; I951-L1012 VanDerWaalsContact CG1-CD1 3.46Å; I951-L1012 HydrophobicContact CG1-CD2 3.77Å; I951-L1012 HydrophobicContact CG1-CG 4.17Å
952	N	51.6	Low	50.1	Low	17 Å²	17	33 Å²	33	9%	0.091	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-39.1	177.9	-177.4	56.7	0	0	0	112.2	P600 L948 T949 I950 I954 I955 N956	P600-N952 VanDerWaalsContact CD-ND2 3.3Å; P600-N952 WeakPolarHBondContact CD-ND2 3.41Å; P600-N952 WeakPolarHBondContact CD-OD1 3.43Å; P600-N952 HydrophobicContact CG-CB 4.49Å; P600-N952 WeakPolarHBondContact CG-OD1 3.5Å; L948-N952 WeakPolarHBondContact O-CB 3.41Å; L948-N952 PolarHBondContact O-N 2.52Å; T949-N952 PolarHBondContact O-N 2.81Å; I950-N952 VanDerWaalsContact C-N 3.34Å; I950-N952 PolarHBondContact O-N 3.46Å; N952-I954 VanDerWaalsContact C-N 3.29Å; N952-I954 PolarHBondContact O-N 2.97Å; N952-I955 PolarHBondContact O-N 2.98Å; N952-N956 WeakPolarHBondContact O-CB 3.37Å; N952-N956 PolarHBondContact O-N 3.31Å; N952-N956 PolarHBondContact OD1-ND2 2.94Å
953	G	46.6	Very low	48.2	Very low	9 Å²	9	35 Å²	35	9%	0.093	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-36.1	173.4	0	0	0	0	0	113.2	T949 I950 I951 I960	T949-G953 PolarHBondContact O-N 2.86Å; I950-G953 PolarHBondContact O-N 3.46Å; I951-G953 VanDerWaalsContact C-N 3.33Å; I951-G953 PolarHBondContact O-N 3.42Å; G953-I960 VanDerWaalsContact O-CD1 3.23Å; G953-I960 WeakPolarHBondContact O-CD1 3.5Å
954	I	49.4	Very low	46.5	Very low	30 Å²	30	40.5 Å²	40.5	15%	0.154	22%	0.223	C	C	.	.	H	α-helix	trans	-73	-44.5	175.8	-64.5	163.8	0	0	0	111.6	I950 I951 N952 I1009 L1012	I950-I954 HydrophobicContact CG2-CD1 3.89Å; I950-I954 WeakPolarHBondContact O-CG1 3.42Å; I950-I954 PolarHBondContact O-N 3.27Å; I951-I954 PolarHBondContact O-N 2.94Å; I951-I954 VanDerWaalsContact O-N 3.16Å; N952-I954 VanDerWaalsContact C-N 3.29Å; N952-I954 PolarHBondContact O-N 2.97Å; I954-I1009 HydrophobicContact CD1-CG1 3.93Å; I954-I1009 HydrophobicContact CG1-CG1 4.33Å; I954-L1012 HydrophobicContact CD1-CD1 4.08Å
955	I	45.5	Very low	44.8	Very low	46 Å²	46	46 Å²	46	24%	0.236	24%	0.242	C	C	.	.	H	α-helix	trans	-74	-38.9	-175.6	-69.3	173.4	0	0	0	112.1	I644 I951 N952 P957	I644-I955 HydrophobicContact CD1-CD1 4.43Å; I951-I955 HydrophobicContact CG2-CD1 3.34Å; I951-I955 HydrophobicContact CG2-CG1 4.02Å; I951-I955 WeakPolarHBondContact O-CB 3.29Å; I951-I955 WeakPolarHBondContact O-CG1 3.4Å; I951-I955 PolarHBondContact O-N 3.13Å; N952-I955 PolarHBondContact O-N 2.98Å; I955-P957 WeakPolarHBondContact O-CD 3.29Å
956	N	42.3	Very low	43.5	Very low	43 Å²	43	50.8 Å²	50.8	23%	0.23	27%	0.266	C	S	.	.			trans	-116.7	66.9	-175.7	-68.3	-46.6	0	0	0	110.7	N952 Q958 I959	N952-N956 WeakPolarHBondContact O-CB 3.37Å; N952-N956 PolarHBondContact O-N 3.31Å; N952-N956 PolarHBondContact OD1-ND2 2.94Å; N956-Q958 PolarHBondContact O-N 3.01Å; N956-Q958 VanDerWaalsContact O-N 3.07Å; N956-I959 HydrophobicContact CB-CD1 3.44Å; N956-I959 VanDerWaalsContact CB-CD1 3.44Å; N956-I959 HydrophobicContact CB-CG1 3.78Å; N956-I959 WeakPolarHBondContact O-CB 3.33Å; N956-I959 WeakPolarHBondContact O-CG1 3.47Å; N956-I959 PolarHBondContact O-N 2.82Å
957	P	41.4	Very low	42	Very low	30 Å²	30	55.8 Å²	55.8	20%	0.195	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.8	-179.9	26.3	-35.2	0	0	0	112.8	I955 I959 I960 T961 F1112	I955-P957 WeakPolarHBondContact O-CD 3.29Å; P957-I959 PolarHBondContact O-N 3.33Å; P957-I959 VanDerWaalsContact O-N 3.11Å; P957-I960 WeakPolarHBondContact O-CA 3.31Å; P957-I960 WeakPolarHBondContact O-CB 3.31Å; P957-I960 PolarHBondContact O-N 3.24Å; P957-T961 PolarHBondContact O-N 3.42Å; P957-T961 VanDerWaalsContact O-N 3.11Å; P957-T961 PolarHBondContact O-OG1 3.21Å; P957-F1112 HydrophobicContact CB-CD1 4.17Å; P957-F1112 HydrophobicContact CB-CE1 3.22Å; P957-F1112 HydrophobicContact CB-CZ 3.46Å; P957-F1112 VanDerWaalsContact CB-CZ 3.46Å; P957-F1112 HydrophobicContact CG-CD1 4.21Å; P957-F1112 HydrophobicContact CG-CE1 3.61Å; P957-F1112 HydrophobicContact CG-CE2 4.37Å; P957-F1112 HydrophobicContact CG-CZ 3.69Å
958	Q	36.5	Very low	40.2	Very low	86 Å²	86	61.1 Å²	61.1	40%	0.402	33%	0.326	S	S	.	.	H	α-helix	trans	-51.7	-29	171.2	-58.6	-161.2	-16.8	0	0	113.4	N956 T961 S962 F1084	N956-Q958 PolarHBondContact O-N 3.01Å; N956-Q958 VanDerWaalsContact O-N 3.07Å; Q958-T961 WeakPolarHBondContact CA-OG1 3.34Å; Q958-S962 WeakPolarHBondContact O-CB 3.38Å; Q958-S962 PolarHBondContact O-N 3.17Å; Q958-S962 PolarHBondContact O-OG 3.1Å; Q958-F1084 HydrophobicContact CB-CD2 4.16Å; Q958-F1084 HydrophobicContact CB-CE2 3.38Å; Q958-F1084 HydrophobicContact CB-CZ 3.58Å; Q958-F1084 HydrophobicContact CG-CD2 3.58Å; Q958-F1084 HydrophobicContact CG-CE2 3.31Å; Q958-F1084 HydrophobicContact CG-CG 4.44Å; Q958-F1084 HydrophobicContact CG-CZ 3.98Å; Q958-F1084 WeakPolarHBondContact O-CZ 3.29Å
959	I	37.9	Very low	38.8	Very low	42 Å²	42	66.2 Å²	66.2	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-79.9	-25	179.9	-56.5	-177.4	0	0	0	111.5	W598 N956 P957 S962	W598-I959 HydrophobicContact CB-CG2 3.76Å; W598-I959 HydrophobicContact CE3-CB 4.26Å; W598-I959 HydrophobicContact CE3-CG1 4.01Å; W598-I959 HydrophobicContact CE3-CG2 4.07Å; W598-I959 VanDerWaalsContact O-CD1 3.29Å; W598-I959 WeakPolarHBondContact O-CD1 3.48Å; N956-I959 HydrophobicContact CB-CD1 3.44Å; N956-I959 VanDerWaalsContact CB-CD1 3.44Å; N956-I959 HydrophobicContact CB-CG1 3.78Å; N956-I959 WeakPolarHBondContact O-CB 3.33Å; N956-I959 WeakPolarHBondContact O-CG1 3.47Å; N956-I959 PolarHBondContact O-N 2.82Å; P957-I959 PolarHBondContact O-N 3.33Å; P957-I959 VanDerWaalsContact O-N 3.11Å; I959-S962 PolarHBondContact O-OG 2.76Å
960	I	33.9	Very low	37.8	Very low	44 Å²	44	67.4 Å²	67.4	23%	0.226	37%	0.365	C	S	.	.	H	α-helix	trans	-80.1	-33.5	173.9	-56.8	171.3	0	0	0	109.9	G953 P957 Y979	G953-I960 VanDerWaalsContact O-CD1 3.23Å; G953-I960 WeakPolarHBondContact O-CD1 3.5Å; P957-I960 WeakPolarHBondContact O-CA 3.31Å; P957-I960 WeakPolarHBondContact O-CB 3.31Å; P957-I960 PolarHBondContact O-N 3.24Å; I960-Y979 HydrophobicContact CD1-CE1 3.92Å; I960-Y979 HydrophobicContact CD1-CE2 4.14Å; I960-Y979 VanDerWaalsContact CD1-CZ 3.49Å; I960-Y979 VanDerWaalsContact CD1-OH 3.22Å; I960-Y979 WeakPolarHBondContact CD1-OH 3.2Å
961	T	29.3	Very low	36.7	Very low	28 Å²	28	71.6 Å²	71.6	17%	0.172	39%	0.388	C	S	.	.	H	α-helix	trans	-94.7	-20.3	-175.7	40.3	0	0	0	0	114.9	P957 Q958 Y964 F1084	P957-T961 PolarHBondContact O-N 3.42Å; P957-T961 VanDerWaalsContact O-N 3.11Å; P957-T961 PolarHBondContact O-OG1 3.21Å; Q958-T961 WeakPolarHBondContact CA-OG1 3.34Å; T961-Y964 WeakPolarHBondContact O-CB 3.32Å; T961-Y964 PolarHBondContact O-N 3.08Å; T961-Y964 VanDerWaalsContact O-N 3.15Å; T961-F1084 WeakPolarHBondContact OG1-CD1 3.41Å; T961-F1084 WeakPolarHBondContact OG1-CE1 3.18Å
962	S	29.5	Very low	35.5	Very low	32 Å²	32	79.7 Å²	79.7	22%	0.224	42%	0.423	C	S	.	.	H	α-helix	trans	-65.4	-42.7	168.1	59.2	0	0	0	0	111.8	W598 Q958 I959 Y964 Y965	W598-S962 VanDerWaalsContact CZ3-CB 3.41Å; W598-S962 WeakPolarHBondContact CZ3-OG 3.3Å; Q958-S962 WeakPolarHBondContact O-CB 3.38Å; Q958-S962 PolarHBondContact O-N 3.17Å; Q958-S962 PolarHBondContact O-OG 3.1Å; I959-S962 PolarHBondContact O-OG 2.76Å; S962-Y964 PolarHBondContact O-N 3.47Å; S962-Y965 PolarHBondContact O-N 3.19Å; S962-Y965 VanDerWaalsContact O-N 3.13Å
963	A	28.9	Very low	34.7	Very low	54 Å²	54	81.3 Å²	81.3	45%	0.446	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-10.2	170.7	0	0	0	0	0	113.7
964	Y	28.4	Very low	34.1	Very low	154 Å²	154	84 Å²	84	60%	0.604	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-19.9	-179.5	-142.7	-88.1	0	0	0	113.2	T961 S962 L976	T961-Y964 WeakPolarHBondContact O-CB 3.32Å; T961-Y964 PolarHBondContact O-N 3.08Å; T961-Y964 VanDerWaalsContact O-N 3.15Å; S962-Y964 PolarHBondContact O-N 3.47Å; Y964-L976 HydrophobicContact CE2-CD1 4.19Å
965	Y	29.6	Very low	33.4	Very low	133 Å²	133	88 Å²	88	52%	0.522	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-20.1	-173.1	-96.9	-82.6	0	0	0	114.6	S962 N1085	S962-Y965 PolarHBondContact O-N 3.19Å; S962-Y965 VanDerWaalsContact O-N 3.13Å; Y965-N1085 PolarHBondContact OH-O 2.7Å
966	D	30.7	Very low	33	Very low	147 Å²	147	89.7 Å²	89.7	79%	0.786	47%	0.471	S	S	*	.	S	Bend	trans	-104.5	8.4	-166.3	-137.4	9.3	0	0	0	114.9
967	M	27.5	Very low	32.8	Very low	157 Å²	157	93.2 Å²	93.2	77%	0.773	48%	0.481	S	S	*	.			trans	-134.5	92.8	-171.7	-79.2	-71.8	-177.7	0	0	113.9	N969	M967-N969 VanDerWaalsContact C-N 3.27Å; M967-N969 PolarHBondContact O-N 3.16Å
968	S	28.5	Very low	32.9	Very low	120 Å²	120	97.8 Å²	97.8	84%	0.839	49%	0.494	S	S	*	.			trans	-78.7	53.2	177.4	51.2	0	0	0	0	114
969	N	28.9	Very low	33.1	Very low	121 Å²	121	96.3 Å²	96.3	65%	0.647	49%	0.485	S	S	*	.	S	Bend	trans	-146	164.4	179	-110.1	-42.8	0	0	0	116.6	M967 N971	M967-N969 VanDerWaalsContact C-N 3.27Å; M967-N969 PolarHBondContact O-N 3.16Å; N969-N971 VanDerWaalsContact C-N 3.3Å; N969-N971 PolarHBondContact O-N 3.29Å; N969-N971 VanDerWaalsContact O-N 3.15Å
970	S	35	Very low	33.1	Very low	101 Å²	101	97 Å²	97	71%	0.706	49%	0.489	S	S	*	.	S	Bend	trans	-72	-1.5	-162.3	51.4	0	0	0	0	117.4	K972	S970-K972 PolarHBondContact O-N 2.89Å
971	N	33.2	Very low	33.5	Very low	103 Å²	103	96.1 Å²	96.1	55%	0.551	49%	0.487	S	S	*	.			trans	-73	16.2	-178.6	-70.1	-24.1	0	0	0	114.8	N969 S973 L974	N969-N971 VanDerWaalsContact C-N 3.3Å; N969-N971 PolarHBondContact O-N 3.29Å; N969-N971 VanDerWaalsContact O-N 3.15Å; N971-S973 PolarHBondContact O-N 3.44Å; N971-L974 PolarHBondContact O-N 2.91Å
972	K	31.8	Very low	34	Very low	177 Å²	177	97.2 Å²	97.2	77%	0.77	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-11.8	-165.3	-66.9	-175	173.2	-177.4	0	117.8	S970	S970-K972 PolarHBondContact O-N 2.89Å
973	S	33.8	Very low	34.4	Very low	50 Å²	50	97.5 Å²	97.5	35%	0.35	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-22.6	-179.1	75.2	0	0	0	0	114.8	N971 R977	N971-S973 PolarHBondContact O-N 3.44Å; S973-R977 WeakPolarHBondContact O-CB 3.14Å; S973-R977 VanDerWaalsContact O-CD 3.3Å; S973-R977 WeakPolarHBondContact O-CD 3.15Å; S973-R977 WeakPolarHBondContact O-CG 3.26Å; S973-R977 PolarHBondContact O-N 3.36Å; S973-R977 VanDerWaalsContact OG-CZ 3.31Å
974	L	33.5	Very low	34.7	Very low	67 Å²	67	95.7 Å²	95.7	35%	0.351	48%	0.481	S	S	.	.	H	α-helix	trans	-72.9	-42.5	-168.2	-90.8	145.4	0	0	0	113.8	N587 N971 R977 W978	N587-L974 HydrophobicContact CB-CD2 4.49Å; N971-L974 PolarHBondContact O-N 2.91Å; L974-R977 PolarHBondContact O-N 3.34Å; L974-W978 VanDerWaalsContact O-CB 3.31Å; L974-W978 WeakPolarHBondContact O-CB 3.18Å; L974-W978 PolarHBondContact O-N 2.9Å
975	Y	35.3	Very low	35.1	Very low	112 Å²	112	91.1 Å²	91.1	44%	0.439	48%	0.481	S	S	.	.	H	α-helix	trans	-69.1	-41.3	-179.8	-163.4	-100.5	0	0	0	112	L594 W978 Y979	L594-Y975 HydrophobicContact CD2-CE2 4.28Å; Y975-W978 HydrophobicContact CD2-CE3 4.47Å; Y975-W978 HydrophobicContact CE2-CE3 4.3Å; Y975-W978 HydrophobicContact CE2-CZ3 4.28Å; Y975-W978 PolarHBondContact O-N 2.72Å; Y975-Y979 WeakPolarHBondContact O-CB 3.29Å; Y975-Y979 PolarHBondContact O-N 3.16Å
976	L	36.6	Very low	35.4	Very low	83 Å²	83	88.7 Å²	88.7	44%	0.435	47%	0.472	S	S	.	.	H	α-helix	trans	-66.4	-41	174.9	-139.2	94.4	0	0	0	111.4	Y964 Y979 L980	Y964-L976 HydrophobicContact CE2-CD1 4.19Å; L976-Y979 PolarHBondContact O-N 3.44Å; L976-L980 HydrophobicContact CD2-CD1 4.27Å; L976-L980 VanDerWaalsContact O-CB 3.31Å; L976-L980 WeakPolarHBondContact O-CB 3.12Å; L976-L980 WeakPolarHBondContact O-CG 3.23Å; L976-L980 PolarHBondContact O-N 2.94Å
977	R	38.6	Very low	35.7	Very low	117 Å²	117	85.1 Å²	85.1	44%	0.442	46%	0.458	S	S	.	.	H	α-helix	trans	-62.5	-43.4	172.9	-78.5	167	-174.7	-173.3	6.6	111.9	S973 L974 L980 S981 N988	S973-R977 WeakPolarHBondContact O-CB 3.14Å; S973-R977 VanDerWaalsContact O-CD 3.3Å; S973-R977 WeakPolarHBondContact O-CD 3.15Å; S973-R977 WeakPolarHBondContact O-CG 3.26Å; S973-R977 PolarHBondContact O-N 3.36Å; S973-R977 VanDerWaalsContact OG-CZ 3.31Å; L974-R977 PolarHBondContact O-N 3.34Å; R977-L980 PolarHBondContact O-N 3.36Å; R977-S981 VanDerWaalsContact O-CB 3.28Å; R977-S981 WeakPolarHBondContact O-CB 3.31Å; R977-S981 PolarHBondContact O-N 3.41Å; R977-S981 PolarHBondContact O-OG 3.36Å; R977-N988 WeakPolarHBondContact CB-OD1 3.48Å; R977-N988 VanDerWaalsContact CD-OD1 3.29Å; R977-N988 WeakPolarHBondContact CD-OD1 3.41Å; R977-N988 WeakPolarHBondContact CG-OD1 3.33Å
978	W	44.5	Very low	36	Very low	126 Å²	126	81.5 Å²	81.5	48%	0.477	44%	0.442	S	S	.	.	H	α-helix	trans	-61.9	-46.6	176.2	175.2	77.2	0	0	0	111.6	L974 Y975 L980 S981 A982	L974-W978 VanDerWaalsContact O-CB 3.31Å; L974-W978 WeakPolarHBondContact O-CB 3.18Å; L974-W978 PolarHBondContact O-N 2.9Å; Y975-W978 HydrophobicContact CD2-CE3 4.47Å; Y975-W978 HydrophobicContact CE2-CE3 4.3Å; Y975-W978 HydrophobicContact CE2-CZ3 4.28Å; Y975-W978 PolarHBondContact O-N 2.72Å; W978-L980 PolarHBondContact O-N 3.49Å; W978-S981 PolarHBondContact O-N 2.93Å; W978-A982 VanDerWaalsContact O-CB 3.24Å; W978-A982 WeakPolarHBondContact O-CB 3.46Å; W978-A982 PolarHBondContact O-N 2.87Å
979	Y	40	Very low	36.3	Very low	54 Å²	54	84 Å²	84	21%	0.212	44%	0.441	C	S	.	.	H	α-helix	trans	-62.2	-42.9	176.1	-169.4	-112.1	0	0	0	111.9	I960 Y975 L976 A982 I983	I960-Y979 HydrophobicContact CD1-CE1 3.92Å; I960-Y979 HydrophobicContact CD1-CE2 4.14Å; I960-Y979 VanDerWaalsContact CD1-CZ 3.49Å; I960-Y979 VanDerWaalsContact CD1-OH 3.22Å; I960-Y979 WeakPolarHBondContact CD1-OH 3.2Å; Y975-Y979 WeakPolarHBondContact O-CB 3.29Å; Y975-Y979 PolarHBondContact O-N 3.16Å; L976-Y979 PolarHBondContact O-N 3.44Å; Y979-A982 PolarHBondContact O-N 3.24Å; Y979-I983 HydrophobicContact CD1-CD1 3.65Å; Y979-I983 HydrophobicContact CD2-CD1 4.44Å; Y979-I983 HydrophobicContact CE1-CD1 3.3Å; Y979-I983 HydrophobicContact CE2-CD1 4.15Å; Y979-I983 HydrophobicContact CG-CD1 4.21Å; Y979-I983 WeakPolarHBondContact O-CB 3.35Å; Y979-I983 VanDerWaalsContact O-CG1 3.29Å; Y979-I983 WeakPolarHBondContact O-CG1 3.44Å; Y979-I983 PolarHBondContact O-N 2.92Å
980	L	38.7	Very low	36.8	Very low	56 Å²	56	79.7 Å²	79.7	29%	0.293	42%	0.419	S	S	.	.	H	α-helix	trans	-69.9	-36.5	176.7	-70.2	171.3	0	0	0	113.2	L976 R977 W978 S984 L991 F995	L976-L980 HydrophobicContact CD2-CD1 4.27Å; L976-L980 VanDerWaalsContact O-CB 3.31Å; L976-L980 WeakPolarHBondContact O-CB 3.12Å; L976-L980 WeakPolarHBondContact O-CG 3.23Å; L976-L980 PolarHBondContact O-N 2.94Å; R977-L980 PolarHBondContact O-N 3.36Å; W978-L980 PolarHBondContact O-N 3.49Å; L980-S984 WeakPolarHBondContact O-CB 3.38Å; L980-S984 PolarHBondContact O-N 3.1Å; L980-S984 PolarHBondContact O-OG 3.36Å; L980-L991 HydrophobicContact CB-CD1 4.47Å; L980-F995 HydrophobicContact CD2-CZ 4.34Å
981	S	40.5	Very low	36.8	Very low	27 Å²	27	75.5 Å²	75.5	19%	0.189	39%	0.389	C	S	.	.	H	α-helix	trans	-69	-38	172.2	-79.2	0	0	0	0	112	R977 W978 G985 Y986	R977-S981 VanDerWaalsContact O-CB 3.28Å; R977-S981 WeakPolarHBondContact O-CB 3.31Å; R977-S981 PolarHBondContact O-N 3.41Å; R977-S981 PolarHBondContact O-OG 3.36Å; W978-S981 PolarHBondContact O-N 2.93Å; S981-G985 WeakPolarHBondContact O-CA 3.39Å; S981-G985 PolarHBondContact O-N 3.24Å; S981-Y986 VanDerWaalsContact CB-O 3.3Å; S981-Y986 WeakPolarHBondContact CB-O 3.27Å; S981-Y986 PolarHBondContact OG-O 3.37Å
982	A	41	Very low	36.8	Very low	51 Å²	51	79.3 Å²	79.3	42%	0.421	40%	0.401	S	S	.	.	H	α-helix	trans	-67.7	-36	175.1	0	0	0	0	0	112.4	W978 Y979	W978-A982 VanDerWaalsContact O-CB 3.24Å; W978-A982 WeakPolarHBondContact O-CB 3.46Å; W978-A982 PolarHBondContact O-N 2.87Å; Y979-A982 PolarHBondContact O-N 3.24Å
983	I	37.5	Very low	36.9	Very low	37 Å²	37	77.7 Å²	77.7	19%	0.19	40%	0.396	C	S	.	.	H	α-helix	trans	-71.6	-42.2	174.9	-78.8	171.6	0	0	0	111.9	Y979 P1005	Y979-I983 HydrophobicContact CD1-CD1 3.65Å; Y979-I983 HydrophobicContact CD2-CD1 4.44Å; Y979-I983 HydrophobicContact CE1-CD1 3.3Å; Y979-I983 HydrophobicContact CE2-CD1 4.15Å; Y979-I983 HydrophobicContact CG-CD1 4.21Å; Y979-I983 WeakPolarHBondContact O-CB 3.35Å; Y979-I983 VanDerWaalsContact O-CG1 3.29Å; Y979-I983 WeakPolarHBondContact O-CG1 3.44Å; Y979-I983 PolarHBondContact O-N 2.92Å; I983-P1005 HydrophobicContact CG2-CB 3.48Å; I983-P1005 VanDerWaalsContact CG2-CB 3.48Å; I983-P1005 HydrophobicContact CG2-CG 3.48Å; I983-P1005 VanDerWaalsContact CG2-CG 3.48Å
984	S	35.9	Very low	36.9	Very low	16 Å²	16	76.7 Å²	76.7	11%	0.112	39%	0.385	C	S	.	.	H	α-helix	trans	-95.9	-26.3	-169.5	67.3	0	0	0	0	114.8	L980 Y986 L991	L980-S984 WeakPolarHBondContact O-CB 3.38Å; L980-S984 PolarHBondContact O-N 3.1Å; L980-S984 PolarHBondContact O-OG 3.36Å; S984-Y986 VanDerWaalsContact C-N 3.32Å; S984-Y986 WeakPolarHBondContact O-CD2 3.22Å; S984-Y986 WeakPolarHBondContact O-CE2 3.31Å; S984-Y986 PolarHBondContact OG-N 2.98Å; S984-L991 WeakPolarHBondContact OG-CD2 3.37Å
985	G	36.4	Very low	36.9	Very low	58 Å²	58	77.1 Å²	77.1	60%	0.598	38%	0.384	S	S	*	.			trans	80.1	5.5	-170.2	0	0	0	0	0	114.9	S981	S981-G985 WeakPolarHBondContact O-CA 3.39Å; S981-G985 PolarHBondContact O-N 3.24Å
986	Y	35	Very low	36.9	Very low	83 Å²	83	76.5 Å²	76.5	33%	0.325	40%	0.396	S	S	.	.			trans	-98	149.2	-175.5	-72.6	-94.9	0	0	0	113.4	S981 S984 Y994	S981-Y986 VanDerWaalsContact CB-O 3.3Å; S981-Y986 WeakPolarHBondContact CB-O 3.27Å; S981-Y986 PolarHBondContact OG-O 3.37Å; S984-Y986 VanDerWaalsContact C-N 3.32Å; S984-Y986 WeakPolarHBondContact O-CD2 3.22Å; S984-Y986 WeakPolarHBondContact O-CE2 3.31Å; S984-Y986 PolarHBondContact OG-N 2.98Å; Y986-Y994 HydrophobicContact CD1-CD2 4.4Å; Y986-Y994 HydrophobicContact CD1-CG 4.47Å; Y986-Y994 HydrophobicContact CD2-CD1 4.17Å; Y986-Y994 AromaticContact CD2-CD2 3.88Å; Y986-Y994 HydrophobicContact CD2-CD2 3.88Å; Y986-Y994 HydrophobicContact CD2-CE1 4.26Å; Y986-Y994 AromaticContact CD2-CE2 3.98Å; Y986-Y994 HydrophobicContact CD2-CE2 3.98Å; Y986-Y994 AromaticContact CD2-CG 3.95Å; Y986-Y994 HydrophobicContact CD2-CG 3.95Å; Y986-Y994 AromaticContact CE1-CD2 3.88Å; Y986-Y994 HydrophobicContact CE1-CD2 3.88Å; Y986-Y994 HydrophobicContact CE1-CE2 4.48Å; Y986-Y994 HydrophobicContact CE1-CG 4.37Å; Y986-Y994 HydrophobicContact CE2-CD1 4.32Å; Y986-Y994 AromaticContact CE2-CD2 3.3Å; Y986-Y994 HydrophobicContact CE2-CD2 3.3Å; Y986-Y994 HydrophobicContact CE2-CE1 4.22Å; Y986-Y994 AromaticContact CE2-CE2 3.17Å; Y986-Y994 HydrophobicContact CE2-CE2 3.17Å; Y986-Y994 AromaticContact CE2-CG 3.87Å; Y986-Y994 HydrophobicContact CE2-CG 3.87Å; Y986-Y994 AromaticContact CE2-CZ 3.65Å; Y986-Y994 HydrophobicContact CG-CD2 4.4Å; Y986-Y994 HydrophobicContact CG-CG 4.26Å; Y986-Y994 AromaticContact CZ-CD2 3.29Å; Y986-Y994 AromaticContact CZ-CE2 3.48Å; Y986-Y994 VanDerWaalsContact CZ-CE2 3.48Å; Y986-Y994 WeakPolarHBondContact OH-CE2 3.4Å
987	S	38.5	Very low	36.7	Very low	72 Å²	72	76.8 Å²	76.8	50%	0.503	41%	0.405	S	S	.	.			trans	-72.9	161.2	171.7	69	0	0	0	0	111.6	E989 S990 L991	S987-E989 PolarHBondContact O-N 3.16Å; S987-E989 VanDerWaalsContact O-N 3.09Å; S987-S990 PolarHBondContact N-OG 3.32Å; S987-S990 PolarHBondContact O-N 3.09Å; S987-S990 VanDerWaalsContact O-N 3.08Å; S987-S990 PolarHBondContact O-OG 2.89Å; S987-S990 VanDerWaalsContact O-OG 3.12Å; S987-S990 PolarHBondContact OG-OG 3.45Å; S987-L991 PolarHBondContact O-N 3.12Å; S987-L991 VanDerWaalsContact O-N 3.09Å
988	N	32.9	Very low	36.5	Very low	81 Å²	81	74.9 Å²	74.9	43%	0.433	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-33.8	-176.7	-93.3	-39	0	0	0	114.9	R977	R977-N988 WeakPolarHBondContact CB-OD1 3.48Å; R977-N988 VanDerWaalsContact CD-OD1 3.29Å; R977-N988 WeakPolarHBondContact CD-OD1 3.41Å; R977-N988 WeakPolarHBondContact CG-OD1 3.33Å
989	E	35.4	Very low	36.2	Very low	173 Å²	173	72.7 Å²	72.7	81%	0.808	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-41.5	178.4	-65.5	-177.7	139.8	0	0	111.8	S987 L991 K992	S987-E989 PolarHBondContact O-N 3.16Å; S987-E989 VanDerWaalsContact O-N 3.09Å; E989-L991 VanDerWaalsContact C-N 3.32Å; E989-L991 PolarHBondContact O-N 3.16Å; E989-K992 PolarHBondContact O-N 3.12Å
990	S	39.8	Very low	36.1	Very low	29 Å²	29	72.7 Å²	72.7	20%	0.203	40%	0.397	C	S	.	.	H	α-helix	trans	-75	-16.5	-176.2	56.2	0	0	0	0	114.1	S987 K992 E993 Y994	S987-S990 PolarHBondContact N-OG 3.32Å; S987-S990 PolarHBondContact O-N 3.09Å; S987-S990 VanDerWaalsContact O-N 3.08Å; S987-S990 PolarHBondContact O-OG 2.89Å; S987-S990 VanDerWaalsContact O-OG 3.12Å; S987-S990 PolarHBondContact OG-OG 3.45Å; S990-K992 PolarHBondContact O-N 3.45Å; S990-E993 PolarHBondContact O-N 3.49Å; S990-Y994 VanDerWaalsContact O-CB 3.29Å; S990-Y994 WeakPolarHBondContact O-CB 3.17Å; S990-Y994 PolarHBondContact O-N 2.99Å
991	L	34	Very low	36	Very low	14 Å²	14	76 Å²	76	7%	0.073	41%	0.411	C	S	.	.	H	α-helix	trans	-54.9	-38.4	168.4	-78.6	171.5	0	0	0	112.2	L980 S984 S987 E989 Y994 F995	L980-L991 HydrophobicContact CB-CD1 4.47Å; S984-L991 WeakPolarHBondContact OG-CD2 3.37Å; S987-L991 PolarHBondContact O-N 3.12Å; S987-L991 VanDerWaalsContact O-N 3.09Å; E989-L991 VanDerWaalsContact C-N 3.32Å; E989-L991 PolarHBondContact O-N 3.16Å; L991-Y994 PolarHBondContact O-N 2.94Å; L991-F995 HydrophobicContact CB-CD2 4.41Å; L991-F995 HydrophobicContact CB-CE2 4.25Å; L991-F995 HydrophobicContact CD2-CE2 3.97Å; L991-F995 WeakPolarHBondContact O-CD2 3.42Å; L991-F995 PolarHBondContact O-N 3.03Å
992	K	32.5	Very low	35.9	Very low	182 Å²	182	81.9 Å²	81.9	79%	0.791	43%	0.433	S	S	*	.	H	α-helix	trans	-69.6	-38.4	-175.8	-136.5	-179.5	-173.9	-176.6	0	112.2	E989 S990 S996	E989-K992 PolarHBondContact O-N 3.12Å; S990-K992 PolarHBondContact O-N 3.45Å; K992-S996 WeakPolarHBondContact O-CB 3.47Å; K992-S996 PolarHBondContact O-N 2.68Å
993	E	34	Very low	36	Very low	143 Å²	143	80.2 Å²	80.2	67%	0.668	42%	0.418	S	S	*	.	H	α-helix	trans	-69.3	-44.2	170.9	-72.9	-175.9	136.8	0	0	111	S990 F995 S996 S997	S990-E993 PolarHBondContact O-N 3.49Å; E993-F995 PolarHBondContact O-N 2.84Å; E993-S996 WeakPolarHBondContact CA-OG 3.43Å; E993-S996 CarbonylContact O-C 3.51Å; E993-S996 WeakPolarHBondContact O-CA 3.19Å; E993-S996 WeakPolarHBondContact O-CB 3.39Å; E993-S996 PolarHBondContact O-N 2.9Å; E993-S996 PolarHBondContact O-OG 2.94Å; E993-S997 PolarHBondContact O-N 3.42Å; E993-S997 PolarHBondContact O-OG 3.19Å
994	Y	34.5	Very low	36.2	Very low	30 Å²	30	80.6 Å²	80.6	12%	0.118	42%	0.42	C	S	.	.	H	α-helix	trans	-57.1	-46.8	-179.9	-176.7	-113	0	0	0	113.4	Y986 S990 L991 S996 S997 W998	Y986-Y994 HydrophobicContact CD1-CD2 4.4Å; Y986-Y994 HydrophobicContact CD1-CG 4.47Å; Y986-Y994 HydrophobicContact CD2-CD1 4.17Å; Y986-Y994 AromaticContact CD2-CD2 3.88Å; Y986-Y994 HydrophobicContact CD2-CD2 3.88Å; Y986-Y994 HydrophobicContact CD2-CE1 4.26Å; Y986-Y994 AromaticContact CD2-CE2 3.98Å; Y986-Y994 HydrophobicContact CD2-CE2 3.98Å; Y986-Y994 AromaticContact CD2-CG 3.95Å; Y986-Y994 HydrophobicContact CD2-CG 3.95Å; Y986-Y994 AromaticContact CE1-CD2 3.88Å; Y986-Y994 HydrophobicContact CE1-CD2 3.88Å; Y986-Y994 HydrophobicContact CE1-CE2 4.48Å; Y986-Y994 HydrophobicContact CE1-CG 4.37Å; Y986-Y994 HydrophobicContact CE2-CD1 4.32Å; Y986-Y994 AromaticContact CE2-CD2 3.3Å; Y986-Y994 HydrophobicContact CE2-CD2 3.3Å; Y986-Y994 HydrophobicContact CE2-CE1 4.22Å; Y986-Y994 AromaticContact CE2-CE2 3.17Å; Y986-Y994 HydrophobicContact CE2-CE2 3.17Å; Y986-Y994 AromaticContact CE2-CG 3.87Å; Y986-Y994 HydrophobicContact CE2-CG 3.87Å; Y986-Y994 AromaticContact CE2-CZ 3.65Å; Y986-Y994 HydrophobicContact CG-CD2 4.4Å; Y986-Y994 HydrophobicContact CG-CG 4.26Å; Y986-Y994 AromaticContact CZ-CD2 3.29Å; Y986-Y994 AromaticContact CZ-CE2 3.48Å; Y986-Y994 VanDerWaalsContact CZ-CE2 3.48Å; Y986-Y994 WeakPolarHBondContact OH-CE2 3.4Å; S990-Y994 VanDerWaalsContact O-CB 3.29Å; S990-Y994 WeakPolarHBondContact O-CB 3.17Å; S990-Y994 PolarHBondContact O-N 2.99Å; L991-Y994 PolarHBondContact O-N 2.94Å; Y994-S996 VanDerWaalsContact C-N 3.25Å; Y994-S996 PolarHBondContact O-N 2.89Å; Y994-S997 PolarHBondContact O-N 3.42Å; Y994-S997 PolarHBondContact O-OG 2.81Å; Y994-W998 AromaticContact CD1-NE1 3.85Å; Y994-W998 AromaticContact CE1-NE1 3.65Å
995	F	34.3	Very low	36.6	Very low	76 Å²	76	80.7 Å²	80.7	33%	0.333	42%	0.421	S	S	.	.	H	α-helix	trans	-68.4	-22.2	174.1	-72	-67.6	0	0	0	113.1	L980 L991 E993 W998	L980-F995 HydrophobicContact CD2-CZ 4.34Å; L991-F995 HydrophobicContact CB-CD2 4.41Å; L991-F995 HydrophobicContact CB-CE2 4.25Å; L991-F995 HydrophobicContact CD2-CE2 3.97Å; L991-F995 WeakPolarHBondContact O-CD2 3.42Å; L991-F995 PolarHBondContact O-N 3.03Å; E993-F995 PolarHBondContact O-N 2.84Å; F995-W998 AromaticContact CD1-CD2 3.89Å; F995-W998 HydrophobicContact CD1-CD2 3.89Å; F995-W998 AromaticContact CD1-CE2 3.4Å; F995-W998 VanDerWaalsContact CD1-CE2 3.4Å; F995-W998 HydrophobicContact CD1-CE3 4.14Å; F995-W998 AromaticContact CD1-CH2 3.68Å; F995-W998 HydrophobicContact CD1-CH2 3.68Å; F995-W998 AromaticContact CD1-CZ2 3.34Å; F995-W998 HydrophobicContact CD1-CZ2 3.34Å; F995-W998 HydrophobicContact CD1-CZ3 4.05Å; F995-W998 AromaticContact CD1-NE1 3.83Å; F995-W998 AromaticContact CE1-CE2 3.78Å; F995-W998 AromaticContact CE1-CH2 3.64Å; F995-W998 HydrophobicContact CE1-CH2 3.64Å; F995-W998 AromaticContact CE1-CZ2 3.26Å; F995-W998 HydrophobicContact CE1-CZ2 3.26Å; F995-W998 HydrophobicContact CE1-CZ3 4.42Å
996	S	34.5	Very low	36.9	Very low	98 Å²	98	80.5 Å²	80.5	69%	0.685	40%	0.402	S	S	*	.	H	α-helix	trans	-84.2	-24.1	178	77.4	0	0	0	0	113.6	K992 E993 Y994	K992-S996 WeakPolarHBondContact O-CB 3.47Å; K992-S996 PolarHBondContact O-N 2.68Å; E993-S996 WeakPolarHBondContact CA-OG 3.43Å; E993-S996 CarbonylContact O-C 3.51Å; E993-S996 WeakPolarHBondContact O-CA 3.19Å; E993-S996 WeakPolarHBondContact O-CB 3.39Å; E993-S996 PolarHBondContact O-N 2.9Å; E993-S996 PolarHBondContact O-OG 2.94Å; Y994-S996 VanDerWaalsContact C-N 3.25Å; Y994-S996 PolarHBondContact O-N 2.89Å
997	S	33.3	Very low	37.5	Very low	89 Å²	89	78.2 Å²	78.2	62%	0.622	39%	0.394	S	S	*	.	S	Bend	trans	-101.5	21.6	177	63.8	0	0	0	0	113.1	E993 Y994 D999	E993-S997 PolarHBondContact O-N 3.42Å; E993-S997 PolarHBondContact O-OG 3.19Å; Y994-S997 PolarHBondContact O-N 3.42Å; Y994-S997 PolarHBondContact O-OG 2.81Å; S997-D999 PolarHBondContact O-N 3.27Å
998	W	33.7	Very low	37.9	Very low	78 Å²	78	75 Å²	75	30%	0.295	37%	0.372	S	S	.	.			trans	-66.2	99.9	-170.3	-109.8	13.3	0	0	0	113.7	Y994 F995 H1000	Y994-W998 AromaticContact CD1-NE1 3.85Å; Y994-W998 AromaticContact CE1-NE1 3.65Å; F995-W998 AromaticContact CD1-CD2 3.89Å; F995-W998 HydrophobicContact CD1-CD2 3.89Å; F995-W998 AromaticContact CD1-CE2 3.4Å; F995-W998 VanDerWaalsContact CD1-CE2 3.4Å; F995-W998 HydrophobicContact CD1-CE3 4.14Å; F995-W998 AromaticContact CD1-CH2 3.68Å; F995-W998 HydrophobicContact CD1-CH2 3.68Å; F995-W998 AromaticContact CD1-CZ2 3.34Å; F995-W998 HydrophobicContact CD1-CZ2 3.34Å; F995-W998 HydrophobicContact CD1-CZ3 4.05Å; F995-W998 AromaticContact CD1-NE1 3.83Å; F995-W998 AromaticContact CE1-CE2 3.78Å; F995-W998 AromaticContact CE1-CH2 3.64Å; F995-W998 HydrophobicContact CE1-CH2 3.64Å; F995-W998 AromaticContact CE1-CZ2 3.26Å; F995-W998 HydrophobicContact CE1-CZ2 3.26Å; F995-W998 HydrophobicContact CE1-CZ3 4.42Å; W998-H1000 AromaticContact CE3-CE1 3.43Å; W998-H1000 VanDerWaalsContact CE3-CE1 3.43Å; W998-H1000 AromaticContact CE3-ND1 3.95Å; W998-H1000 AromaticContact CZ3-CE1 3.84Å; W998-H1000 PolarHBondContact O-N 3.04Å
999	D	38.3	Very low	38.5	Very low	79 Å²	79	74.6 Å²	74.6	42%	0.422	37%	0.368	S	S	.	.			trans	-85.6	93.7	162	-170.4	-4.7	0	0	0	109	S997 H1001 K1002	S997-D999 PolarHBondContact O-N 3.27Å; D999-H1001 PolarHBondContact O-N 3.46Å; D999-K1002 PolarHBondContact O-N 3.37Å; D999-K1002 VanDerWaalsContact OD2-CD 3.29Å; D999-K1002 WeakPolarHBondContact OD2-CD 3.45Å; D999-K1002 VanDerWaalsContact OD2-CE 3.24Å; D999-K1002 WeakPolarHBondContact OD2-CE 3.16Å; D999-K1002 IonicContact OD2-NZ 3.49Å; D999-K1002 PolarHBondContact OD2-NZ 2.86Å
1000	H	37.7	Very low	38.7	Very low	55 Å²	55	71.2 Å²	71.2	26%	0.255	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-11.1	-168	-77.7	-64	0	0	0	116.2	W998 Y1006 N1099	W998-H1000 AromaticContact CE3-CE1 3.43Å; W998-H1000 VanDerWaalsContact CE3-CE1 3.43Å; W998-H1000 AromaticContact CE3-ND1 3.95Å; W998-H1000 AromaticContact CZ3-CE1 3.84Å; W998-H1000 PolarHBondContact O-N 3.04Å; H1000-Y1006 WeakPolarHBondContact O-CD1 3.44Å; H1000-Y1006 VanDerWaalsContact O-CE1 3.26Å; H1000-Y1006 WeakPolarHBondContact O-CE1 3.48Å; H1000-N1099 PolarHBondContact NE2-OD1 3.46Å
1001	H	35.7	Very low	38.9	Very low	126 Å²	126	70.9 Å²	70.9	58%	0.583	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-8.6	-179.8	-61.9	-32.6	0	0	0	114.7	D999 Q1007	D999-H1001 PolarHBondContact O-N 3.46Å; H1001-Q1007 PolarHBondContact O-NE2 3.46Å
1002	K	39	Very low	39.2	Very low	150 Å²	150	71.9 Å²	71.9	65%	0.652	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-11.5	-174.4	-67.3	179.9	-173	142.3	0	115.2	D999	D999-K1002 PolarHBondContact O-N 3.37Å; D999-K1002 VanDerWaalsContact OD2-CD 3.29Å; D999-K1002 WeakPolarHBondContact OD2-CD 3.45Å; D999-K1002 VanDerWaalsContact OD2-CE 3.24Å; D999-K1002 WeakPolarHBondContact OD2-CE 3.16Å; D999-K1002 IonicContact OD2-NZ 3.49Å; D999-K1002 PolarHBondContact OD2-NZ 2.86Å
1003	S	42.4	Very low	39.4	Very low	16 Å²	16	65.8 Å²	65.8	11%	0.112	33%	0.327	C	S	.	.			trans	-74.7	135.5	-173.2	79.4	0	0	0	0	112.8	P1005 Y1006 Q1007	S1003-P1005 VanDerWaalsContact C-CD 3.47Å; S1003-Y1006 PolarHBondContact O-N 2.75Å; S1003-Y1006 VanDerWaalsContact O-N 3.16Å; S1003-Y1006 WeakPolarHBondContact OG-CB 3.21Å; S1003-Y1006 PolarHBondContact OG-N 2.86Å; S1003-Q1007 PolarHBondContact O-N 2.89Å
1004	I	43.5	Very low	39.3	Very low	44 Å²	44	61.1 Å²	61.1	23%	0.226	31%	0.309	C	S	.	.	H	α-helix	trans	-55.2	-41.7	178.2	-64.9	162.4	0	0	0	112.4	M875 Q1007 L1008	M875-I1004 HydrophobicContact CE-CB 4.28Å; M875-I1004 HydrophobicContact CE-CD1 3.62Å; M875-I1004 HydrophobicContact CE-CG1 3.71Å; M875-I1004 HydrophobicContact CE-CG2 3.57Å; I1004-Q1007 PolarHBondContact O-N 2.84Å; I1004-L1008 HydrophobicContact CG2-CD1 3.91Å; I1004-L1008 WeakPolarHBondContact O-CB 3.17Å; I1004-L1008 PolarHBondContact O-N 3.01Å
1005	P	42.7	Very low	39.1	Very low	19 Å²	19	64.6 Å²	64.6	12%	0.123	34%	0.335	C	S	.	.	H	α-helix	trans	-57.6	-48.3	173	-28.1	37.1	0	0	0	113.7	I983 S1003 Q1007 L1008 I1009	I983-P1005 HydrophobicContact CG2-CB 3.48Å; I983-P1005 VanDerWaalsContact CG2-CB 3.48Å; I983-P1005 HydrophobicContact CG2-CG 3.48Å; I983-P1005 VanDerWaalsContact CG2-CG 3.48Å; S1003-P1005 VanDerWaalsContact C-CD 3.47Å; P1005-Q1007 VanDerWaalsContact C-N 3.34Å; P1005-L1008 PolarHBondContact O-N 3.28Å; P1005-I1009 VanDerWaalsContact O-CG1 3.31Å; P1005-I1009 WeakPolarHBondContact O-CG1 3.3Å; P1005-I1009 PolarHBondContact O-N 2.85Å
1006	Y	44.2	Very low	38.8	Very low	53 Å²	53	66.1 Å²	66.1	21%	0.208	34%	0.342	C	S	.	.	H	α-helix	trans	-65.7	-40.7	-178.6	179.3	-96.1	0	0	0	110.8	H1000 S1003 R1010	H1000-Y1006 WeakPolarHBondContact O-CD1 3.44Å; H1000-Y1006 VanDerWaalsContact O-CE1 3.26Å; H1000-Y1006 WeakPolarHBondContact O-CE1 3.48Å; S1003-Y1006 PolarHBondContact O-N 2.75Å; S1003-Y1006 VanDerWaalsContact O-N 3.16Å; S1003-Y1006 WeakPolarHBondContact OG-CB 3.21Å; S1003-Y1006 PolarHBondContact OG-N 2.86Å; Y1006-R1010 WeakPolarHBondContact O-CB 3.38Å; Y1006-R1010 PolarHBondContact O-N 3.1Å; Y1006-R1010 PolarHBondContact OH-NH1 3Å
1007	Q	46.6	Very low	38.5	Very low	35 Å²	35	63.4 Å²	63.4	16%	0.164	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-51.3	173.2	-67.4	-169.5	8.1	0	0	110.7	H1001 S1003 I1004 P1005 I1009 R1010 C1011	H1001-Q1007 PolarHBondContact O-NE2 3.46Å; S1003-Q1007 PolarHBondContact O-N 2.89Å; I1004-Q1007 PolarHBondContact O-N 2.84Å; P1005-Q1007 VanDerWaalsContact C-N 3.34Å; Q1007-I1009 PolarHBondContact O-N 3.24Å; Q1007-R1010 CarbonylContact O-C 3.56Å; Q1007-R1010 PolarHBondContact O-N 2.99Å; Q1007-R1010 VanDerWaalsContact O-N 3.14Å; Q1007-C1011 WeakPolarHBondContact O-CB 3.18Å; Q1007-C1011 PolarHBondContact O-N 2.98Å; Q1007-C1011 PolarHBondContact O-SG 3.44Å
1008	L	46.5	Very low	38.1	Very low	5 Å²	5	67.5 Å²	67.5	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-53.2	-51.1	176.7	-81.4	162.8	0	0	0	112.6	F947 I1004 P1005 R1010 C1011 L1012	F947-L1008 HydrophobicContact CD2-CD2 4.06Å; F947-L1008 HydrophobicContact CE2-CD2 3.77Å; I1004-L1008 HydrophobicContact CG2-CD1 3.91Å; I1004-L1008 WeakPolarHBondContact O-CB 3.17Å; I1004-L1008 PolarHBondContact O-N 3.01Å; P1005-L1008 PolarHBondContact O-N 3.28Å; L1008-R1010 VanDerWaalsContact C-N 3.32Å; L1008-R1010 PolarHBondContact O-N 2.88Å; L1008-C1011 WeakPolarHBondContact O-CB 3.29Å; L1008-C1011 PolarHBondContact O-N 2.73Å; L1008-C1011 VanDerWaalsContact O-N 3.1Å; L1008-L1012 HydrophobicContact CB-CD1 4.29Å; L1008-L1012 HydrophobicContact CD2-CD1 3.98Å; L1008-L1012 WeakPolarHBondContact O-CB 3.4Å; L1008-L1012 VanDerWaalsContact O-CD1 3.31Å; L1008-L1012 WeakPolarHBondContact O-CD1 3.31Å; L1008-L1012 WeakPolarHBondContact O-CG 3.34Å; L1008-L1012 PolarHBondContact O-N 3.12Å; L1008-L1012 VanDerWaalsContact O-N 3.07Å
1009	I	45	Very low	37.6	Very low	72 Å²	72	75.4 Å²	75.4	37%	0.369	36%	0.362	S	S	.	.	H	α-helix	trans	-58	-45	178.3	-67.7	164	0	0	0	111	I954 P1005 Q1007 C1011 L1012 L1013	I954-I1009 HydrophobicContact CD1-CG1 3.93Å; I954-I1009 HydrophobicContact CG1-CG1 4.33Å; P1005-I1009 VanDerWaalsContact O-CG1 3.31Å; P1005-I1009 WeakPolarHBondContact O-CG1 3.3Å; P1005-I1009 PolarHBondContact O-N 2.85Å; Q1007-I1009 PolarHBondContact O-N 3.24Å; I1009-C1011 VanDerWaalsContact C-N 3.3Å; I1009-C1011 PolarHBondContact O-N 3.03Å; I1009-L1012 PolarHBondContact O-N 3.15Å; I1009-L1013 HydrophobicContact CG2-CD1 3.96Å; I1009-L1013 PolarHBondContact O-N 3.27Å
1010	R	41.6	Very low	37	Very low	103 Å²	103	75.3 Å²	75.3	39%	0.389	37%	0.368	S	S	.	.	H	α-helix	trans	-73.1	-17.8	179	-155	176.3	-163.4	-173.9	8.9	113.9	Y1006 Q1007 L1008 L1180	Y1006-R1010 WeakPolarHBondContact O-CB 3.38Å; Y1006-R1010 PolarHBondContact O-N 3.1Å; Y1006-R1010 PolarHBondContact OH-NH1 3Å; Q1007-R1010 CarbonylContact O-C 3.56Å; Q1007-R1010 PolarHBondContact O-N 2.99Å; Q1007-R1010 VanDerWaalsContact O-N 3.14Å; L1008-R1010 VanDerWaalsContact C-N 3.32Å; L1008-R1010 PolarHBondContact O-N 2.88Å; R1010-L1180 PolarHBondContact NH2-O 3.13Å; R1010-L1180 VanDerWaalsContact NH2-O 3.15Å
1011	C	43.2	Very low	36.3	Very low	22 Å²	22	78.6 Å²	78.6	15%	0.149	40%	0.396	C	S	.	.	H	α-helix	trans	-85	-28	174.7	-67.1	0	0	0	0	113.1	H933 L936 Q1007 L1008 I1009	H933-C1011 VanDerWaalsContact CE1-CB 3.5Å; H933-C1011 WeakPolarHBondContact CE1-CB 3.23Å; H933-C1011 PolarHBondContact CE1-SG 3.37Å; L936-C1011 HydrophobicContact CD1-CB 4.45Å; Q1007-C1011 WeakPolarHBondContact O-CB 3.18Å; Q1007-C1011 PolarHBondContact O-N 2.98Å; Q1007-C1011 PolarHBondContact O-SG 3.44Å; L1008-C1011 WeakPolarHBondContact O-CB 3.29Å; L1008-C1011 PolarHBondContact O-N 2.73Å; L1008-C1011 VanDerWaalsContact O-N 3.1Å; I1009-C1011 VanDerWaalsContact C-N 3.3Å; I1009-C1011 PolarHBondContact O-N 3.03Å
1012	L	41.1	Very low	35.7	Very low	35 Å²	35	81.9 Å²	81.9	18%	0.183	41%	0.408	C	S	.	.	H	α-helix	trans	-108	-12.2	-163.7	-67.2	165.8	0	0	0	114.1	F947 I951 I954 L1008 I1009	F947-L1012 HydrophobicContact CZ-CD2 4.29Å; I951-L1012 HydrophobicContact CD1-CD1 4.33Å; I951-L1012 HydrophobicContact CD1-CD2 3.86Å; I951-L1012 HydrophobicContact CG1-CD1 3.46Å; I951-L1012 VanDerWaalsContact CG1-CD1 3.46Å; I951-L1012 HydrophobicContact CG1-CD2 3.77Å; I951-L1012 HydrophobicContact CG1-CG 4.17Å; I954-L1012 HydrophobicContact CD1-CD1 4.08Å; L1008-L1012 HydrophobicContact CB-CD1 4.29Å; L1008-L1012 HydrophobicContact CD2-CD1 3.98Å; L1008-L1012 WeakPolarHBondContact O-CB 3.4Å; L1008-L1012 VanDerWaalsContact O-CD1 3.31Å; L1008-L1012 WeakPolarHBondContact O-CD1 3.31Å; L1008-L1012 WeakPolarHBondContact O-CG 3.34Å; L1008-L1012 PolarHBondContact O-N 3.12Å; L1008-L1012 VanDerWaalsContact O-N 3.07Å; I1009-L1012 PolarHBondContact O-N 3.15Å
1013	L	36.5	Very low	35	Very low	54 Å²	54	79.9 Å²	79.9	28%	0.283	41%	0.413	S	S	.	.	S	Bend	trans	-78.1	120.3	171.6	-78.9	162.5	0	0	0	110.7	I1009 F1016 A1110	I1009-L1013 HydrophobicContact CG2-CD1 3.96Å; I1009-L1013 PolarHBondContact O-N 3.27Å; L1013-F1016 HydrophobicContact CD2-CE2 4.34Å; L1013-A1110 HydrophobicContact CD1-CB 3.71Å; L1013-A1110 HydrophobicContact CD2-CB 4.1Å
1014	P	30.4	Very low	34.1	Very low	44 Å²	44	86.4 Å²	86.4	29%	0.286	45%	0.445	S	S	.	.			trans	-64.7	155.9	173.3	26.4	-32.5	0	0	0	110.8	L643 F1016	L643-P1014 HydrophobicContact CD1-CB 4.05Å; L643-P1014 HydrophobicContact CD1-CG 4.28Å; P1014-F1016 VanDerWaalsContact C-N 3.25Å; P1014-F1016 PolarHBondContact O-N 3.41Å
1015	P	30.8	Very low	33.2	Very low	104 Å²	104	90.3 Å²	90.3	68%	0.675	47%	0.474	S	S	*	.			trans	-68.1	89.1	168.1	29.8	-33.2	0	0	0	108.6	G1017	P1015-G1017 PolarHBondContact O-N 3.37Å
1016	F	29.2	Very low	32.3	Very low	108 Å²	108	94.1 Å²	94.1	47%	0.474	50%	0.5	S	S	.	.			trans	-50.4	106.2	171.4	-80.2	-72.8	0	0	0	108.7	L1013 P1014 R1182	L1013-F1016 HydrophobicContact CD2-CE2 4.34Å; P1014-F1016 VanDerWaalsContact C-N 3.25Å; P1014-F1016 PolarHBondContact O-N 3.41Å; F1016-R1182 PolarHBondContact O-NH1 3Å
1017	G	26.7	Very low	31.4	Very low	41 Å²	41	99.5 Å²	99.5	42%	0.423	53%	0.533	S	S	.	.			trans	-137.4	94	179.3	0	0	0	0	0	106.1	P1015 R1019	P1015-G1017 PolarHBondContact O-N 3.37Å; G1017-R1019 PolarHBondContact O-N 3.19Å
1018	Y	25.1	Very low	30.4	Very low	174 Å²	174	103.8 Å²	103.8	68%	0.682	55%	0.551	S	S	*	*			trans	-49.3	97.7	173.5	-91.5	-103.1	0	0	0	109.7	S1020	Y1018-S1020 PolarHBondContact O-N 2.9Å; Y1018-S1020 VanDerWaalsContact O-N 3.1Å
1019	R	24.1	Very low	29.4	Very low	244 Å²	244	109.7 Å²	109.7	92%	0.921	59%	0.589	S	S	*	*			trans	-81.1	80.3	163	-76.4	-167.5	179.5	-164	2.6	106.9	G1017 C1021	G1017-R1019 PolarHBondContact O-N 3.19Å; R1019-C1021 PolarHBondContact O-N 3.37Å
1020	S	25.3	Very low	28.4	Very low	78 Å²	78	113 Å²	113	55%	0.545	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-55.5	123.8	168.8	49.6	0	0	0	0	109.5	Y1018 K1022	Y1018-S1020 PolarHBondContact O-N 2.9Å; Y1018-S1020 VanDerWaalsContact O-N 3.1Å; S1020-K1022 PolarHBondContact O-N 3.3Å
1021	C	23.6	Very low	27.6	Very low	124 Å²	124	116.1 Å²	116.1	84%	0.838	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-50.7	140.5	163	-69.9	0	0	0	0	109.2	R1019 S1023	R1019-C1021 PolarHBondContact O-N 3.37Å; C1021-S1023 PolarHBondContact O-N 3.24Å
1022	K	22.8	Very low	26.7	Very low	194 Å²	194	122.4 Å²	122.4	84%	0.843	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-59.5	132.8	173.8	-73.9	-177.3	176.1	-178.3	0	109	S1020 I1024	S1020-K1022 PolarHBondContact O-N 3.3Å; K1022-I1024 PolarHBondContact O-N 3.04Å
1023	S	24.2	Very low	25.9	Very low	109 Å²	109	127.4 Å²	127.4	76%	0.762	68%	0.675	S	S	*	*			trans	-24.5	114.3	172.8	51.8	0	0	0	0	115.8	C1021	C1021-S1023 PolarHBondContact O-N 3.24Å
1024	I	24	Very low	25.3	Very low	153 Å²	153	131.5 Å²	131.5	79%	0.785	70%	0.696	S	S	*	*			trans	-103	109.9	146.6	-59.1	174.6	0	0	0	105.4	K1022 S1026	K1022-I1024 PolarHBondContact O-N 3.04Å; I1024-S1026 PolarHBondContact O-N 2.63Å; I1024-S1026 VanDerWaalsContact O-N 3.16Å
1025	P	23.5	Very low	25	Very low	126 Å²	126	137 Å²	137	82%	0.818	72%	0.717	S	S	*	*			trans	-79.5	98.7	-179.9	30.4	-31.8	0	0	0	110.1
1026	S	24.1	Very low	24.7	Very low	98 Å²	98	138.3 Å²	138.3	69%	0.685	71%	0.714	S	S	*	*			trans	-102.5	98.1	173.6	62.2	0	0	0	0	111.5	I1024	I1024-S1026 PolarHBondContact O-N 2.63Å; I1024-S1026 VanDerWaalsContact O-N 3.16Å
1027	N	25.9	Very low	24.4	Very low	166 Å²	166	142 Å²	142	89%	0.888	73%	0.725	S	S	*	*			trans	-116.3	117	154.7	-99.5	-6.9	0	0	0	108.3
1028	K	25.2	Very low	24.3	Very low	125 Å²	125	149 Å²	149	54%	0.543	74%	0.739	S	S	.	*			trans	-73.5	167.7	164.5	-67.5	180	171.1	177	0	108.8	H631	H631-K1028 PolarHBondContact CE1-NZ 3.41Å; H631-K1028 VanDerWaalsContact CE1-NZ 3.27Å; H631-K1028 PolarHBondContact NE2-NZ 3.03Å
1029	P	25.3	Very low	24.4	Very low	129 Å²	129	147.5 Å²	147.5	84%	0.838	74%	0.742	S	S	*	*				-124.5	159.8	85.5	9.1	10.8	0	0	0	113.4
1030	H	23.3	Very low	24.6	Very low	141 Å²	141	141.7 Å²	141.7	65%	0.653	73%	0.729	S	S	*	*			trans	-65.3	139.7	172	-70	-77.5	0	0	0	111.8
1031	Q	25.1	Very low	24.5	Very low	169 Å²	169	141.6 Å²	141.6	79%	0.79	73%	0.726	S	S	*	*				-172.8	140.3	118.3	-101.9	167.3	22.6	0	0	113.2
1032	Q	25.4	Very low	24.6	Very low	155 Å²	155	140.4 Å²	140.4	72%	0.724	72%	0.719	S	S	*	*			trans	73.7	118	151.6	-66.4	175.8	10.3	0	0	121.7
1033	I	24.2	Very low	24.6	Very low	140 Å²	140	139.5 Å²	139.5	72%	0.718	72%	0.715	S	S	*	*			trans	69.5	94.9	137	-56.5	165.7	0	0	0	115.2
1034	I	23.1	Very low	24.6	Very low	140 Å²	140	141.9 Å²	141.9	72%	0.718	71%	0.714	S	S	*	*				58.9	115.5	72.5	-57.8	-178.6	0	0	0	113.4
1035	Q	24	Very low	24.6	Very low	159 Å²	159	139.7 Å²	139.7	74%	0.743	70%	0.704	S	S	*	*			trans	79.3	119.8	159.5	-79.2	-177.8	27.4	0	0	121.5
1036	Q	24	Very low	24.7	Very low	131 Å²	131	140.6 Å²	140.6	61%	0.612	70%	0.697	S	S	*	*			trans	96.2	105.1	135	-70.7	-173.6	53.8	0	0	122.2
1037	R	23.3	Very low	24.8	Very low	187 Å²	187	142.8 Å²	142.8	71%	0.706	70%	0.696	S	S	*	*				82.3	123.5	116.9	-73	178.2	174.6	-178.3	-4.2	121.7
1038	R	24.1	Very low	24.7	Very low	188 Å²	188	141.5 Å²	141.5	71%	0.709	69%	0.688	S	S	*	*			trans	63.9	123.1	132.3	-66.5	178.8	175	-175.3	-1.4	119.5	L1040	R1038-L1040 HydrophobicContact CG-CD1 4.43Å
1039	L	28.9	Very low	24.6	Very low	142 Å²	142	141.9 Å²	141.9	74%	0.743	70%	0.697	S	S	*	*			trans	-132.1	84.9	141	-86.8	173.4	0	0	0	110.3	K70	K70-L1039 PolarHBondContact NZ-O 3.05Å
1040	L	26.8	Very low	24.7	Very low	122 Å²	122	141.7 Å²	141.7	64%	0.639	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-58.8	159.2	150.5	-79.6	123	0	0	0	109.7	R1038	R1038-L1040 HydrophobicContact CG-CD1 4.43Å
1041	P	23.6	Very low	25	Very low	75 Å²	75	140.4 Å²	140.4	49%	0.487	70%	0.697	S	S	.	*	P	Polyproline II helix	trans	-64.9	149.1	156.9	31.3	-33.1	0	0	0	110.2	I245	I245-P1041 HydrophobicContact CD1-CB 4.25Å
1042	S	25.1	Very low	25	Very low	100 Å²	100	136.8 Å²	136.8	70%	0.699	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-75.1	140.6	-176.2	56.3	0	0	0	0	113.4
1043	K	23.7	Very low	25.2	Very low	175 Å²	175	137.3 Å²	137.3	76%	0.761	69%	0.693	S	S	*	*				173.1	139.7	102.7	-97.7	178.5	-178.3	179.3	0	113.8
1044	Q	23.6	Very low	25.3	Very low	159 Å²	159	137.9 Å²	137.9	74%	0.743	69%	0.692	S	S	*	*			trans	66.2	138.6	152.4	-64.2	176.9	-26.4	0	0	116.6
1045	N	24	Very low	25.4	Very low	106 Å²	106	139.2 Å²	139.2	57%	0.567	70%	0.695	S	S	*	*			cis	-162.6	151.9	-0.3	-119.7	-2	0	0	0	110.4
1046	H	27.2	Very low	25.3	Very low	146 Å²	146	138.2 Å²	138.2	68%	0.676	70%	0.7	S	S	*	*			trans	63.8	146.5	154.7	-56	-35.7	0	0	0	118.1
1047	H	25.9	Very low	25.3	Very low	144 Å²	144	137.5 Å²	137.5	67%	0.667	71%	0.709	S	S	*	*			cis	-169.8	150.4	-22.6	-128.1	-54.6	0	0	0	107.1
1048	L	23.9	Very low	25.2	Very low	138 Å²	138	139.4 Å²	139.4	72%	0.723	72%	0.716	S	S	*	*			trans	68.1	152.9	158.5	-49.6	154.4	0	0	0	116.6
1049	D	22.7	Very low	25.2	Very low	134 Å²	134	140.4 Å²	140.4	72%	0.717	73%	0.726	S	S	*	*			cis	-156	157.4	-37.9	-108.9	-9.7	0	0	0	110.1
1050	V	27.2	Very low	24.8	Very low	125 Å²	125	138.9 Å²	138.9	76%	0.758	72%	0.722	S	S	*	*			trans	-39.9	-179.3	163.6	-116.1	0	0	0	0	116
1051	P	29.7	Very low	24.6	Very low	114 Å²	114	141.4 Å²	141.4	74%	0.74	73%	0.733	S	S	*	*			cis	-141.5	175.6	-5.5	24.7	2.4	0	0	0	120
1052	S	25.5	Very low	24.4	Very low	93 Å²	93	149 Å²	149	65%	0.65	75%	0.752	S	S	*	*			trans	-30	159	162.6	59.6	0	0	0	0	123.9
1053	H	28.7	Very low	24.4	Very low	166 Å²	166	149 Å²	149	77%	0.769	75%	0.752	S	S	*	*			trans	168.9	159.2	134	-92.3	-54.6	0	0	0	110
1054	H	26.5	Very low	24.4	Very low	152 Å²	152	146.2 Å²	146.2	70%	0.704	76%	0.755	S	S	*	*			cis	-169.5	168	-26.1	-140.1	4.6	0	0	0	109.5
1055	Q	24.9	Very low	24.4	Very low	167 Å²	167	142.8 Å²	142.8	78%	0.78	75%	0.754	S	S	*	*			trans	66	134.9	164.8	-60.1	169.7	2.1	0	0	117.7
1056	V	22.8	Very low	24.4	Very low	139 Å²	139	146.7 Å²	146.7	84%	0.842	77%	0.766	S	S	*	*			cis	77.2	106.7	24.5	-171.9	0	0	0	0	116.2
1057	S	23.5	Very low	24.2	Very low	115 Å²	115	144.7 Å²	144.7	80%	0.804	77%	0.768	S	S	*	*			trans	-168.7	150.5	138.3	42.9	0	0	0	0	113.3
1058	R	21.6	Very low	24.2	Very low	228 Å²	228	147.3 Å²	147.3	86%	0.86	78%	0.777	S	S	*	*			trans	-88.2	157.1	173.2	-65.9	169.1	169.3	144.3	-6.1	110.1
1059	F	23	Very low	24.2	Very low	208 Å²	208	145.6 Å²	145.6	91%	0.912	78%	0.777	S	S	*	*			trans	-138.5	150.8	150.1	-108.3	-82	0	0	0	112.8
1060	T	21.4	Very low	24.7	Very low	110 Å²	110	144.8 Å²	144.8	68%	0.675	78%	0.779	S	S	*	*			trans	-131.5	153.1	-164.6	40.1	0	0	0	0	112.9
1061	M	21.4	Very low	24.7	Very low	175 Å²	175	146.6 Å²	146.6	86%	0.862	78%	0.783	S	S	*	*			trans	59.4	125.3	152.8	-73.4	-170.9	164.5	0	0	121.2
1062	R	21.2	Very low	24.3	Very low	234 Å²	234	148 Å²	148	88%	0.883	78%	0.784	S	S	*	*				169.2	111.9	112.6	-90.7	171.1	-177.9	-173	1	108.7
1063	S	23.5	Very low	24.1	Very low	100 Å²	100	150.1 Å²	150.1	70%	0.699	80%	0.797	S	S	*	*				85	113.1	64.5	74.2	0	0	0	0	115.2
1064	S	23.7	Very low	23.6	Very low	118 Å²	118	147 Å²	147	83%	0.825	80%	0.795	S	S	*	*			trans	158.7	114.9	135.3	57.6	0	0	0	0	109.3
1065	A	24.1	Very low	23.4	Very low	86 Å²	86	148.9 Å²	148.9	71%	0.711	80%	0.801	S	S	*	*				100	138.4	88.8	0	0	0	0	0	110.9
1066	K	23.6	Very low	23.3	Very low	189 Å²	189	150.2 Å²	150.2	82%	0.822	81%	0.807	S	S	*	*			cis	-162.6	157.6	7.6	-118.1	163.4	-169.9	175.1	0	111.9
1067	S	23.9	Very low	23.2	Very low	104 Å²	104	149.9 Å²	149.9	73%	0.727	81%	0.805	S	S	*	*			trans	65.6	155.3	161.1	32.8	0	0	0	0	117.3
1068	K	25	Very low	23	Very low	198 Å²	198	152.7 Å²	152.7	86%	0.861	81%	0.805	S	S	*	*			cis	-164.9	154.6	-11.3	-111.2	170.8	-179	-178.3	0	106.3
1069	S	24.9	Very low	23	Very low	103 Å²	103	147.6 Å²	147.6	72%	0.72	80%	0.799	S	S	*	*			cis	-163.1	140.9	-21.5	37.3	0	0	0	0	108.5
1070	P	32.5	Very low	23	Very low	116 Å²	116	147 Å²	147	75%	0.753	80%	0.799	S	S	*	*			trans	-117.2	177.5	-171	42.8	-33.7	0	0	0	114.9
1071	I	26.7	Very low	23.1	Very low	164 Å²	164	145.7 Å²	145.7	84%	0.841	78%	0.784	S	S	*	*			trans	-139.5	99.4	160	-59.2	-178.3	0	0	0	106.7
1072	N	22.3	Very low	23.2	Very low	143 Å²	143	145.6 Å²	145.6	77%	0.765	79%	0.787	S	S	*	*				64	105.6	91.3	-88.9	-2.2	0	0	0	116.1
1073	C	20.9	Very low	23.3	Very low	137 Å²	137	142 Å²	142	93%	0.926	78%	0.775	S	S	*	*				-167	165.4	108.3	-111.1	0	0	0	0	112
1074	S	19.4	Very low	23.3	Very low	102 Å²	102	140.9 Å²	140.9	71%	0.713	76%	0.758	S	S	*	*			trans	-123.7	146.7	-160.1	52.2	0	0	0	0	114.3
1075	K	20.9	Very low	23.3	Very low	191 Å²	191	139.4 Å²	139.4	83%	0.83	74%	0.741	S	S	*	*			trans	167.3	164.7	131.1	-91.5	164.5	-177	-178.7	0	112.1
1076	Q	22.4	Very low	23.4	Very low	194 Å²	194	139.2 Å²	139.2	91%	0.907	73%	0.727	S	S	*	*			trans	-54.3	126.5	-179.5	-57.5	154.5	-67.9	0	0	112.3
1077	V	21.1	Very low	23.4	Very low	133 Å²	133	133.4 Å²	133.4	81%	0.806	71%	0.71	S	S	*	*			trans	-143.8	158.7	166.6	-169.6	0	0	0	0	109.7
1078	E	19.8	Very low	23.6	Very low	173 Å²	173	133.4 Å²	133.4	81%	0.808	71%	0.706	S	S	*	*			trans	-80.1	-175.6	-165.4	-61.3	160.3	129.1	0	0	114.7	E1080	E1078-E1080 PolarHBondContact O-N 2.99Å
1079	T	21.6	Very low	23.5	Very low	121 Å²	121	128.8 Å²	128.8	74%	0.742	70%	0.698	S	S	*	*			trans	-50.7	115.3	176.2	53.8	0	0	0	0	113.9
1080	E	22.4	Very low	23.5	Very low	195 Å²	195	128.1 Å²	128.1	91%	0.911	69%	0.694	S	S	*	*			trans	-88.5	119.6	162.5	-70.9	-171.1	142.1	0	0	109.9	E1078	E1078-E1080 PolarHBondContact O-N 2.99Å
1081	K	23.8	Very low	23.2	Very low	83 Å²	83	127.9 Å²	127.9	36%	0.361	69%	0.69	S	S	.	*			trans	-104	131.3	171.7	-59.7	171.5	-177.5	-167.3	0	106.5	L634 Y1083	L634-K1081 HydrophobicContact CD2-CD 3.8Å; L634-K1081 HydrophobicContact CD2-CG 4.17Å; K1081-Y1083 HydrophobicContact CB-CD2 4.08Å; K1081-Y1083 HydrophobicContact CB-CE2 3.69Å; K1081-Y1083 HydrophobicContact CD-CE2 4.08Å; K1081-Y1083 HydrophobicContact CG-CE2 4.46Å; K1081-Y1083 WeakPolarHBondContact O-CD2 3.37Å; K1081-Y1083 PolarHBondContact O-N 3.02Å
1082	D	22.9	Very low	23.1	Very low	173 Å²	173	125.1 Å²	125.1	93%	0.925	69%	0.685	S	S	*	*			trans	-61.9	101.9	179.4	-66.8	-49.2	0	0	0	111.4
1083	Y	23.8	Very low	23.2	Very low	159 Å²	159	126.8 Å²	126.8	62%	0.624	69%	0.688	S	S	*	*			trans	-112.1	139.8	175.8	-73.1	-66.4	0	0	0	110.7	K1081 N1085	K1081-Y1083 HydrophobicContact CB-CD2 4.08Å; K1081-Y1083 HydrophobicContact CB-CE2 3.69Å; K1081-Y1083 HydrophobicContact CD-CE2 4.08Å; K1081-Y1083 HydrophobicContact CG-CE2 4.46Å; K1081-Y1083 WeakPolarHBondContact O-CD2 3.37Å; K1081-Y1083 PolarHBondContact O-N 3.02Å; Y1083-N1085 PolarHBondContact O-N 3.04Å
1084	F	24.5	Very low	23.5	Very low	77 Å²	77	126 Å²	126	34%	0.338	68%	0.681	S	S	.	*			trans	-67.8	121.3	178.5	-100.1	-90.8	0	0	0	112.5	Q958 T961	Q958-F1084 HydrophobicContact CB-CD2 4.16Å; Q958-F1084 HydrophobicContact CB-CE2 3.38Å; Q958-F1084 HydrophobicContact CB-CZ 3.58Å; Q958-F1084 HydrophobicContact CG-CD2 3.58Å; Q958-F1084 HydrophobicContact CG-CE2 3.31Å; Q958-F1084 HydrophobicContact CG-CG 4.44Å; Q958-F1084 HydrophobicContact CG-CZ 3.98Å; Q958-F1084 WeakPolarHBondContact O-CZ 3.29Å; T961-F1084 WeakPolarHBondContact OG1-CD1 3.41Å; T961-F1084 WeakPolarHBondContact OG1-CE1 3.18Å
1085	N	22.8	Very low	23.9	Very low	87 Å²	87	130.6 Å²	130.6	47%	0.465	69%	0.689	S	S	.	*			trans	-88	131.4	163.8	-86.8	-49.7	0	0	0	109.8	Y965 Y1083 N1116	Y965-N1085 PolarHBondContact OH-O 2.7Å; Y1083-N1085 PolarHBondContact O-N 3.04Å; N1085-N1116 PolarHBondContact OD1-ND2 2.82Å
1086	L	25.7	Very low	24.3	Very low	81 Å²	81	127.7 Å²	127.7	42%	0.424	68%	0.682	S	S	.	*			trans	-120.6	81.4	174.4	-128.4	163.7	0	0	0	108	V1088	L1086-V1088 PolarHBondContact O-N 3.36Å
1087	S	24.1	Very low	24.9	Very low	67 Å²	67	120.9 Å²	120.9	47%	0.469	66%	0.655	S	S	.	*			trans	-79.1	106	178.6	52.1	0	0	0	0	110.7	S1089	S1087-S1089 PolarHBondContact O-N 3.19Å
1088	V	27.9	Very low	25.4	Very low	105 Å²	105	121.1 Å²	121.1	64%	0.636	65%	0.651	S	S	*	*			trans	-77.7	71.8	174	-172	0	0	0	0	109.5	L1086 V1091	L1086-V1088 PolarHBondContact O-N 3.36Å; V1088-V1091 HydrophobicContact CG1-CG2 3.88Å
1089	S	23.4	Very low	26	Very low	100 Å²	100	116 Å²	116	70%	0.699	63%	0.629	S	S	*	*			trans	-103.5	12	-172.6	57.9	0	0	0	0	114.7	S1087	S1087-S1089 PolarHBondContact O-N 3.19Å
1090	S	24.3	Very low	26.6	Very low	90 Å²	90	112.3 Å²	112.3	63%	0.629	61%	0.608	S	S	*	*			trans	-136.5	27.5	-173.7	73.8	0	0	0	0	115.6
1091	V	27.8	Very low	27.1	Very low	110 Å²	110	106 Å²	106	67%	0.667	58%	0.583	S	S	*	*			trans	-104.1	77.8	171.8	-171.9	0	0	0	0	109.3	V1088	V1088-V1091 HydrophobicContact CG1-CG2 3.88Å
1092	S	24.2	Very low	27.8	Very low	106 Å²	106	104.9 Å²	104.9	74%	0.741	58%	0.58	S	S	*	*			trans	-80.3	144	165.7	51.8	0	0	0	0	110.5
1093	E	24.3	Very low	28.5	Very low	178 Å²	178	101.1 Å²	101.1	83%	0.832	56%	0.56	S	S	*	*	S	Bend	trans	88	145.1	177.7	-57.4	-165.1	160.3	0	0	118.1
1094	P	26.9	Very low	29.2	Very low	120 Å²	120	97.4 Å²	97.4	78%	0.779	55%	0.55	S	S	*	*	S	Bend	trans	-103.1	104.2	-153.5	36	-27.9	0	0	0	113
1095	K	27.5	Very low	29.8	Very low	199 Å²	199	96.3 Å²	96.3	87%	0.865	55%	0.55	S	S	*	*			trans	-172.4	78.3	159.5	-102.2	150.2	-173.5	178.7	0	110	S1097	K1095-S1097 PolarHBondContact O-N 2.85Å; K1095-S1097 VanDerWaalsContact O-N 3.15Å
1096	L	29.5	Very low	30.7	Very low	131 Å²	131	94.9 Å²	94.9	69%	0.686	54%	0.542	S	S	*	.			trans	-66.9	113.6	162.7	-97.9	93.6	0	0	0	108.1
1097	S	34.8	Very low	31.3	Very low	51 Å²	51	94 Å²	94	36%	0.357	54%	0.538	S	S	.	.			trans	-87	160.6	178.1	72.2	0	0	0	0	110.9	K1095 N1099 S1100 V1101	K1095-S1097 PolarHBondContact O-N 2.85Å; K1095-S1097 VanDerWaalsContact O-N 3.15Å; S1097-N1099 PolarHBondContact O-N 2.87Å; S1097-N1099 PolarHBondContact OG-N 2.74Å; S1097-S1100 PolarHBondContact N-OG 3.43Å; S1097-S1100 WeakPolarHBondContact O-CA 3.32Å; S1097-S1100 WeakPolarHBondContact O-CB 3.47Å; S1097-S1100 PolarHBondContact O-N 3.12Å; S1097-S1100 PolarHBondContact O-OG 3.31Å; S1097-S1100 PolarHBondContact OG-N 3.22Å; S1097-S1100 PolarHBondContact OG-OG 3.05Å; S1097-V1101 PolarHBondContact O-N 3.4Å
1098	I	32.3	Very low	32	Very low	138 Å²	138	93.7 Å²	93.7	71%	0.708	53%	0.53	S	S	*	.	H	α-helix	trans	-53.7	-35.4	170.2	-75.7	167.9	0	0	0	111.3	S1100 V1101 L1102	I1098-S1100 VanDerWaalsContact C-N 3.25Å; I1098-S1100 PolarHBondContact O-N 2.99Å; I1098-V1101 PolarHBondContact O-N 3.43Å; I1098-L1102 HydrophobicContact CG2-CD1 3.93Å; I1098-L1102 PolarHBondContact O-N 3.17Å
1099	N	31.5	Very low	32.5	Very low	66 Å²	66	92.6 Å²	92.6	35%	0.353	52%	0.518	S	S	.	.	H	α-helix	trans	-63.7	-28.4	175.6	-63.3	-23.1	0	0	0	113	H1000 S1097 L1103	H1000-N1099 PolarHBondContact NE2-OD1 3.46Å; S1097-N1099 PolarHBondContact O-N 2.87Å; S1097-N1099 PolarHBondContact OG-N 2.74Å; N1099-L1103 WeakPolarHBondContact O-CB 3.34Å; N1099-L1103 PolarHBondContact O-N 3.46Å; N1099-L1103 VanDerWaalsContact O-N 3.08Å
1100	S	34.2	Very low	33	Very low	43 Å²	43	88.5 Å²	88.5	30%	0.301	49%	0.491	S	S	.	.	H	α-helix	trans	-71.8	-34.1	177.3	-47.8	0	0	0	0	112	S1097 I1098 L1104	S1097-S1100 PolarHBondContact N-OG 3.43Å; S1097-S1100 WeakPolarHBondContact O-CA 3.32Å; S1097-S1100 WeakPolarHBondContact O-CB 3.47Å; S1097-S1100 PolarHBondContact O-N 3.12Å; S1097-S1100 PolarHBondContact O-OG 3.31Å; S1097-S1100 PolarHBondContact OG-N 3.22Å; S1097-S1100 PolarHBondContact OG-OG 3.05Å; I1098-S1100 VanDerWaalsContact C-N 3.25Å; I1098-S1100 PolarHBondContact O-N 2.99Å; S1100-L1104 PolarHBondContact O-N 3.45Å
1101	V	33.8	Very low	33.3	Very low	63 Å²	63	86.6 Å²	86.6	38%	0.382	49%	0.485	S	S	.	.	H	α-helix	trans	-76.9	-40.8	176.8	-179.5	0	0	0	0	110.8	S1097 I1098 L1104 T1105	S1097-V1101 PolarHBondContact O-N 3.4Å; I1098-V1101 PolarHBondContact O-N 3.43Å; V1101-L1104 PolarHBondContact O-N 2.92Å; V1101-T1105 PolarHBondContact O-N 3.46Å; V1101-T1105 PolarHBondContact O-OG1 3.48Å
1102	L	37.1	Very low	33.6	Very low	58 Å²	58	84.2 Å²	84.2	30%	0.304	47%	0.466	S	S	.	.	H	α-helix	trans	-57.2	-50.6	172.6	-78.7	160.5	0	0	0	111.3	I1098 L1104 T1105 D1106	I1098-L1102 HydrophobicContact CG2-CD1 3.93Å; I1098-L1102 PolarHBondContact O-N 3.17Å; L1102-L1104 VanDerWaalsContact C-N 3.29Å; L1102-L1104 PolarHBondContact O-N 3.06Å; L1102-T1105 CarbonylContact O-C 3.57Å; L1102-T1105 WeakPolarHBondContact O-CA 3.29Å; L1102-T1105 WeakPolarHBondContact O-CB 3.49Å; L1102-T1105 PolarHBondContact O-N 2.59Å; L1102-D1106 VanDerWaalsContact O-CG 3.25Å; L1102-D1106 PolarHBondContact O-N 3.42Å
1103	L	37.9	Very low	33.8	Very low	95 Å²	95	86.8 Å²	86.8	50%	0.497	46%	0.464	S	S	.	.	H	α-helix	trans	-57.4	-39.5	178.5	-166.9	76.6	0	0	0	113.1	N1099 T1105 L1107	N1099-L1103 WeakPolarHBondContact O-CB 3.34Å; N1099-L1103 PolarHBondContact O-N 3.46Å; N1099-L1103 VanDerWaalsContact O-N 3.08Å; L1103-T1105 VanDerWaalsContact C-N 3.33Å; L1103-L1107 HydrophobicContact CG-CD1 4.42Å; L1103-L1107 WeakPolarHBondContact O-CB 3.47Å; L1103-L1107 WeakPolarHBondContact O-CD1 3.49Å; L1103-L1107 VanDerWaalsContact O-CG 3.23Å; L1103-L1107 WeakPolarHBondContact O-CG 3.49Å; L1103-L1107 PolarHBondContact O-N 3.33Å
1104	L	38.2	Very low	34.2	Very low	80 Å²	80	80.5 Å²	80.5	42%	0.419	44%	0.436	S	S	.	.	H	α-helix	trans	-64.8	-36.7	174.2	-93.3	161.3	0	0	0	112.5	S1100 V1101 L1102 L1108 I1114	S1100-L1104 PolarHBondContact O-N 3.45Å; V1101-L1104 PolarHBondContact O-N 2.92Å; L1102-L1104 VanDerWaalsContact C-N 3.29Å; L1102-L1104 PolarHBondContact O-N 3.06Å; L1104-L1108 WeakPolarHBondContact O-CD1 2.94Å; L1104-L1108 WeakPolarHBondContact O-CG 3.41Å; L1104-L1108 PolarHBondContact O-N 2.97Å; L1104-I1114 HydrophobicContact CD2-CD1 3.64Å
1105	T	38.6	Very low	34.2	Very low	55 Å²	55	81.7 Å²	81.7	34%	0.337	43%	0.43	S	S	.	.	H	α-helix	trans	-72.1	-42.8	178.6	-46.9	0	0	0	0	110.9	V1101 L1102 L1103 L1107 L1108 E1109 P1179	V1101-T1105 PolarHBondContact O-N 3.46Å; V1101-T1105 PolarHBondContact O-OG1 3.48Å; L1102-T1105 CarbonylContact O-C 3.57Å; L1102-T1105 WeakPolarHBondContact O-CA 3.29Å; L1102-T1105 WeakPolarHBondContact O-CB 3.49Å; L1102-T1105 PolarHBondContact O-N 2.59Å; L1103-T1105 VanDerWaalsContact C-N 3.33Å; T1105-L1107 PolarHBondContact O-N 3.19Å; T1105-L1108 WeakPolarHBondContact O-CB 3.22Å; T1105-L1108 PolarHBondContact O-N 2.95Å; T1105-E1109 PolarHBondContact O-N 3.38Å; T1105-P1179 HydrophobicContact CG2-CB 4.13Å
1106	D	39.9	Very low	34.2	Very low	57 Å²	57	76.2 Å²	76.2	31%	0.305	41%	0.411	S	S	.	.	H	α-helix	trans	-66.7	-35	178.5	-62.1	-18.8	0	0	0	111.8	L1102 E1109 A1110	L1102-D1106 VanDerWaalsContact O-CG 3.25Å; L1102-D1106 PolarHBondContact O-N 3.42Å; D1106-E1109 PolarHBondContact O-N 3.4Å; D1106-A1110 WeakPolarHBondContact O-CB 3.33Å; D1106-A1110 PolarHBondContact O-N 2.85Å
1107	L	39	Very low	34.2	Very low	63 Å²	63	74 Å²	74	33%	0.33	40%	0.399	S	S	.	.	H	α-helix	trans	-66.5	-37.2	172.5	-75	167.1	0	0	0	112.2	L1103 T1105 A1110 G1111 F1112	L1103-L1107 HydrophobicContact CG-CD1 4.42Å; L1103-L1107 WeakPolarHBondContact O-CB 3.47Å; L1103-L1107 WeakPolarHBondContact O-CD1 3.49Å; L1103-L1107 VanDerWaalsContact O-CG 3.23Å; L1103-L1107 WeakPolarHBondContact O-CG 3.49Å; L1103-L1107 PolarHBondContact O-N 3.33Å; T1105-L1107 PolarHBondContact O-N 3.19Å; L1107-A1110 PolarHBondContact O-N 3.47Å; L1107-G1111 PolarHBondContact O-N 3.1Å; L1107-F1112 HydrophobicContact CD2-CD1 4.32Å; L1107-F1112 HydrophobicContact CD2-CD2 4.23Å; L1107-F1112 HydrophobicContact CD2-CE1 4.17Å; L1107-F1112 HydrophobicContact CD2-CE2 4.12Å; L1107-F1112 HydrophobicContact CD2-CG 4.34Å; L1107-F1112 HydrophobicContact CD2-CZ 4.08Å; L1107-F1112 WeakPolarHBondContact O-CB 3.45Å; L1107-F1112 VanDerWaalsContact O-CD2 3.31Å; L1107-F1112 WeakPolarHBondContact O-CD2 3.48Å; L1107-F1112 PolarHBondContact O-N 3.14Å
1108	L	39.1	Very low	33.8	Very low	59 Å²	59	77.5 Å²	77.5	31%	0.309	41%	0.412	S	S	.	.	H	α-helix	trans	-67.5	-39.8	173	-72.8	163	0	0	0	111.4	L1104 T1105 A1110 G1111 I1114	L1104-L1108 WeakPolarHBondContact O-CD1 2.94Å; L1104-L1108 WeakPolarHBondContact O-CG 3.41Å; L1104-L1108 PolarHBondContact O-N 2.97Å; T1105-L1108 WeakPolarHBondContact O-CB 3.22Å; T1105-L1108 PolarHBondContact O-N 2.95Å; L1108-A1110 VanDerWaalsContact C-N 3.28Å; L1108-A1110 PolarHBondContact O-N 3.14Å; L1108-G1111 PolarHBondContact O-N 3.36Å; L1108-I1114 HydrophobicContact CD1-CD1 4.4Å; L1108-I1114 HydrophobicContact CD2-CB 4.41Å; L1108-I1114 HydrophobicContact CD2-CD1 3.96Å; L1108-I1114 HydrophobicContact CD2-CG1 3.96Å; L1108-I1114 HydrophobicContact CG-CD1 3.91Å; L1108-I1114 HydrophobicContact CG-CG1 4.45Å
1109	E	37.2	Very low	33.6	Very low	82 Å²	82	76.6 Å²	76.6	38%	0.383	41%	0.408	S	S	.	.	H	α-helix	trans	-60.8	-36.1	171.1	-77.5	-151.8	124.4	0	0	113	T1105 D1106 G1111 P1179 L1180	T1105-E1109 PolarHBondContact O-N 3.38Å; D1106-E1109 PolarHBondContact O-N 3.4Å; E1109-G1111 PolarHBondContact O-N 2.83Å; E1109-P1179 HydrophobicContact CG-CB 3.59Å; E1109-P1179 HydrophobicContact CG-CG 4.01Å; E1109-P1179 VanDerWaalsContact OE1-C 3.31Å; E1109-P1179 WeakPolarHBondContact OE1-CB 3.29Å; E1109-L1180 PolarHBondContact OE1-N 2.94Å
1110	A	35.3	Very low	33.5	Very low	15 Å²	15	76.4 Å²	76.4	12%	0.124	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-1.7	178.1	0	0	0	0	0	114.1	L1013 D1106 L1107 L1108 F1112	L1013-A1110 HydrophobicContact CD1-CB 3.71Å; L1013-A1110 HydrophobicContact CD2-CB 4.1Å; D1106-A1110 WeakPolarHBondContact O-CB 3.33Å; D1106-A1110 PolarHBondContact O-N 2.85Å; L1107-A1110 PolarHBondContact O-N 3.47Å; L1108-A1110 VanDerWaalsContact C-N 3.28Å; L1108-A1110 PolarHBondContact O-N 3.14Å; A1110-F1112 HydrophobicContact CB-CD2 3.81Å; A1110-F1112 HydrophobicContact CB-CE2 3.81Å
1111	G	30.2	Very low	33.2	Very low	50 Å²	50	79.5 Å²	79.5	52%	0.515	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	11.8	175.4	0	0	0	0	0	115.2	L1107 L1108 E1109 K1113	L1107-G1111 PolarHBondContact O-N 3.1Å; L1108-G1111 PolarHBondContact O-N 3.36Å; E1109-G1111 PolarHBondContact O-N 2.83Å; G1111-K1113 PolarHBondContact O-N 3.11Å
1112	F	33.1	Very low	33	Very low	60 Å²	60	81.4 Å²	81.4	26%	0.263	43%	0.431	S	S	.	.			trans	-76.3	120.9	176.3	-67.7	-120.4	0	0	0	109.9	P957 L1107 A1110	P957-F1112 HydrophobicContact CB-CD1 4.17Å; P957-F1112 HydrophobicContact CB-CE1 3.22Å; P957-F1112 HydrophobicContact CB-CZ 3.46Å; P957-F1112 VanDerWaalsContact CB-CZ 3.46Å; P957-F1112 HydrophobicContact CG-CD1 4.21Å; P957-F1112 HydrophobicContact CG-CE1 3.61Å; P957-F1112 HydrophobicContact CG-CE2 4.37Å; P957-F1112 HydrophobicContact CG-CZ 3.69Å; L1107-F1112 HydrophobicContact CD2-CD1 4.32Å; L1107-F1112 HydrophobicContact CD2-CD2 4.23Å; L1107-F1112 HydrophobicContact CD2-CE1 4.17Å; L1107-F1112 HydrophobicContact CD2-CE2 4.12Å; L1107-F1112 HydrophobicContact CD2-CG 4.34Å; L1107-F1112 HydrophobicContact CD2-CZ 4.08Å; L1107-F1112 WeakPolarHBondContact O-CB 3.45Å; L1107-F1112 VanDerWaalsContact O-CD2 3.31Å; L1107-F1112 WeakPolarHBondContact O-CD2 3.48Å; L1107-F1112 PolarHBondContact O-N 3.14Å; A1110-F1112 HydrophobicContact CB-CD2 3.81Å; A1110-F1112 HydrophobicContact CB-CE2 3.81Å
1113	K	29.5	Very low	32.5	Very low	160 Å²	160	85.2 Å²	85.2	70%	0.696	45%	0.447	S	S	*	.			trans	-77.5	122.6	170.4	-76.9	-167.5	173.1	-168.6	0	110.4	G1111	G1111-K1113 PolarHBondContact O-N 3.11Å
1114	I	32.6	Very low	32.1	Very low	46 Å²	46	85.8 Å²	85.8	24%	0.236	45%	0.449	C	S	.	.			trans	-106	83.6	176.6	-51.8	-179.1	0	0	0	109.8	L1104 L1108 N1116	L1104-I1114 HydrophobicContact CD2-CD1 3.64Å; L1108-I1114 HydrophobicContact CD1-CD1 4.4Å; L1108-I1114 HydrophobicContact CD2-CB 4.41Å; L1108-I1114 HydrophobicContact CD2-CD1 3.96Å; L1108-I1114 HydrophobicContact CD2-CG1 3.96Å; L1108-I1114 HydrophobicContact CG-CD1 3.91Å; L1108-I1114 HydrophobicContact CG-CG1 4.45Å; I1114-N1116 PolarHBondContact O-N 3.44Å
1115	H	27.3	Very low	31.8	Very low	145 Å²	145	89.4 Å²	89.4	67%	0.671	46%	0.462	S	S	*	.			trans	-86.8	98.6	164.8	-98.5	-73.8	0	0	0	109.2
1116	N	27.6	Very low	31.4	Very low	84 Å²	84	93.4 Å²	93.4	45%	0.449	48%	0.481	S	S	.	.			trans	157.4	50.7	152.2	-81.7	-35.9	0	0	0	112.5	N1085 I1114 I1118	N1085-N1116 PolarHBondContact OD1-ND2 2.82Å; I1114-N1116 PolarHBondContact O-N 3.44Å; N1116-I1118 PolarHBondContact O-N 2.93Å
1117	L	29.5	Very low	30.9	Very low	83 Å²	83	94.8 Å²	94.8	44%	0.435	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-73.3	11.1	176	-113.5	163.1	0	0	0	114.6	L1119 V1120	L1117-L1119 VanDerWaalsContact C-N 3.26Å; L1117-L1119 PolarHBondContact O-N 3.03Å; L1117-V1120 HydrophobicContact CD2-CB 3.96Å; L1117-V1120 HydrophobicContact CD2-CG2 3.8Å
1118	I	26.8	Very low	30.2	Very low	125 Å²	125	100.4 Å²	100.4	64%	0.641	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-66	-24.6	-174.8	-63.6	174.8	0	0	0	112.4	N1116	N1116-I1118 PolarHBondContact O-N 2.93Å
1119	L	26.9	Very low	29.7	Very low	120 Å²	120	104.6 Å²	104.6	63%	0.628	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-89.7	-7.5	-174.4	-86	157.8	0	0	0	115.9	L1117 H1123	L1117-L1119 VanDerWaalsContact C-N 3.26Å; L1117-L1119 PolarHBondContact O-N 3.03Å; L1119-H1123 PolarHBondContact O-CD2 3.39Å
1120	V	29.4	Very low	29.2	Very low	62 Å²	62	108 Å²	108	38%	0.376	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.6	-32.5	-174	-176.2	0	0	0	0	112.9	L1117 H1123 L1124	L1117-V1120 HydrophobicContact CD2-CB 3.96Å; L1117-V1120 HydrophobicContact CD2-CG2 3.8Å; V1120-H1123 PolarHBondContact O-N 3.25Å; V1120-L1124 HydrophobicContact CG1-CD1 4.18Å; V1120-L1124 PolarHBondContact O-N 3.49Å
1121	N	28.1	Very low	28.8	Very low	108 Å²	108	114 Å²	114	58%	0.578	59%	0.589	S	S	*	*	H	α-helix	trans	-72.8	-32.8	-172.3	-88.1	-9.8	0	0	0	114.9	H1123 L1124	N1121-H1123 VanDerWaalsContact C-N 3.34Å; N1121-L1124 PolarHBondContact O-N 3.43Å
1122	D	29.3	Very low	28.6	Very low	103 Å²	103	117.5 Å²	117.5	55%	0.551	60%	0.603	S	S	*	*	H	α-helix	trans	-75.6	-22.2	178.3	-83	-38	0	0	0	113.3	K1125	D1122-K1125 IonicContact OD1-NZ 3.44Å; D1122-K1125 PolarHBondContact OD1-NZ 3.04Å
1123	H	27.9	Very low	28.3	Very low	138 Å²	138	121.8 Å²	121.8	64%	0.639	62%	0.621	S	S	*	*	H	α-helix	trans	-82.2	-19	173.5	-69.7	-53.3	0	0	0	113.6	L1119 V1120 N1121 K1125	L1119-H1123 PolarHBondContact O-CD2 3.39Å; V1120-H1123 PolarHBondContact O-N 3.25Å; N1121-H1123 VanDerWaalsContact C-N 3.34Å; H1123-K1125 VanDerWaalsContact C-N 3.32Å; H1123-K1125 PolarHBondContact O-N 3.06Å
1124	L	29.6	Very low	28.2	Very low	106 Å²	106	118.1 Å²	118.1	56%	0.555	61%	0.614	S	S	*	*	H	α-helix	trans	-73.2	-20.2	174.5	-76.3	167	0	0	0	113.5	V1120 N1121 N1126	V1120-L1124 HydrophobicContact CG1-CD1 4.18Å; V1120-L1124 PolarHBondContact O-N 3.49Å; N1121-L1124 PolarHBondContact O-N 3.43Å; L1124-N1126 PolarHBondContact O-N 3.4Å
1125	K	29.9	Very low	28	Very low	157 Å²	157	122.7 Å²	122.7	68%	0.683	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-19.5	179	-74.3	172.7	179.9	160	0	114.9	D1122 H1123	D1122-K1125 IonicContact OD1-NZ 3.44Å; D1122-K1125 PolarHBondContact OD1-NZ 3.04Å; H1123-K1125 VanDerWaalsContact C-N 3.32Å; H1123-K1125 PolarHBondContact O-N 3.06Å
1126	N	30.2	Very low	28.1	Very low	139 Å²	139	121 Å²	121	74%	0.743	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	7.2	-171.7	-69.9	-15.8	0	0	0	114.4	L1124 Q1128	L1124-N1126 PolarHBondContact O-N 3.4Å; N1126-Q1128 PolarHBondContact O-N 2.97Å
1127	V	29.7	Very low	28.2	Very low	85 Å²	85	122.3 Å²	122.3	52%	0.515	63%	0.63	S	S	.	*			trans	-88.5	95.4	-176.2	-172	0	0	0	0	110.9	L1129	V1127-L1129 HydrophobicContact CG1-CD1 4.42Å; V1127-L1129 HydrophobicContact CG1-CG 4.13Å; V1127-L1129 PolarHBondContact O-N 3.36Å
1128	Q	25.3	Very low	28.2	Very low	182 Å²	182	123.8 Å²	123.8	85%	0.85	63%	0.63	S	S	*	*			trans	-68.7	100.6	168.1	-75	-169.4	-15.3	0	0	110.7	N1126	N1126-Q1128 PolarHBondContact O-N 2.97Å
1129	L	27.4	Very low	28.3	Very low	146 Å²	146	120.9 Å²	120.9	76%	0.764	62%	0.619	S	S	*	*			trans	-86.6	107.6	174.1	-86.2	153.4	0	0	0	111	V1127 N1131	V1127-L1129 HydrophobicContact CG1-CD1 4.42Å; V1127-L1129 HydrophobicContact CG1-CG 4.13Å; V1127-L1129 PolarHBondContact O-N 3.36Å; L1129-N1131 PolarHBondContact O-N 3.33Å
1130	N	28	Very low	28.5	Very low	155 Å²	155	117.7 Å²	117.7	83%	0.829	61%	0.606	S	S	*	*	S	Bend	trans	-72	62.2	169.6	-77.5	-20.2	0	0	0	112
1131	N	27.3	Very low	28.6	Very low	141 Å²	141	118.2 Å²	118.2	75%	0.754	61%	0.606	S	S	*	*	S	Bend	trans	178.7	133.4	151.8	-99.8	-39.1	0	0	0	110.1	L1129 K1133	L1129-N1131 PolarHBondContact O-N 3.33Å; N1131-K1133 PolarHBondContact O-N 3.15Å
1132	P	25.9	Very low	28.7	Very low	123 Å²	123	118.5 Å²	118.5	80%	0.799	60%	0.603	S	S	*	*			trans	-82.9	101.2	-174.7	32.6	-33.7	0	0	0	111.9
1133	K	26.6	Very low	28.6	Very low	150 Å²	150	114.9 Å²	114.9	65%	0.652	59%	0.586	S	S	*	*			trans	-139.4	116.7	154.3	-68.8	-167.6	175.8	-175.1	0	109.8	N1131 Y1135	N1131-K1133 PolarHBondContact O-N 3.15Å; K1133-Y1135 HydrophobicContact CB-CD2 3.78Å; K1133-Y1135 HydrophobicContact CB-CE2 3.4Å; K1133-Y1135 VanDerWaalsContact CB-CE2 3.4Å; K1133-Y1135 HydrophobicContact CD-CE2 3.66Å; K1133-Y1135 HydrophobicContact CG-CE2 4.17Å; K1133-Y1135 PolarHBondContact O-N 3.32Å
1134	P	27.1	Very low	28.6	Very low	83 Å²	83	114.4 Å²	114.4	54%	0.539	59%	0.588	S	S	.	*			trans	-80.8	100.2	-177.4	31.9	-32.1	0	0	0	109.8
1135	Y	27.5	Very low	28.6	Very low	141 Å²	141	113.7 Å²	113.7	55%	0.553	58%	0.584	S	S	*	*			trans	-116.8	103.5	172.5	-65.4	-72.2	0	0	0	109.4	K1133	K1133-Y1135 HydrophobicContact CB-CD2 3.78Å; K1133-Y1135 HydrophobicContact CB-CE2 3.4Å; K1133-Y1135 VanDerWaalsContact CB-CE2 3.4Å; K1133-Y1135 HydrophobicContact CD-CE2 3.66Å; K1133-Y1135 HydrophobicContact CG-CE2 4.17Å; K1133-Y1135 PolarHBondContact O-N 3.32Å
1136	I	29.2	Very low	28.5	Very low	111 Å²	111	111 Å²	111	57%	0.569	58%	0.577	S	S	*	*			trans	-100.6	110.1	170.3	-55.1	178.3	0	0	0	107.4	Y1138	I1136-Y1138 HydrophobicContact CB-CE2 4.4Å; I1136-Y1138 HydrophobicContact CG2-CD2 3.87Å; I1136-Y1138 HydrophobicContact CG2-CE2 3.42Å; I1136-Y1138 VanDerWaalsContact CG2-CE2 3.42Å
1137	I	29.8	Very low	28.4	Very low	111 Å²	111	106.5 Å²	106.5	57%	0.569	56%	0.557	S	S	*	*			trans	-93.4	113	-178.6	-58	174.2	0	0	0	108.6
1138	Y	31.3	Very low	28.4	Very low	114 Å²	114	103.7 Å²	103.7	45%	0.447	54%	0.539	S	S	.	.			trans	-99.6	114	174.2	-80.6	-81.1	0	0	0	111.1	I1136 C1140	I1136-Y1138 HydrophobicContact CB-CE2 4.4Å; I1136-Y1138 HydrophobicContact CG2-CD2 3.87Å; I1136-Y1138 HydrophobicContact CG2-CE2 3.42Å; I1136-Y1138 VanDerWaalsContact CG2-CE2 3.42Å; Y1138-C1140 PolarHBondContact O-N 2.95Å
1139	P	29	Very low	28.6	Very low	64 Å²	64	100.7 Å²	100.7	42%	0.416	53%	0.525	S	S	.	.			trans	-73.2	116.7	172.1	29.4	-32.1	0	0	0	110
1140	C	30.3	Very low	28.8	Very low	52 Å²	52	97.5 Å²	97.5	35%	0.351	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.4	175.7	-65.5	0	0	0	0	110.5	Y1138	Y1138-C1140 PolarHBondContact O-N 2.95Å
1141	I	30.5	Very low	28.8	Very low	74 Å²	74	95.1 Å²	95.1	38%	0.379	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.2	174.7	-53.6	-174.1	0	0	0	108.9	E1149 L1151	I1141-E1149 PolarHBondContact O-N 3.17Å; I1141-L1151 HydrophobicContact CD1-CD1 3.63Å; I1141-L1151 HydrophobicContact CG1-CD1 4.24Å
1142	F	30.5	Very low	28.8	Very low	114 Å²	114	96.2 Å²	96.2	50%	0.5	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	114.4	172.8	-75.9	-83.4	0	0	0	110.2	I1148	F1142-I1148 HydrophobicContact CD1-CG1 4.03Å; F1142-I1148 HydrophobicContact CE1-CD1 3.96Å; F1142-I1148 HydrophobicContact CE1-CG1 3.54Å; F1142-I1148 HydrophobicContact CZ-CD1 4.2Å; F1142-I1148 HydrophobicContact CZ-CG1 4.14Å
1143	S	28.6	Very low	28.7	Very low	27 Å²	27	94.8 Å²	94.8	19%	0.189	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.6	163.6	47.3	0	0	0	0	110.3	N1145 S1147 E1149	S1143-N1145 PolarHBondContact O-N 2.85Å; S1143-S1147 PolarHBondContact N-O 2.89Å; S1143-S1147 PolarHBondContact O-N 3.21Å; S1143-S1147 PolarHBondContact O-OG 3.3Å; S1143-S1147 VanDerWaalsContact O-OG 3.06Å; S1143-S1147 PolarHBondContact OG-OG 3.34Å; S1143-E1149 WeakPolarHBondContact CB-OE2 3.5Å; S1143-E1149 PolarHBondContact OG-OE2 3.13Å
1144	D	27.5	Very low	28.6	Very low	128 Å²	128	94 Å²	94	68%	0.684	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	33.1	69.3	162.3	-62.2	-2.1	0	0	0	118.1	N1146	D1144-N1146 PolarHBondContact O-N 2.85Å
1145	N	29.9	Very low	28.4	Very low	91 Å²	91	95.7 Å²	95.7	49%	0.487	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	-8.4	160.9	-93.5	-18.1	0	0	0	119.2	S1143 K1196	S1143-N1145 PolarHBondContact O-N 2.85Å; N1145-K1196 PolarHBondContact O-NZ 3.32Å
1146	N	28.1	Very low	28.2	Very low	100 Å²	100	95 Å²	95	54%	0.535	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.8	-4.4	-177.9	-63.6	-61.8	0	0	0	115.3	D1144 K1196	D1144-N1146 PolarHBondContact O-N 2.85Å; N1146-K1196 PolarHBondContact OD1-NZ 2.94Å
1147	S	27.8	Very low	27.9	Very low	44 Å²	44	96.9 Å²	96.9	31%	0.308	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.8	179.1	39.1	0	0	0	0	113.4	S1143	S1143-S1147 PolarHBondContact N-O 2.89Å; S1143-S1147 PolarHBondContact O-N 3.21Å; S1143-S1147 PolarHBondContact O-OG 3.3Å; S1143-S1147 VanDerWaalsContact O-OG 3.06Å; S1143-S1147 PolarHBondContact OG-OG 3.34Å
1148	I	28.9	Very low	27.5	Very low	27 Å²	27	98.1 Å²	98.1	14%	0.138	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.2	156.2	-73.5	174.9	0	0	0	105.9	F1142 F1150 V1197	F1142-I1148 HydrophobicContact CD1-CG1 4.03Å; F1142-I1148 HydrophobicContact CE1-CD1 3.96Å; F1142-I1148 HydrophobicContact CE1-CG1 3.54Å; F1142-I1148 HydrophobicContact CZ-CD1 4.2Å; F1142-I1148 HydrophobicContact CZ-CG1 4.14Å; I1148-F1150 HydrophobicContact CG2-CD2 4.08Å; I1148-F1150 HydrophobicContact CG2-CE2 3.82Å; I1148-F1150 HydrophobicContact CG2-CZ 4.23Å; I1148-V1197 HydrophobicContact CB-CG1 4.24Å; I1148-V1197 HydrophobicContact CB-CG2 4.1Å; I1148-V1197 HydrophobicContact CD1-CB 4.26Å; I1148-V1197 HydrophobicContact CD1-CG1 4.19Å; I1148-V1197 HydrophobicContact CD1-CG2 3.84Å; I1148-V1197 HydrophobicContact CG1-CG2 3.8Å
1149	E	30.2	Very low	27.1	Very low	119 Å²	119	99.3 Å²	99.3	56%	0.556	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.3	169.7	-80.9	178.2	121.3	0	0	109.2	I1141 S1143 L1151	I1141-E1149 PolarHBondContact O-N 3.17Å; S1143-E1149 WeakPolarHBondContact CB-OE2 3.5Å; S1143-E1149 PolarHBondContact OG-OE2 3.13Å; E1149-L1151 PolarHBondContact O-N 3.23Å
1150	F	31.5	Very low	26.8	Very low	78 Å²	78	101.9 Å²	101.9	34%	0.342	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.9	120.3	161.7	-69.2	-86.3	0	0	0	108.1	I1148 Y1152 F1204	I1148-F1150 HydrophobicContact CG2-CD2 4.08Å; I1148-F1150 HydrophobicContact CG2-CE2 3.82Å; I1148-F1150 HydrophobicContact CG2-CZ 4.23Å; F1150-Y1152 VanDerWaalsContact C-N 3.25Å; F1150-Y1152 HydrophobicContact CB-CD2 3.71Å; F1150-Y1152 HydrophobicContact CB-CE2 3.67Å; F1150-Y1152 HydrophobicContact CG-CE2 4.37Å; F1150-Y1152 PolarHBondContact O-N 3.03Å; F1150-F1204 HydrophobicContact CE2-CE2 4.34Å; F1150-F1204 HydrophobicContact CZ-CE2 4.29Å
1151	L	28.2	Very low	26.6	Very low	106 Å²	106	105.8 Å²	105.8	56%	0.555	57%	0.569	S	S	*	*			trans	-69.8	80.5	175.6	-85.1	167.4	0	0	0	111	I1141 E1149	I1141-L1151 HydrophobicContact CD1-CD1 3.63Å; I1141-L1151 HydrophobicContact CG1-CD1 4.24Å; E1149-L1151 PolarHBondContact O-N 3.23Å
1152	Y	26.3	Very low	26.3	Very low	164 Å²	164	107.7 Å²	107.7	64%	0.643	59%	0.585	S	S	*	*			trans	-84.2	148.3	165.4	-80.4	-84.5	0	0	0	111	F1150	F1150-Y1152 VanDerWaalsContact C-N 3.25Å; F1150-Y1152 HydrophobicContact CB-CD2 3.71Å; F1150-Y1152 HydrophobicContact CB-CE2 3.67Å; F1150-Y1152 HydrophobicContact CG-CE2 4.37Å; F1150-Y1152 PolarHBondContact O-N 3.03Å
1153	S	24.5	Very low	26.1	Very low	92 Å²	92	107.8 Å²	107.8	64%	0.643	60%	0.595	S	S	*	*			trans	-73.3	141.4	-173.9	53.6	0	0	0	0	114.3
1154	N	24.3	Very low	25.8	Very low	133 Å²	133	114.2 Å²	114.2	71%	0.711	62%	0.622	S	S	*	*			trans	85.9	119.9	153.2	-63.7	-3.8	0	0	0	120.5
1155	T	23.2	Very low	25.7	Very low	119 Å²	119	117.8 Å²	117.8	73%	0.73	63%	0.627	S	S	*	*	S	Bend	trans	-28.5	132.2	148.9	49.7	0	0	0	0	115.8	N1157	T1155-N1157 PolarHBondContact O-N 2.95Å
1156	T	21.9	Very low	25.4	Very low	128 Å²	128	123.4 Å²	123.4	79%	0.785	65%	0.647	S	S	*	*	S	Bend	trans	43.4	71.3	145.7	60.2	0	0	0	0	117.1
1157	N	23	Very low	25.5	Very low	150 Å²	150	124.8 Å²	124.8	80%	0.802	65%	0.653	S	S	*	*			trans	-174.8	144.9	133.6	-94.7	-27.6	0	0	0	110.8	T1155 I1159	T1155-N1157 PolarHBondContact O-N 2.95Å; N1157-I1159 PolarHBondContact O-N 3.45Å
1158	C	21.4	Very low	25.3	Very low	136 Å²	136	130.8 Å²	130.8	92%	0.919	67%	0.674	S	S	*	*			trans	-66	114.7	169.9	-61	0	0	0	0	109.5
1159	I	23	Very low	25.2	Very low	140 Å²	140	138.4 Å²	138.4	72%	0.718	71%	0.709	S	S	*	*			trans	-128.5	117.4	165.3	-58.6	-178	0	0	0	107.8	N1157 L1161	N1157-I1159 PolarHBondContact O-N 3.45Å; I1159-L1161 PolarHBondContact O-N 2.82Å
1160	D	22.7	Very low	25.1	Very low	117 Å²	117	138.8 Å²	138.8	63%	0.626	72%	0.715	S	S	*	*			trans	-74.4	117.2	178.1	-170.3	-17.3	0	0	0	109.6	T1162	D1160-T1162 WeakPolarHBondContact OD1-CB 3.47Å; D1160-T1162 VanDerWaalsContact OD1-CG2 3.29Å; D1160-T1162 WeakPolarHBondContact OD1-CG2 3.22Å; D1160-T1162 PolarHBondContact OD1-N 3.39Å; D1160-T1162 PolarHBondContact OD1-OG1 2.99Å
1161	L	25.6	Very low	24.9	Very low	134 Å²	134	140.8 Å²	140.8	70%	0.702	73%	0.725	S	S	*	*			trans	-100.4	14.2	-174.5	-84	169.4	0	0	0	113.9	I1159 T1163	I1159-L1161 PolarHBondContact O-N 2.82Å; L1161-T1163 PolarHBondContact O-N 3.36Å
1162	T	25.5	Very low	24.9	Very low	115 Å²	115	141.9 Å²	141.9	71%	0.706	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-2.5	177.9	49	0	0	0	0	115.5	D1160	D1160-T1162 WeakPolarHBondContact OD1-CB 3.47Å; D1160-T1162 VanDerWaalsContact OD1-CG2 3.29Å; D1160-T1162 WeakPolarHBondContact OD1-CG2 3.22Å; D1160-T1162 PolarHBondContact OD1-N 3.39Å; D1160-T1162 PolarHBondContact OD1-OG1 2.99Å
1163	T	25.3	Very low	25.2	Very low	116 Å²	116	137.2 Å²	137.2	71%	0.712	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.3	-5	-162.5	48.4	0	0	0	0	118.9	L1161	L1161-T1163 PolarHBondContact O-N 3.36Å
1164	Q	23.5	Very low	25.4	Very low	162 Å²	162	142.5 Å²	142.5	76%	0.757	71%	0.714	S	S	*	*	S	Bend	trans	-129.6	-5.7	-171.7	-80.8	-163.5	-13.8	0	0	120.1
1165	Y	25.4	Very low	25.6	Very low	202 Å²	202	140.9 Å²	140.9	79%	0.792	70%	0.702	S	S	*	*			trans	-123.9	92.9	173.3	-79	-88	0	0	0	112.4	I1167	Y1165-I1167 VanDerWaalsContact C-N 3.34Å; Y1165-I1167 PolarHBondContact O-N 3.26Å
1166	K	23.6	Very low	26.1	Very low	209 Å²	209	138.7 Å²	138.7	91%	0.909	69%	0.685	S	S	*	*			trans	-68.3	93.8	158.6	-80.7	-170.6	173.6	-173.6	0	108.7	K1168	K1166-K1168 PolarHBondContact O-N 3.01Å
1167	I	28.9	Very low	26.5	Very low	129 Å²	129	141.3 Å²	141.3	66%	0.662	68%	0.681	S	S	*	*			trans	-56.5	124.7	159.4	-59.2	174.4	0	0	0	106.3	Y1165 E1171	Y1165-I1167 VanDerWaalsContact C-N 3.34Å; Y1165-I1167 PolarHBondContact O-N 3.26Å; I1167-E1171 HydrophobicContact CG2-CB 4.2Å
1168	K	25.3	Very low	27	Very low	170 Å²	170	137.3 Å²	137.3	74%	0.739	66%	0.657	S	S	*	*			trans	-70.9	148.4	179	-72.3	178.7	177.4	175.4	0	109.2	K1166 N1170 E1171	K1166-K1168 PolarHBondContact O-N 3.01Å; K1168-N1170 PolarHBondContact O-N 2.96Å; K1168-E1171 PolarHBondContact O-N 3.11Å
1169	E	26	Very low	27.3	Very low	187 Å²	187	134.4 Å²	134.4	87%	0.874	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	17.3	-170.6	-62.8	170.3	128.5	0	0	116.7
1170	N	27	Very low	27.6	Very low	127 Å²	127	132.7 Å²	132.7	68%	0.679	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137	7.2	-176	-79	-54.9	0	0	0	115.4	K1168 Y1172	K1168-N1170 PolarHBondContact O-N 2.96Å; N1170-Y1172 WeakPolarHBondContact O-CD2 3.38Å; N1170-Y1172 PolarHBondContact O-N 3.07Å
1171	E	27.4	Very low	28	Very low	121 Å²	121	129.8 Å²	129.8	57%	0.565	63%	0.625	S	S	*	*			trans	-93	83.3	178.7	-70.7	-175.9	166.4	0	0	112.2	I1167 K1168	I1167-E1171 HydrophobicContact CG2-CB 4.2Å; K1168-E1171 PolarHBondContact O-N 3.11Å
1172	Y	29.7	Very low	28.1	Very low	129 Å²	129	128.2 Å²	128.2	51%	0.506	61%	0.61	S	S	.	*			trans	-84.5	122.9	179.1	-61	-90.5	0	0	0	112.5	N1170 R1174	N1170-Y1172 WeakPolarHBondContact O-CD2 3.38Å; N1170-Y1172 PolarHBondContact O-N 3.07Å; Y1172-R1174 PolarHBondContact O-N 2.93Å
1173	I	30.8	Very low	28.2	Very low	65 Å²	65	126.4 Å²	126.4	33%	0.333	60%	0.6	S	S	.	*			trans	-71.3	107.8	164.1	-60	173.5	0	0	0	107.8	F1207 I1211	I1173-F1207 HydrophobicContact CD1-CE2 3.9Å; I1173-F1207 HydrophobicContact CD1-CZ 3.94Å; I1173-I1211 HydrophobicContact CB-CD1 4.05Å
1174	R	28.9	Very low	28.4	Very low	203 Å²	203	125.4 Å²	125.4	77%	0.766	59%	0.589	S	S	*	*			trans	-105.3	-18.5	-177.4	-83	-169.6	172.6	-170.6	-1.5	116.1	Y1172	Y1172-R1174 PolarHBondContact O-N 2.93Å
1175	E	30.1	Very low	28.8	Very low	100 Å²	100	119.2 Å²	119.2	47%	0.467	57%	0.568	S	S	.	*			trans	-140.1	131.7	-176.8	-70.5	-176.4	178	0	0	111.3	W1177	E1175-W1177 PolarHBondContact OE2-NE1 2.96Å
1176	I	32.3	Very low	29.2	Very low	73 Å²	73	114.3 Å²	114.3	37%	0.374	55%	0.549	S	S	.	.			trans	-112.8	114.4	168.8	-60.4	176.6	0	0	0	107.2	F1178 L1214	I1176-F1178 HydrophobicContact CB-CE2 4.23Å; I1176-F1178 HydrophobicContact CG2-CD2 4.23Å; I1176-F1178 HydrophobicContact CG2-CE2 3.73Å; I1176-F1178 HydrophobicContact CG2-CZ 3.95Å; I1176-F1178 PolarHBondContact O-N 3.11Å; I1176-L1214 HydrophobicContact CD1-CD2 4.42Å
1177	W	31.5	Very low	29.6	Very low	183 Å²	183	107.4 Å²	107.4	69%	0.693	52%	0.519	S	S	*	.			trans	-83.2	107	179.1	-81.1	43.1	0	0	0	110.2	E1175	E1175-W1177 PolarHBondContact OE2-NE1 2.96Å
1178	F	32.3	Very low	29.9	Very low	66 Å²	66	105.7 Å²	105.7	29%	0.289	51%	0.511	S	S	.	.			trans	-86.3	141.2	165	-66.7	-84.9	0	0	0	109.5	I1176 L1190	I1176-F1178 HydrophobicContact CB-CE2 4.23Å; I1176-F1178 HydrophobicContact CG2-CD2 4.23Å; I1176-F1178 HydrophobicContact CG2-CE2 3.73Å; I1176-F1178 HydrophobicContact CG2-CZ 3.95Å; I1176-F1178 PolarHBondContact O-N 3.11Å; F1178-L1190 HydrophobicContact CD1-CD2 4.45Å; F1178-L1190 HydrophobicContact CE1-CD2 4.25Å; F1178-L1190 HydrophobicContact CZ-CD2 4.34Å
1179	P	29.1	Very low	30.2	Very low	75 Å²	75	105.3 Å²	105.3	49%	0.487	51%	0.505	S	S	.	.			trans	-76.6	145.1	-177.8	37.4	-39.2	0	0	0	110.7	T1105 E1109	T1105-P1179 HydrophobicContact CG2-CB 4.13Å; E1109-P1179 HydrophobicContact CG-CB 3.59Å; E1109-P1179 HydrophobicContact CG-CG 4.01Å; E1109-P1179 VanDerWaalsContact OE1-C 3.31Å; E1109-P1179 WeakPolarHBondContact OE1-CB 3.29Å
1180	L	28	Very low	30.5	Very low	103 Å²	103	98.2 Å²	98.2	54%	0.539	47%	0.473	S	S	.	.			trans	-116.2	114.4	-151	-87.5	167.6	0	0	0	114.5	R1010 E1109	R1010-L1180 PolarHBondContact NH2-O 3.13Å; R1010-L1180 VanDerWaalsContact NH2-O 3.15Å; E1109-L1180 PolarHBondContact OE1-N 2.94Å
1181	G	30.9	Very low	30.9	Very low	56 Å²	56	93.3 Å²	93.3	58%	0.577	45%	0.448	S	S	*	.			trans	179.8	7.6	167.8	0	0	0	0	0	120.6
1182	R	28	Very low	31.2	Very low	102 Å²	102	89.1 Å²	89.1	39%	0.385	43%	0.431	S	S	.	.			trans	-124.4	146.8	-171.4	-62.4	-175	-176.6	-170.9	2	113.4	F1016 Y1186	F1016-R1182 PolarHBondContact O-NH1 3Å; R1182-Y1186 HydrophobicContact CB-CD2 3.88Å; R1182-Y1186 HydrophobicContact CB-CE2 4.34Å; R1182-Y1186 HydrophobicContact CB-CG 4.32Å; R1182-Y1186 HydrophobicContact CG-CD2 4.47Å; R1182-Y1186 HydrophobicContact CG-CE2 4.45Å; R1182-Y1186 PolarHBondContact NH1-OH 3.37Å
1183	P	28	Very low	31.4	Very low	76 Å²	76	84.6 Å²	84.6	49%	0.494	42%	0.418	S	S	.	.			trans	-61.9	164	-179	-22.5	33.5	0	0	0	114.4	G1185 Y1186 F1310	P1183-G1185 PolarHBondContact O-N 3.44Å; P1183-Y1186 PolarHBondContact O-N 3.27Å; P1183-F1310 HydrophobicContact CB-CD1 4.29Å; P1183-F1310 HydrophobicContact CB-CE1 4.2Å
1184	M	30.2	Very low	31.6	Very low	96 Å²	96	84.4 Å²	84.4	47%	0.473	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-44.9	-18.9	-178.1	-112.1	-69	176	0	0	116.8	Y1186 F1187 F1232	M1184-Y1186 PolarHBondContact O-N 3.2Å; M1184-Y1186 VanDerWaalsContact O-N 3.15Å; M1184-F1187 HydrophobicContact CE-CB 4.25Å; M1184-F1187 HydrophobicContact CE-CD1 4.42Å; M1184-F1187 HydrophobicContact CE-CD2 4.16Å; M1184-F1187 HydrophobicContact CE-CG 4.04Å; M1184-F1187 WeakPolarHBondContact O-CB 3.49Å; M1184-F1187 PolarHBondContact O-N 3.02Å; M1184-F1187 HydrophobicContact SD-CB 3.41Å; M1184-F1187 WeakPolarHBondContact SD-CB 3.14Å; M1184-F1187 HydrophobicContact SD-CD1 4.42Å; M1184-F1187 HydrophobicContact SD-CD2 4.38Å; M1184-F1187 HydrophobicContact SD-CG 3.86Å; M1184-F1232 HydrophobicContact CE-CE1 3.77Å; M1184-F1232 HydrophobicContact CE-CZ 3.67Å
1185	G	32	Very low	31.8	Very low	31 Å²	31	76.8 Å²	76.8	32%	0.32	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-57.8	-20.4	168.5	0	0	0	0	0	114.4	P1183	P1183-G1185 PolarHBondContact O-N 3.44Å
1186	Y	32.9	Very low	31.8	Very low	99 Å²	99	74.8 Å²	74.8	39%	0.388	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-70.8	-34.1	168.9	-111.9	-105.3	0	0	0	112.8	R1182 P1183 M1184 N1188 R1189 L1190	R1182-Y1186 HydrophobicContact CB-CD2 3.88Å; R1182-Y1186 HydrophobicContact CB-CE2 4.34Å; R1182-Y1186 HydrophobicContact CB-CG 4.32Å; R1182-Y1186 HydrophobicContact CG-CD2 4.47Å; R1182-Y1186 HydrophobicContact CG-CE2 4.45Å; R1182-Y1186 PolarHBondContact NH1-OH 3.37Å; P1183-Y1186 PolarHBondContact O-N 3.27Å; M1184-Y1186 PolarHBondContact O-N 3.2Å; M1184-Y1186 VanDerWaalsContact O-N 3.15Å; Y1186-N1188 PolarHBondContact O-N 3.44Å; Y1186-R1189 CarbonylContact O-C 3.48Å; Y1186-R1189 PolarHBondContact O-N 2.94Å; Y1186-L1190 HydrophobicContact CD1-CD1 4.44Å; Y1186-L1190 WeakPolarHBondContact O-CB 3.44Å; Y1186-L1190 PolarHBondContact O-N 3.21Å
1187	F	33.2	Very low	31.8	Very low	64 Å²	64	72.1 Å²	72.1	28%	0.281	37%	0.372	S	S	.	.	H	α-helix	trans	-65.3	-38	-178.3	-148.4	-91	0	0	0	112	M1184 R1189 L1190 S1191	M1184-F1187 HydrophobicContact CE-CB 4.25Å; M1184-F1187 HydrophobicContact CE-CD1 4.42Å; M1184-F1187 HydrophobicContact CE-CD2 4.16Å; M1184-F1187 HydrophobicContact CE-CG 4.04Å; M1184-F1187 WeakPolarHBondContact O-CB 3.49Å; M1184-F1187 PolarHBondContact O-N 3.02Å; M1184-F1187 HydrophobicContact SD-CB 3.41Å; M1184-F1187 WeakPolarHBondContact SD-CB 3.14Å; M1184-F1187 HydrophobicContact SD-CD1 4.42Å; M1184-F1187 HydrophobicContact SD-CD2 4.38Å; M1184-F1187 HydrophobicContact SD-CG 3.86Å; F1187-R1189 VanDerWaalsContact C-N 3.26Å; F1187-R1189 PolarHBondContact O-N 3.46Å; F1187-L1190 PolarHBondContact O-N 2.61Å; F1187-S1191 WeakPolarHBondContact O-CB 3.16Å; F1187-S1191 PolarHBondContact O-N 3.32Å; F1187-S1191 PolarHBondContact O-OG 3.38Å
1188	N	33.5	Very low	31.8	Very low	94 Å²	94	65.3 Å²	65.3	50%	0.503	35%	0.349	S	S	.	.	H	α-helix	trans	-69.1	-18.2	172.6	-82	-24.1	0	0	0	114.2	Y1186 S1191 V1192	Y1186-N1188 PolarHBondContact O-N 3.44Å; N1188-S1191 PolarHBondContact O-OG 3.49Å; N1188-V1192 VanDerWaalsContact O-CG2 3.25Å; N1188-V1192 WeakPolarHBondContact O-CG2 3.44Å
1189	R	32	Very low	31.8	Very low	162 Å²	162	66.8 Å²	66.8	61%	0.611	37%	0.366	S	S	*	.	H	α-helix	trans	-92.9	-33.5	170.7	-69.7	-175.7	178.2	-175.2	0.8	111.6	Y1186 F1187 V1192 S1193	Y1186-R1189 CarbonylContact O-C 3.48Å; Y1186-R1189 PolarHBondContact O-N 2.94Å; F1187-R1189 VanDerWaalsContact C-N 3.26Å; F1187-R1189 PolarHBondContact O-N 3.46Å; R1189-V1192 PolarHBondContact O-N 2.92Å; R1189-S1193 VanDerWaalsContact O-CB 3.31Å; R1189-S1193 WeakPolarHBondContact O-CB 3.24Å; R1189-S1193 PolarHBondContact O-N 3.18Å; R1189-S1193 PolarHBondContact O-OG 2.7Å
1190	L	33	Very low	32	Very low	37 Å²	37	69.7 Å²	69.7	19%	0.194	38%	0.377	C	S	.	.	H	α-helix	trans	-59.9	-51.2	171.6	-128.9	80.6	0	0	0	109.4	F1178 Y1186 F1187 V1192 S1193 L1194	F1178-L1190 HydrophobicContact CD1-CD2 4.45Å; F1178-L1190 HydrophobicContact CE1-CD2 4.25Å; F1178-L1190 HydrophobicContact CZ-CD2 4.34Å; Y1186-L1190 HydrophobicContact CD1-CD1 4.44Å; Y1186-L1190 WeakPolarHBondContact O-CB 3.44Å; Y1186-L1190 PolarHBondContact O-N 3.21Å; F1187-L1190 PolarHBondContact O-N 2.61Å; L1190-V1192 PolarHBondContact O-N 3.26Å; L1190-S1193 PolarHBondContact O-N 3.48Å; L1190-L1194 HydrophobicContact CB-CD1 4.4Å; L1190-L1194 HydrophobicContact CD2-CD1 4.18Å; L1190-L1194 HydrophobicContact CG-CD1 4.11Å; L1190-L1194 VanDerWaalsContact O-CB 3.24Å; L1190-L1194 WeakPolarHBondContact O-CB 3.33Å; L1190-L1194 WeakPolarHBondContact O-CD1 3.42Å; L1190-L1194 PolarHBondContact O-N 2.82Å
1191	S	35.3	Very low	32.2	Very low	24 Å²	24	69.9 Å²	69.9	17%	0.168	38%	0.375	C	S	.	.	H	α-helix	trans	-60	-43.7	178.8	62.6	0	0	0	0	112.3	F1187 N1188 C1195	F1187-S1191 WeakPolarHBondContact O-CB 3.16Å; F1187-S1191 PolarHBondContact O-N 3.32Å; F1187-S1191 PolarHBondContact O-OG 3.38Å; N1188-S1191 PolarHBondContact O-OG 3.49Å; S1191-C1195 WeakPolarHBondContact O-CB 3.45Å; S1191-C1195 PolarHBondContact O-N 2.77Å; S1191-C1195 PolarHBondContact O-SG 2.66Å
1192	V	33.7	Very low	32.1	Very low	33 Å²	33	73.2 Å²	73.2	20%	0.2	39%	0.385	C	S	.	.	H	α-helix	trans	-67.7	-35.2	177.3	171.7	0	0	0	0	112.4	N1188 R1189 L1190 K1196 I1267	N1188-V1192 VanDerWaalsContact O-CG2 3.25Å; N1188-V1192 WeakPolarHBondContact O-CG2 3.44Å; R1189-V1192 PolarHBondContact O-N 2.92Å; L1190-V1192 PolarHBondContact O-N 3.26Å; V1192-K1196 VanDerWaalsContact O-CG 3.32Å; V1192-K1196 WeakPolarHBondContact O-CG 3.3Å; V1192-K1196 PolarHBondContact O-N 3.38Å; V1192-K1196 VanDerWaalsContact O-N 3.11Å; V1192-I1267 HydrophobicContact CG1-CG2 4.18Å; V1192-I1267 HydrophobicContact CG2-CD1 3.79Å
1193	S	33.3	Very low	32.3	Very low	35 Å²	35	76 Å²	76	25%	0.245	40%	0.4	C	S	.	.	H	α-helix	trans	-79.5	-38.2	177.4	-67.8	0	0	0	0	112.9	R1189 L1190 K1196 V1197	R1189-S1193 VanDerWaalsContact O-CB 3.31Å; R1189-S1193 WeakPolarHBondContact O-CB 3.24Å; R1189-S1193 PolarHBondContact O-N 3.18Å; R1189-S1193 PolarHBondContact O-OG 2.7Å; L1190-S1193 PolarHBondContact O-N 3.48Å; S1193-K1196 PolarHBondContact O-N 3.05Å; S1193-V1197 VanDerWaalsContact O-CG2 3.29Å; S1193-V1197 WeakPolarHBondContact O-CG2 3.28Å; S1193-V1197 PolarHBondContact O-N 3.04Å
1194	L	34.7	Very low	32.5	Very low	61 Å²	61	74.4 Å²	74.4	32%	0.319	39%	0.385	S	S	.	.	H	α-helix	trans	-60	-52.6	169.2	-87.3	149	0	0	0	109.6	L1190 K1196 V1197 I1198	L1190-L1194 HydrophobicContact CB-CD1 4.4Å; L1190-L1194 HydrophobicContact CD2-CD1 4.18Å; L1190-L1194 HydrophobicContact CG-CD1 4.11Å; L1190-L1194 VanDerWaalsContact O-CB 3.24Å; L1190-L1194 WeakPolarHBondContact O-CB 3.33Å; L1190-L1194 WeakPolarHBondContact O-CD1 3.42Å; L1190-L1194 PolarHBondContact O-N 2.82Å; L1194-K1196 VanDerWaalsContact C-N 3.27Å; L1194-K1196 PolarHBondContact O-N 3.36Å; L1194-V1197 PolarHBondContact O-N 3.33Å; L1194-V1197 VanDerWaalsContact O-N 3.09Å; L1194-I1198 HydrophobicContact CB-CD1 4.18Å; L1194-I1198 HydrophobicContact CD2-CD1 4.38Å; L1194-I1198 VanDerWaalsContact O-CB 3.23Å; L1194-I1198 WeakPolarHBondContact O-CB 3.37Å; L1194-I1198 WeakPolarHBondContact O-CD1 3.23Å; L1194-I1198 WeakPolarHBondContact O-CG1 3.19Å; L1194-I1198 PolarHBondContact O-N 3.32Å
1195	C	33.5	Very low	32.6	Very low	42 Å²	42	76 Å²	76	28%	0.284	39%	0.394	S	S	.	.	H	α-helix	trans	-57.6	-35.8	176.2	-72.6	0	0	0	0	113.2	S1191 C1199	S1191-C1195 WeakPolarHBondContact O-CB 3.45Å; S1191-C1195 PolarHBondContact O-N 2.77Å; S1191-C1195 PolarHBondContact O-SG 2.66Å; C1195-C1199 WeakPolarHBondContact O-CB 3.43Å; C1195-C1199 PolarHBondContact O-N 2.81Å; C1195-C1199 VanDerWaalsContact O-N 3.12Å; C1195-C1199 PolarHBondContact O-SG 3.28Å
1196	K	30.4	Very low	32.7	Very low	59 Å²	59	82.5 Å²	82.5	26%	0.257	42%	0.416	S	S	.	.	H	α-helix	trans	-64.4	-48.9	172.3	-79.8	176.4	-177.4	-175.7	0	112.3	N1145 N1146 V1192 S1193 L1194 I1198 C1199 D1200	N1145-K1196 PolarHBondContact O-NZ 3.32Å; N1146-K1196 PolarHBondContact OD1-NZ 2.94Å; V1192-K1196 VanDerWaalsContact O-CG 3.32Å; V1192-K1196 WeakPolarHBondContact O-CG 3.3Å; V1192-K1196 PolarHBondContact O-N 3.38Å; V1192-K1196 VanDerWaalsContact O-N 3.11Å; S1193-K1196 PolarHBondContact O-N 3.05Å; L1194-K1196 VanDerWaalsContact C-N 3.27Å; L1194-K1196 PolarHBondContact O-N 3.36Å; K1196-I1198 VanDerWaalsContact C-N 3.33Å; K1196-I1198 PolarHBondContact O-N 3.26Å; K1196-C1199 PolarHBondContact O-N 3.05Å; K1196-C1199 VanDerWaalsContact O-N 3.16Å; K1196-D1200 PolarHBondContact O-N 3.08Å; K1196-D1200 VanDerWaalsContact O-N 3.12Å
1197	V	33.3	Very low	32.8	Very low	17 Å²	17	81.2 Å²	81.2	10%	0.103	41%	0.413	C	S	.	.	H	α-helix	trans	-67.1	-37.3	-177.4	172.5	0	0	0	0	111.4	I1148 S1193 L1194 C1199	I1148-V1197 HydrophobicContact CB-CG1 4.24Å; I1148-V1197 HydrophobicContact CB-CG2 4.1Å; I1148-V1197 HydrophobicContact CD1-CB 4.26Å; I1148-V1197 HydrophobicContact CD1-CG1 4.19Å; I1148-V1197 HydrophobicContact CD1-CG2 3.84Å; I1148-V1197 HydrophobicContact CG1-CG2 3.8Å; S1193-V1197 VanDerWaalsContact O-CG2 3.29Å; S1193-V1197 WeakPolarHBondContact O-CG2 3.28Å; S1193-V1197 PolarHBondContact O-N 3.04Å; L1194-V1197 PolarHBondContact O-N 3.33Å; L1194-V1197 VanDerWaalsContact O-N 3.09Å; V1197-C1199 VanDerWaalsContact C-N 3.28Å; V1197-C1199 PolarHBondContact O-N 3.12Å
1198	I	31.3	Very low	32.8	Very low	40 Å²	40	81 Å²	81	21%	0.205	42%	0.418	C	S	.	.	H	α-helix	trans	-64.6	-30.7	173.7	-69.9	166	0	0	0	111.6	L1194 K1196 F1204 Y1236	L1194-I1198 HydrophobicContact CB-CD1 4.18Å; L1194-I1198 HydrophobicContact CD2-CD1 4.38Å; L1194-I1198 VanDerWaalsContact O-CB 3.23Å; L1194-I1198 WeakPolarHBondContact O-CB 3.37Å; L1194-I1198 WeakPolarHBondContact O-CD1 3.23Å; L1194-I1198 WeakPolarHBondContact O-CG1 3.19Å; L1194-I1198 PolarHBondContact O-N 3.32Å; K1196-I1198 VanDerWaalsContact C-N 3.33Å; K1196-I1198 PolarHBondContact O-N 3.26Å; I1198-F1204 HydrophobicContact CG1-CD1 4.21Å; I1198-F1204 HydrophobicContact CG1-CE1 3.92Å; I1198-Y1236 HydrophobicContact CD1-CE2 4.3Å; I1198-Y1236 HydrophobicContact CG2-CE2 4.19Å; I1198-Y1236 WeakPolarHBondContact CG2-OH 3.45Å
1199	C	32.2	Very low	32.8	Very low	97 Å²	97	80 Å²	80	66%	0.655	43%	0.43	S	S	*	.	H	α-helix	trans	-87.9	-22.2	179.4	-73.5	0	0	0	0	115.3	C1195 K1196 V1197	C1195-C1199 WeakPolarHBondContact O-CB 3.43Å; C1195-C1199 PolarHBondContact O-N 2.81Å; C1195-C1199 VanDerWaalsContact O-N 3.12Å; C1195-C1199 PolarHBondContact O-SG 3.28Å; K1196-C1199 PolarHBondContact O-N 3.05Å; K1196-C1199 VanDerWaalsContact O-N 3.16Å; V1197-C1199 VanDerWaalsContact C-N 3.28Å; V1197-C1199 PolarHBondContact O-N 3.12Å
1200	D	33.3	Very low	33	Very low	135 Å²	135	76.1 Å²	76.1	72%	0.722	43%	0.428	S	S	*	.	H	α-helix	trans	-108.6	0.3	-168.8	-86.6	-32	0	0	0	115.6	K1196	K1196-D1200 PolarHBondContact O-N 3.08Å; K1196-D1200 VanDerWaalsContact O-N 3.12Å
1201	Q	31	Very low	33.1	Very low	107 Å²	107	76.7 Å²	76.7	50%	0.5	43%	0.431	S	S	.	.			trans	-130.4	116.6	177.7	-66.8	-150.5	8.8	0	0	115.9	K1203 F1204	Q1201-K1203 PolarHBondContact O-N 2.77Å; Q1201-K1203 VanDerWaalsContact O-N 3.1Å; Q1201-F1204 PolarHBondContact O-N 3.06Å; Q1201-F1204 VanDerWaalsContact O-N 3.14Å
1202	T	29.2	Very low	33.3	Very low	126 Å²	126	80.2 Å²	80.2	77%	0.773	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.2	170.1	41.5	0	0	0	0	114.3
1203	K	32.1	Very low	33.5	Very low	161 Å²	161	83.6 Å²	83.6	70%	0.7	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.4	177.9	-67.1	-172.2	175.3	-174.2	0	114.7	Q1201	Q1201-K1203 PolarHBondContact O-N 2.77Å; Q1201-K1203 VanDerWaalsContact O-N 3.1Å
1204	F	33	Very low	33.6	Very low	42 Å²	42	86.7 Å²	86.7	18%	0.184	48%	0.483	C	S	.	.	S	Bend	trans	-82.5	-19.8	-179.3	-153.5	-109	0	0	0	112.7	F1150 I1198 Q1201 E1206 F1207 C1208	F1150-F1204 HydrophobicContact CE2-CE2 4.34Å; F1150-F1204 HydrophobicContact CZ-CE2 4.29Å; I1198-F1204 HydrophobicContact CG1-CD1 4.21Å; I1198-F1204 HydrophobicContact CG1-CE1 3.92Å; Q1201-F1204 PolarHBondContact O-N 3.06Å; Q1201-F1204 VanDerWaalsContact O-N 3.14Å; F1204-E1206 VanDerWaalsContact C-N 3.33Å; F1204-E1206 PolarHBondContact O-N 2.91Å; F1204-F1207 HydrophobicContact CE2-CD1 4.09Å; F1204-F1207 HydrophobicContact CZ-CD1 4.25Å; F1204-F1207 PolarHBondContact O-N 3.32Å; F1204-F1207 VanDerWaalsContact O-N 3.14Å; F1204-C1208 VanDerWaalsContact CD1-SG 3.6Å; F1204-C1208 WeakPolarHBondContact CE1-SG 3.47Å; F1204-C1208 PolarHBondContact O-N 3.37Å; F1204-C1208 VanDerWaalsContact O-N 3.11Å
1205	I	31.5	Very low	33.6	Very low	131 Å²	131	89.9 Å²	89.9	67%	0.672	50%	0.495	S	S	*	.	H	α-helix	trans	-66.3	-34.5	-178.1	-62.1	173.6	0	0	0	111.5	F1207	I1205-F1207 VanDerWaalsContact C-N 3.34Å
1206	E	34.3	Very low	33.8	Very low	166 Å²	166	91.6 Å²	91.6	78%	0.776	50%	0.496	S	S	*	.	H	α-helix	trans	-72.9	-24.9	174.5	-66.1	-179.2	144.9	0	0	112.9	F1204	F1204-E1206 VanDerWaalsContact C-N 3.33Å; F1204-E1206 PolarHBondContact O-N 2.91Å
1207	F	34.9	Very low	33.9	Very low	73 Å²	73	92.6 Å²	92.6	32%	0.32	51%	0.507	S	S	.	.	H	α-helix	trans	-81.8	-37.8	179.5	-172.9	-99.7	0	0	0	112.4	I1173 F1204 I1205 I1211	I1173-F1207 HydrophobicContact CD1-CE2 3.9Å; I1173-F1207 HydrophobicContact CD1-CZ 3.94Å; F1204-F1207 HydrophobicContact CE2-CD1 4.09Å; F1204-F1207 HydrophobicContact CZ-CD1 4.25Å; F1204-F1207 PolarHBondContact O-N 3.32Å; F1204-F1207 VanDerWaalsContact O-N 3.14Å; I1205-F1207 VanDerWaalsContact C-N 3.34Å; F1207-I1211 HydrophobicContact CE1-CD1 4.27Å; F1207-I1211 HydrophobicContact CZ-CD1 4.38Å
1208	C	32.9	Very low	33.9	Very low	58 Å²	58	95.5 Å²	95.5	39%	0.392	52%	0.519	S	S	.	.	H	α-helix	trans	-78.1	-12.7	-179.8	-76.5	0	0	0	0	114.9	F1204 S1210	F1204-C1208 VanDerWaalsContact CD1-SG 3.6Å; F1204-C1208 WeakPolarHBondContact CE1-SG 3.47Å; F1204-C1208 PolarHBondContact O-N 3.37Å; F1204-C1208 VanDerWaalsContact O-N 3.11Å; C1208-S1210 PolarHBondContact O-N 3.3Å
1209	G	34.3	Very low	33.9	Very low	73 Å²	73	100.7 Å²	100.7	75%	0.753	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-5	176.4	0	0	0	0	0	115.3
1210	S	36.3	Very low	33.8	Very low	81 Å²	81	98.1 Å²	98.1	57%	0.566	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.5	-5.6	-166.6	-45.8	0	0	0	0	115	C1208	C1208-S1210 PolarHBondContact O-N 3.3Å
1211	I	35.4	Very low	33.5	Very low	50 Å²	50	97.1 Å²	97.1	26%	0.256	52%	0.518	S	S	.	.			trans	-135.4	96.6	-168.3	-50.4	178.1	0	0	0	110.3	I1173 F1207	I1173-I1211 HydrophobicContact CB-CD1 4.05Å; F1207-I1211 HydrophobicContact CE1-CD1 4.27Å; F1207-I1211 HydrophobicContact CZ-CD1 4.38Å
1212	P	38.2	Very low	33.4	Very low	98 Å²	98	98.2 Å²	98.2	64%	0.636	52%	0.521	S	S	*	.			trans	-70.9	-36.2	-178.7	-21.3	34.1	0	0	0	114.5
1213	D	37.6	Very low	33.4	Very low	104 Å²	104	99.7 Å²	99.7	56%	0.556	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.1	-168	-56.8	-46.4	0	0	0	112.2
1214	L	36.3	Very low	33.2	Very low	100 Å²	100	99.2 Å²	99.2	52%	0.524	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	106.9	170.8	-107.9	153.5	0	0	0	109.7	I1176 V1234	I1176-L1214 HydrophobicContact CD1-CD2 4.42Å; L1214-V1234 PolarHBondContact N-O 3.21Å; L1214-V1234 PolarHBondContact O-N 2.67Å
1215	K	34.4	Very low	33	Very low	128 Å²	128	103.2 Å²	103.2	56%	0.557	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.8	125.2	-178.6	-122.6	175.5	-175.5	170.6	0	111.4	I1233	K1215-I1233 HydrophobicContact CG-CG1 4.2Å
1216	Y	37.3	Very low	32.8	Very low	78 Å²	78	103.8 Å²	103.8	31%	0.306	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.1	132.8	173.2	-170.9	-88.4	0	0	0	110	E1218 T1231 F1232	Y1216-E1218 HydrophobicContact CE1-CB 4.42Å; Y1216-T1231 WeakPolarHBondContact O-CA 3.41Å; Y1216-F1232 AromaticContact CD1-CD2 3.92Å; Y1216-F1232 HydrophobicContact CD1-CD2 3.92Å; Y1216-F1232 PolarHBondContact N-O 2.96Å; Y1216-F1232 PolarHBondContact O-N 3.19Å
1217	T	32.5	Very low	32.6	Very low	79 Å²	79	99.7 Å²	99.7	49%	0.485	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.6	121.2	-176.7	-29.2	0	0	0	0	110.6	N1230	T1217-N1230 CarbonylContact C-O 3.6Å; T1217-N1230 WeakPolarHBondContact CA-O 3.45Å
1218	E	34.5	Very low	32.4	Very low	79 Å²	79	100.1 Å²	100.1	37%	0.369	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.4	138	174.7	-167.9	-175.5	-150.6	0	0	109.7	Y1216 N1230	Y1216-E1218 HydrophobicContact CE1-CB 4.42Å; E1218-N1230 HydrophobicContact CB-CB 4.2Å; E1218-N1230 PolarHBondContact N-O 3.42Å; E1218-N1230 PolarHBondContact O-N 3.37Å; E1218-N1230 PolarHBondContact OE2-ND2 3.4Å
1219	K	29.9	Very low	32.6	Very low	148 Å²	148	101.3 Å²	101.3	64%	0.643	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.1	107.4	-174.4	-153	178.6	-170	-176.8	0	109.4	V1227	K1219-V1227 HydrophobicContact CG-CG1 4.05Å
1220	I	31.1	Very low	32.7	Very low	43 Å²	43	98.6 Å²	98.6	22%	0.221	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.6	176.1	-59	179.9	0	0	0	109.1	F1222 K1228 N1230	I1220-F1222 HydrophobicContact CG2-CD2 3.78Å; I1220-F1222 HydrophobicContact CG2-CE2 3.58Å; I1220-K1228 PolarHBondContact N-O 3.41Å; I1220-K1228 VanDerWaalsContact N-O 3.08Å; I1220-K1228 PolarHBondContact O-N 2.93Å; I1220-N1230 VanDerWaalsContact CD1-ND2 3.33Å; I1220-N1230 WeakPolarHBondContact CD1-ND2 3.38Å
1221	V	27.4	Very low	32.7	Very low	115 Å²	115	96 Å²	96	70%	0.697	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.8	173.4	-177.8	0	0	0	0	108.2
1222	F	27.6	Very low	32.9	Very low	129 Å²	129	94.9 Å²	94.9	57%	0.566	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-97.3	157.6	163	-83	-87.5	0	0	0	109.6	I1220 D1224	I1220-F1222 HydrophobicContact CG2-CD2 3.78Å; I1220-F1222 HydrophobicContact CG2-CE2 3.58Å; F1222-D1224 PolarHBondContact O-N 2.98Å
1223	N	29.3	Very low	33	Very low	157 Å²	157	91.1 Å²	91.1	84%	0.84	47%	0.469	S	S	*	.	S	Bend	trans	-56.7	133.3	173.4	-71	-2	0	0	0	110.1
1224	D	28.7	Very low	33.1	Very low	151 Å²	151	87.9 Å²	87.9	81%	0.807	45%	0.453	S	S	*	.	S	Bend	trans	44.7	107.1	170.3	-54.4	-26.4	0	0	0	117.5	F1222	F1222-D1224 PolarHBondContact O-N 2.98Å
1225	S	28.7	Very low	33.1	Very low	127 Å²	127	84.2 Å²	84.2	89%	0.888	44%	0.435	S	S	*	.	S	Bend	trans	97	-11.5	156.7	80.2	0	0	0	0	121.9
1226	M	27.2	Very low	33.2	Very low	142 Å²	142	83 Å²	83	70%	0.7	43%	0.428	S	S	*	.			trans	-140.5	127.4	168.9	-81.8	-156.3	169.5	0	0	115.8
1227	V	30.6	Very low	33.1	Very low	80 Å²	80	83.5 Å²	83.5	49%	0.485	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.1	167.7	-179.4	0	0	0	0	109	K1219	K1219-V1227 HydrophobicContact CG-CG1 4.05Å
1228	K	31.5	Very low	33.2	Very low	83 Å²	83	87.6 Å²	87.6	36%	0.361	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.2	174.6	-80	174.1	157.8	-134.6	0	109.8	I1220 N1249	I1220-K1228 PolarHBondContact N-O 3.41Å; I1220-K1228 VanDerWaalsContact N-O 3.08Å; I1220-K1228 PolarHBondContact O-N 2.93Å; K1228-N1249 HydrophobicContact CD-CB 4.3Å; K1228-N1249 WeakPolarHBondContact CD-O 3.4Å; K1228-N1249 WeakPolarHBondContact CE-O 3.37Å; K1228-N1249 PolarHBondContact NZ-O 3.4Å
1229	H	35.6	Very low	32.9	Very low	83 Å²	83	90.9 Å²	90.9	38%	0.384	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.3	-177.6	-71.5	-87.7	0	0	0	110.7	T1247 G1250	H1229-T1247 PolarHBondContact O-OG1 3.45Å; H1229-G1250 PolarHBondContact O-N 3.43Å
1230	N	36.6	Very low	33	Very low	15 Å²	15	90.3 Å²	90.3	8%	0.08	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.2	157.9	-56.6	-24.1	0	0	0	108	T1217 E1218 I1220 F1232 T1247 V1248 N1249	T1217-N1230 CarbonylContact C-O 3.6Å; T1217-N1230 WeakPolarHBondContact CA-O 3.45Å; E1218-N1230 HydrophobicContact CB-CB 4.2Å; E1218-N1230 PolarHBondContact N-O 3.42Å; E1218-N1230 PolarHBondContact O-N 3.37Å; E1218-N1230 PolarHBondContact OE2-ND2 3.4Å; I1220-N1230 VanDerWaalsContact CD1-ND2 3.33Å; I1220-N1230 WeakPolarHBondContact CD1-ND2 3.38Å; N1230-F1232 HydrophobicContact CB-CE2 4.39Å; N1230-T1247 VanDerWaalsContact CA-O 3.24Å; N1230-T1247 WeakPolarHBondContact CA-O 3.29Å; N1230-T1247 VanDerWaalsContact CB-O 3.3Å; N1230-T1247 WeakPolarHBondContact CB-O 3.4Å; N1230-V1248 WeakPolarHBondContact OD1-CA 3.31Å; N1230-N1249 PolarHBondContact OD1-N 2.89Å
1231	T	37.2	Very low	33.2	Very low	28 Å²	28	92.1 Å²	92.1	17%	0.172	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135	-178.1	-44.9	0	0	0	0	108.2	Y1216 I1233 V1246 T1247	Y1216-T1231 WeakPolarHBondContact O-CA 3.41Å; T1231-I1233 HydrophobicContact CG2-CG1 4.43Å; T1231-V1246 WeakPolarHBondContact O-CA 3.36Å; T1231-T1247 WeakPolarHBondContact CB-OG1 3.38Å; T1231-T1247 PolarHBondContact N-OG1 3.19Å; T1231-T1247 PolarHBondContact O-N 2.9Å; T1231-T1247 PolarHBondContact OG1-OG1 3.33Å
1232	F	39.3	Very low	33.7	Very low	25 Å²	25	90.2 Å²	90.2	11%	0.11	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.3	168.8	-57.9	-101.3	0	0	0	108.2	M1184 Y1216 N1230 L1243 E1245 V1246	M1184-F1232 HydrophobicContact CE-CE1 3.77Å; M1184-F1232 HydrophobicContact CE-CZ 3.67Å; Y1216-F1232 AromaticContact CD1-CD2 3.92Å; Y1216-F1232 HydrophobicContact CD1-CD2 3.92Å; Y1216-F1232 PolarHBondContact N-O 2.96Å; Y1216-F1232 PolarHBondContact O-N 3.19Å; N1230-F1232 HydrophobicContact CB-CE2 4.39Å; F1232-L1243 HydrophobicContact CB-CD2 4.39Å; F1232-L1243 HydrophobicContact CD1-CD2 4.24Å; F1232-E1245 WeakPolarHBondContact CA-O 2.93Å; F1232-V1246 HydrophobicContact CD1-CG2 3.8Å; F1232-V1246 HydrophobicContact CE1-CG1 4.14Å; F1232-V1246 HydrophobicContact CE1-CG2 3.98Å
1233	I	40.1	Very low	34.3	Very low	20 Å²	20	87 Å²	87	10%	0.103	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.2	172.7	-58.5	-176.3	0	0	0	107.8	K1215 T1231 L1243 E1244 E1245	K1215-I1233 HydrophobicContact CG-CG1 4.2Å; T1231-I1233 HydrophobicContact CG2-CG1 4.43Å; I1233-L1243 WeakPolarHBondContact O-CA 2.94Å; I1233-E1244 HydrophobicContact CB-CB 4.17Å; I1233-E1244 HydrophobicContact CG2-CB 3.99Å; I1233-E1244 HydrophobicContact CG2-CG 4.36Å; I1233-E1244 PolarHBondContact O-N 2.91Å; I1233-E1245 HydrophobicContact CB-CB 4.42Å; I1233-E1245 HydrophobicContact CD1-CB 4.07Å; I1233-E1245 HydrophobicContact CD1-CG 4.24Å; I1233-E1245 VanDerWaalsContact CD1-OE2 3.28Å; I1233-E1245 WeakPolarHBondContact CD1-OE2 3.35Å; I1233-E1245 HydrophobicContact CG1-CB 4.18Å; I1233-E1245 PolarHBondContact N-O 3.42Å; I1233-E1245 VanDerWaalsContact N-O 3.17Å
1234	V	38.5	Very low	35.1	Very low	36 Å²	36	84.4 Å²	84.4	22%	0.218	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	115.7	-179.1	-175.7	0	0	0	0	109.6	L1214 I1241 I1242 L1243	L1214-V1234 PolarHBondContact N-O 3.21Å; L1214-V1234 PolarHBondContact O-N 2.67Å; V1234-I1241 HydrophobicContact CG1-CG2 3.52Å; V1234-I1242 WeakPolarHBondContact CA-O 3.46Å; V1234-L1243 HydrophobicContact CG2-CD2 3.87Å
1235	T	37.8	Very low	35.7	Very low	23 Å²	23	81 Å²	81	14%	0.141	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.3	171	44.6	0	0	0	0	110.9	I1242 E1244	T1235-I1242 PolarHBondContact N-O 3.18Å; T1235-I1242 PolarHBondContact O-N 2.91Å; T1235-E1244 WeakPolarHBondContact CB-OE1 3.33Å; T1235-E1244 VanDerWaalsContact CG2-CD 3.45Å; T1235-E1244 HydrophobicContact CG2-CG 4.31Å; T1235-E1244 WeakPolarHBondContact CG2-OE1 3.41Å; T1235-E1244 VanDerWaalsContact OG1-CD 3.24Å; T1235-E1244 WeakPolarHBondContact OG1-CG 3.2Å; T1235-E1244 PolarHBondContact OG1-OE1 3.31Å
1236	Y	36	Very low	36.3	Very low	103 Å²	103	75.9 Å²	75.9	40%	0.404	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	100	-176.4	-169.1	-87.6	0	0	0	109.7	I1198 I1241	I1198-Y1236 HydrophobicContact CD1-CE2 4.3Å; I1198-Y1236 HydrophobicContact CG2-CE2 4.19Å; I1198-Y1236 WeakPolarHBondContact CG2-OH 3.45Å; Y1236-I1241 HydrophobicContact CD2-CG1 4.02Å; Y1236-I1241 HydrophobicContact CE2-CG1 4.11Å
1237	D	36	Very low	37	Very low	88 Å²	88	69.9 Å²	69.9	47%	0.471	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	148.4	158.8	-179.3	11.4	0	0	0	107.3	I1239 K1240	D1237-I1239 PolarHBondContact O-N 3.34Å; D1237-K1240 PolarHBondContact N-O 3.17Å; D1237-K1240 CarbonylContact O-C 3.59Å; D1237-K1240 PolarHBondContact O-N 3.32Å
1238	H	33	Very low	37.5	Very low	165 Å²	165	68.9 Å²	68.9	76%	0.764	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	1.2	-168.9	-60.4	-83.6	0	0	0	115.5
1239	I	29.7	Very low	37.7	Very low	148 Å²	148	68 Å²	68	76%	0.759	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	-18.6	-176	-46.7	178.1	0	0	0	111.3	D1237	D1237-I1239 PolarHBondContact O-N 3.34Å
1240	K	30.8	Very low	37.8	Very low	136 Å²	136	66.3 Å²	66.3	59%	0.591	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.4	136.4	-170.1	-66.4	180	-174.4	169.3	0	113.1	D1237 I1242	D1237-K1240 PolarHBondContact N-O 3.17Å; D1237-K1240 CarbonylContact O-C 3.59Å; D1237-K1240 PolarHBondContact O-N 3.32Å; K1240-I1242 HydrophobicContact CB-CG1 4.32Å
1241	I	35.8	Very low	37.8	Very low	81 Å²	81	68.9 Å²	68.9	42%	0.415	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.1	160	-59.5	178.2	0	0	0	107.6	V1234 Y1236	V1234-I1241 HydrophobicContact CG1-CG2 3.52Å; Y1236-I1241 HydrophobicContact CD2-CG1 4.02Å; Y1236-I1241 HydrophobicContact CE2-CG1 4.11Å
1242	I	38.3	Very low	37.9	Very low	75 Å²	75	73.1 Å²	73.1	39%	0.385	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.2	176.7	-59	175.1	0	0	0	107.9	V1234 T1235 K1240 E1244	V1234-I1242 WeakPolarHBondContact CA-O 3.46Å; T1235-I1242 PolarHBondContact N-O 3.18Å; T1235-I1242 PolarHBondContact O-N 2.91Å; K1240-I1242 HydrophobicContact CB-CG1 4.32Å; I1242-E1244 HydrophobicContact CG2-CG 4.18Å
1243	L	40.4	Very low	37.8	Very low	61 Å²	61	77.8 Å²	77.8	32%	0.319	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.7	164.9	-83.3	156.2	0	0	0	107.3	F1232 I1233 V1234 L1255	F1232-L1243 HydrophobicContact CB-CD2 4.39Å; F1232-L1243 HydrophobicContact CD1-CD2 4.24Å; I1233-L1243 WeakPolarHBondContact O-CA 2.94Å; V1234-L1243 HydrophobicContact CG2-CD2 3.87Å; L1243-L1255 HydrophobicContact CB-CD1 3.47Å; L1243-L1255 VanDerWaalsContact CB-CD1 3.47Å; L1243-L1255 VanDerWaalsContact O-CD1 3.32Å; L1243-L1255 WeakPolarHBondContact O-CD1 3.39Å
1244	E	44.9	Very low	37.7	Very low	103 Å²	103	80.8 Å²	80.8	48%	0.481	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-43.5	-176.2	-60.9	-169	157.3	0	0	112.5	I1233 T1235 I1242	I1233-E1244 HydrophobicContact CB-CB 4.17Å; I1233-E1244 HydrophobicContact CG2-CB 3.99Å; I1233-E1244 HydrophobicContact CG2-CG 4.36Å; I1233-E1244 PolarHBondContact O-N 2.91Å; T1235-E1244 WeakPolarHBondContact CB-OE1 3.33Å; T1235-E1244 VanDerWaalsContact CG2-CD 3.45Å; T1235-E1244 HydrophobicContact CG2-CG 4.31Å; T1235-E1244 WeakPolarHBondContact CG2-OE1 3.41Å; T1235-E1244 VanDerWaalsContact OG1-CD 3.24Å; T1235-E1244 WeakPolarHBondContact OG1-CG 3.2Å; T1235-E1244 PolarHBondContact OG1-OE1 3.31Å; I1242-E1244 HydrophobicContact CG2-CG 4.18Å
1245	E	42.1	Very low	37.8	Very low	78 Å²	78	81.2 Å²	81.2	36%	0.364	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.8	175	-75.2	-172.1	149.3	0	0	110.7	F1232 I1233 L1252	F1232-E1245 WeakPolarHBondContact CA-O 2.93Å; I1233-E1245 HydrophobicContact CB-CB 4.42Å; I1233-E1245 HydrophobicContact CD1-CB 4.07Å; I1233-E1245 HydrophobicContact CD1-CG 4.24Å; I1233-E1245 VanDerWaalsContact CD1-OE2 3.28Å; I1233-E1245 WeakPolarHBondContact CD1-OE2 3.35Å; I1233-E1245 HydrophobicContact CG1-CB 4.18Å; I1233-E1245 PolarHBondContact N-O 3.42Å; I1233-E1245 VanDerWaalsContact N-O 3.17Å; E1245-L1252 HydrophobicContact CG-CD1 4.34Å; E1245-L1252 WeakPolarHBondContact OE1-CD1 3.29Å
1246	V	41.8	Very low	37.7	Very low	20 Å²	20	84.8 Å²	84.8	12%	0.121	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.9	161.9	169	0	0	0	0	107	T1231 F1232 V1248 F1253 L1255	T1231-V1246 WeakPolarHBondContact O-CA 3.36Å; F1232-V1246 HydrophobicContact CD1-CG2 3.8Å; F1232-V1246 HydrophobicContact CE1-CG1 4.14Å; F1232-V1246 HydrophobicContact CE1-CG2 3.98Å; V1246-V1248 HydrophobicContact CG1-CG2 3.91Å; V1246-F1253 HydrophobicContact CB-CB 4.21Å; V1246-F1253 HydrophobicContact CG1-CB 4.3Å; V1246-F1253 WeakPolarHBondContact O-CB 3.1Å; V1246-F1253 PolarHBondContact O-N 3.19Å; V1246-L1255 HydrophobicContact CG2-CD1 3.94Å; V1246-L1255 HydrophobicContact CG2-CD2 4.46Å; V1246-L1255 HydrophobicContact CG2-CG 4.41Å
1247	T	40.7	Very low	37.5	Very low	16 Å²	16	88.3 Å²	88.3	10%	0.098	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.1	161.7	57.4	0	0	0	0	110.8	H1229 N1230 T1231 S1251 L1252	H1229-T1247 PolarHBondContact O-OG1 3.45Å; N1230-T1247 VanDerWaalsContact CA-O 3.24Å; N1230-T1247 WeakPolarHBondContact CA-O 3.29Å; N1230-T1247 VanDerWaalsContact CB-O 3.3Å; N1230-T1247 WeakPolarHBondContact CB-O 3.4Å; T1231-T1247 WeakPolarHBondContact CB-OG1 3.38Å; T1231-T1247 PolarHBondContact N-OG1 3.19Å; T1231-T1247 PolarHBondContact O-N 2.9Å; T1231-T1247 PolarHBondContact OG1-OG1 3.33Å; T1247-S1251 VanDerWaalsContact CA-O 3.29Å; T1247-S1251 WeakPolarHBondContact CA-O 3.31Å; T1247-L1252 HydrophobicContact CG2-CD1 3.86Å
1248	V	42	Very low	37.3	Very low	60 Å²	60	87.6 Å²	87.6	36%	0.364	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.1	172.2	-176.7	0	0	0	0	107.6	N1230 V1246 G1250 S1251 F1253	N1230-V1248 WeakPolarHBondContact OD1-CA 3.31Å; V1246-V1248 HydrophobicContact CG1-CG2 3.91Å; V1248-G1250 PolarHBondContact O-N 3.37Å; V1248-S1251 PolarHBondContact N-O 3.42Å; V1248-S1251 WeakPolarHBondContact O-CB 3.2Å; V1248-S1251 PolarHBondContact O-N 2.83Å; V1248-F1253 HydrophobicContact CB-CD2 4.24Å; V1248-F1253 HydrophobicContact CB-CE2 4.14Å; V1248-F1253 HydrophobicContact CG2-CD2 4Å; V1248-F1253 HydrophobicContact CG2-CE2 4.14Å
1249	N	35.6	Very low	37.1	Very low	63 Å²	63	87.3 Å²	87.3	34%	0.337	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	35.4	-176.2	-65.6	-37.3	0	0	0	113.5	K1228 N1230 S1251	K1228-N1249 HydrophobicContact CD-CB 4.3Å; K1228-N1249 WeakPolarHBondContact CD-O 3.4Å; K1228-N1249 WeakPolarHBondContact CE-O 3.37Å; K1228-N1249 PolarHBondContact NZ-O 3.4Å; N1230-N1249 PolarHBondContact OD1-N 2.89Å; N1249-S1251 PolarHBondContact O-N 3.44Å
1250	G	37.3	Very low	37.2	Very low	49 Å²	49	85.5 Å²	85.5	51%	0.505	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	1.7	-175.5	0	0	0	0	0	115.7	H1229 V1248	H1229-G1250 PolarHBondContact O-N 3.43Å; V1248-G1250 PolarHBondContact O-N 3.37Å
1251	S	36.5	Very low	37.1	Very low	68 Å²	68	85.5 Å²	85.5	48%	0.476	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	125.9	172.5	-63.2	0	0	0	0	110.2	T1247 V1248 N1249 F1253	T1247-S1251 VanDerWaalsContact CA-O 3.29Å; T1247-S1251 WeakPolarHBondContact CA-O 3.31Å; V1248-S1251 PolarHBondContact N-O 3.42Å; V1248-S1251 WeakPolarHBondContact O-CB 3.2Å; V1248-S1251 PolarHBondContact O-N 2.83Å; N1249-S1251 PolarHBondContact O-N 3.44Å; S1251-F1253 PolarHBondContact O-N 2.82Å
1252	L	39.4	Very low	36.9	Very low	117 Å²	117	90.5 Å²	90.5	61%	0.613	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	120.8	177.6	-158.8	89.3	0	0	0	110.5	E1245 T1247	E1245-L1252 HydrophobicContact CG-CD1 4.34Å; E1245-L1252 WeakPolarHBondContact OE1-CD1 3.29Å; T1247-L1252 HydrophobicContact CG2-CD1 3.86Å
1253	F	38	Very low	36.4	Very low	124 Å²	124	89 Å²	89	54%	0.544	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116	169	-93.5	-92.5	0	0	0	109.6	V1246 V1248 S1251 L1255	V1246-F1253 HydrophobicContact CB-CB 4.21Å; V1246-F1253 HydrophobicContact CG1-CB 4.3Å; V1246-F1253 WeakPolarHBondContact O-CB 3.1Å; V1246-F1253 PolarHBondContact O-N 3.19Å; V1248-F1253 HydrophobicContact CB-CD2 4.24Å; V1248-F1253 HydrophobicContact CB-CE2 4.14Å; V1248-F1253 HydrophobicContact CG2-CD2 4Å; V1248-F1253 HydrophobicContact CG2-CE2 4.14Å; S1251-F1253 PolarHBondContact O-N 2.82Å; F1253-L1255 PolarHBondContact O-N 2.96Å
1254	S	37.6	Very low	35.8	Very low	83 Å²	83	89.7 Å²	89.7	58%	0.58	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-69.7	121.3	167.1	-172.9	0	0	0	0	109.5	S1256	S1254-S1256 PolarHBondContact O-N 3.09Å; S1254-S1256 WeakPolarHBondContact OG-CB 3.4Å; S1254-S1256 PolarHBondContact OG-OG 3.08Å
1255	L	39.8	Very low	35	Very low	45 Å²	45	91.5 Å²	91.5	24%	0.236	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-79.5	2	176.6	-79.6	161.3	0	0	0	113.8	L1243 V1246 F1253 E1257 C1258	L1243-L1255 HydrophobicContact CB-CD1 3.47Å; L1243-L1255 VanDerWaalsContact CB-CD1 3.47Å; L1243-L1255 VanDerWaalsContact O-CD1 3.32Å; L1243-L1255 WeakPolarHBondContact O-CD1 3.39Å; V1246-L1255 HydrophobicContact CG2-CD1 3.94Å; V1246-L1255 HydrophobicContact CG2-CD2 4.46Å; V1246-L1255 HydrophobicContact CG2-CG 4.41Å; F1253-L1255 PolarHBondContact O-N 2.96Å; L1255-E1257 PolarHBondContact O-N 3.09Å; L1255-C1258 HydrophobicContact CD2-CB 4.23Å; L1255-C1258 PolarHBondContact O-N 3.38Å
1256	S	34.9	Very low	34.3	Very low	97 Å²	97	91.5 Å²	91.5	68%	0.678	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-59.7	-10.5	-179.6	57.2	0	0	0	0	115.4	S1254	S1254-S1256 PolarHBondContact O-N 3.09Å; S1254-S1256 WeakPolarHBondContact OG-CB 3.4Å; S1254-S1256 PolarHBondContact OG-OG 3.08Å
1257	E	33.1	Very low	33.7	Very low	177 Å²	177	94.5 Å²	94.5	83%	0.827	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-121.7	4	-174.5	-59.1	-173	163.9	0	0	114.2	L1255	L1255-E1257 PolarHBondContact O-N 3.09Å
1258	C	30.4	Very low	33.1	Very low	74 Å²	74	100.2 Å²	100.2	50%	0.5	55%	0.55	S	S	.	.			trans	-110.6	94.6	-169.3	-87.3	0	0	0	0	114.6	L1255 I1260	L1255-C1258 HydrophobicContact CD2-CB 4.23Å; L1255-C1258 PolarHBondContact O-N 3.38Å; C1258-I1260 HydrophobicContact CB-CD1 3.96Å; C1258-I1260 HydrophobicContact CB-CG1 4.13Å; C1258-I1260 PolarHBondContact O-N 3.37Å
1259	D	30.4	Very low	32.5	Very low	158 Å²	158	103.7 Å²	103.7	85%	0.845	56%	0.562	S	S	*	*			trans	-71.3	59.3	173.4	-97.4	-29.2	0	0	0	113.7	L1261	D1259-L1261 PolarHBondContact O-N 2.92Å
1260	I	31.7	Very low	32.2	Very low	111 Å²	111	106.3 Å²	106.3	57%	0.569	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-13.2	-178	-67.5	169	0	0	0	112.6	C1258 Y1262	C1258-I1260 HydrophobicContact CB-CD1 3.96Å; C1258-I1260 HydrophobicContact CB-CG1 4.13Å; C1258-I1260 PolarHBondContact O-N 3.37Å; I1260-Y1262 VanDerWaalsContact C-N 3.29Å; I1260-Y1262 PolarHBondContact O-N 3.26Å; I1260-Y1262 VanDerWaalsContact O-N 3.13Å
1261	L	28.5	Very low	31.7	Very low	135 Å²	135	111 Å²	111	71%	0.707	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-12.4	-169.8	-92.3	151.5	0	0	0	116.7	D1259	D1259-L1261 PolarHBondContact O-N 2.92Å
1262	Y	30.5	Very low	31.2	Very low	186 Å²	186	115.9 Å²	115.9	73%	0.729	60%	0.602	S	S	*	*	H	α-helix	trans	-76.8	-28.6	-176.9	-119.7	-85.5	0	0	0	114.3	I1260 I1264	I1260-Y1262 VanDerWaalsContact C-N 3.29Å; I1260-Y1262 PolarHBondContact O-N 3.26Å; I1260-Y1262 VanDerWaalsContact O-N 3.13Å; Y1262-I1264 VanDerWaalsContact C-N 3.33Å; Y1262-I1264 PolarHBondContact O-N 3.27Å
1263	G	28.8	Very low	30.5	Very low	43 Å²	43	117.6 Å²	117.6	44%	0.443	61%	0.605	S	S	.	*	H	α-helix	trans	-68.5	-28.1	-176	0	0	0	0	0	114.5
1264	I	27.7	Very low	29.9	Very low	76 Å²	76	117.6 Å²	117.6	39%	0.39	62%	0.62	S	S	.	*	H	α-helix	trans	-82	-34	-174.6	-61.9	176.1	0	0	0	111.4	Y1262 C1266 I1267	Y1262-I1264 VanDerWaalsContact C-N 3.33Å; Y1262-I1264 PolarHBondContact O-N 3.27Å; I1264-C1266 PolarHBondContact O-N 2.89Å; I1264-I1267 PolarHBondContact O-N 3.48Å
1265	K	27.3	Very low	29.3	Very low	142 Å²	142	122.2 Å²	122.2	62%	0.617	64%	0.635	S	S	*	*	H	α-helix	trans	-62.8	-36.7	178.1	-89.8	-176.8	172.5	177.7	0	113.5	I1267 Q1268	K1265-I1267 PolarHBondContact O-N 3.22Å; K1265-Q1268 PolarHBondContact O-N 3.32Å
1266	C	28.8	Very low	28.6	Very low	77 Å²	77	126.1 Å²	126.1	52%	0.52	66%	0.662	S	S	.	*	H	α-helix	trans	-65.5	-23.2	179.4	-67.1	0	0	0	0	113.4	I1264	I1264-C1266 PolarHBondContact O-N 2.89Å
1267	I	28.6	Very low	28.2	Very low	84 Å²	84	127.7 Å²	127.7	43%	0.431	67%	0.668	S	S	.	*	H	α-helix	trans	-78.5	-36.6	179.3	-62.1	177.4	0	0	0	110.9	V1192 I1264 K1265 Q1269 T1270	V1192-I1267 HydrophobicContact CG1-CG2 4.18Å; V1192-I1267 HydrophobicContact CG2-CD1 3.79Å; I1264-I1267 PolarHBondContact O-N 3.48Å; K1265-I1267 PolarHBondContact O-N 3.22Å; I1267-Q1269 PolarHBondContact O-N 3.3Å; I1267-T1270 PolarHBondContact O-N 3.18Å; I1267-T1270 PolarHBondContact O-OG1 2.71Å
1268	Q	28.1	Very low	27.7	Very low	136 Å²	136	126.4 Å²	126.4	64%	0.636	67%	0.667	S	S	*	*	H	α-helix	trans	-66.5	-34.2	178.4	-76.7	-179.8	-32.9	0	0	113.1	K1265 T1270	K1265-Q1268 PolarHBondContact O-N 3.32Å; Q1268-T1270 VanDerWaalsContact C-N 3.27Å; Q1268-T1270 PolarHBondContact O-N 3.4Å
1269	Q	28.6	Very low	27.5	Very low	132 Å²	132	130.6 Å²	130.6	62%	0.617	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-71.4	-15.2	-179.1	-70.5	-176.3	-19.2	0	0	114.5	I1267 K1271	I1267-Q1269 PolarHBondContact O-N 3.3Å; Q1269-K1271 VanDerWaalsContact C-N 3.34Å; Q1269-K1271 PolarHBondContact O-N 3.15Å
1270	T	28.9	Very low	27.3	Very low	118 Å²	118	129.5 Å²	129.5	72%	0.724	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-83	-4.4	-179.6	60.9	0	0	0	0	114.8	I1267 Q1268	I1267-T1270 PolarHBondContact O-N 3.18Å; I1267-T1270 PolarHBondContact O-OG1 2.71Å; Q1268-T1270 VanDerWaalsContact C-N 3.27Å; Q1268-T1270 PolarHBondContact O-N 3.4Å
1271	K	27.1	Very low	26.9	Very low	149 Å²	149	133.2 Å²	133.2	65%	0.648	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-101.7	-3.2	179.8	-86.2	-166.6	167	-160.4	0	115.2	Q1269	Q1269-K1271 VanDerWaalsContact C-N 3.34Å; Q1269-K1271 PolarHBondContact O-N 3.15Å
1272	Q	26.4	Very low	26.7	Very low	170 Å²	170	132.9 Å²	132.9	79%	0.794	70%	0.702	S	S	*	*	S	Bend	trans	-121.6	76.4	-178.5	-72.1	-173.2	-10	0	0	113
1273	K	25.7	Very low	26.3	Very low	153 Å²	153	131.1 Å²	131.1	67%	0.665	71%	0.705	S	S	*	*			trans	179.4	106.5	149.1	-102.7	161.4	-176.6	-179.9	0	109.1	N17	N17-K1273 PolarHBondContact ND2-NZ 3.31Å; N17-K1273 PolarHBondContact OD1-NZ 2.62Å
1274	S	24	Very low	26.1	Very low	123 Å²	123	133.9 Å²	133.9	86%	0.86	71%	0.71	S	S	*	*			trans	-68.2	140.4	160.5	39.3	0	0	0	0	109.1
1275	M	25.9	Very low	26.1	Very low	181 Å²	181	137.6 Å²	137.6	89%	0.892	73%	0.729	S	S	*	*			trans	-129.2	142.8	170.4	-109.2	-173	163.8	0	0	110.4
1276	P	25.6	Very low	26.1	Very low	126 Å²	126	135.1 Å²	135.1	82%	0.818	74%	0.735	S	S	*	*			trans	-81.2	152.1	-173.7	-4.4	23.3	0	0	0	112
1277	T	25.4	Very low	26.1	Very low	131 Å²	131	139.8 Å²	139.8	80%	0.804	75%	0.747	S	S	*	*			trans	-79.3	116.6	170.7	48	0	0	0	0	111
1278	D	24	Very low	26.4	Very low	149 Å²	149	139.8 Å²	139.8	80%	0.797	75%	0.748	S	S	*	*			trans	-168.6	139.4	144.7	-96.8	-26.8	0	0	0	110.4
1279	N	25.4	Very low	26.5	Very low	162 Å²	162	137.1 Å²	137.1	87%	0.866	74%	0.742	S	S	*	*			trans	55.8	79.7	173.6	-63.4	-30.4	0	0	0	118.1
1280	V	25.8	Very low	26.8	Very low	135 Å²	135	137.6 Å²	137.6	82%	0.818	74%	0.742	S	S	*	*			trans	-125.2	106.4	155.9	179.7	0	0	0	0	110
1281	Q	24.8	Very low	27.2	Very low	189 Å²	189	136.6 Å²	136.6	88%	0.883	73%	0.729	S	S	*	*			trans	-66.4	137.3	160.8	-74.9	-177.6	-22.6	0	0	109	N1283	Q1281-N1283 PolarHBondContact O-N 3.2Å; Q1281-N1283 VanDerWaalsContact O-N 3.07Å
1282	T	22.9	Very low	27.8	Very low	128 Å²	128	137 Å²	137	79%	0.785	73%	0.727	S	S	*	*	S	Bend	trans	-60.8	107.4	-178.1	49.2	0	0	0	0	112.3
1283	N	23.6	Very low	28.2	Very low	149 Å²	149	132 Å²	132	80%	0.797	70%	0.703	S	S	*	*			trans	-177.9	159.3	144.2	-89.6	-40.3	0	0	0	110.8	Q1281	Q1281-N1283 PolarHBondContact O-N 3.2Å; Q1281-N1283 VanDerWaalsContact O-N 3.07Å
1284	D	24.3	Very low	29	Very low	101 Å²	101	127.2 Å²	127.2	54%	0.54	68%	0.684	S	S	.	*	S	Bend	trans	80.8	107.8	174	-67.5	-3.2	0	0	0	119.5	R155	R155-D1284 IonicContact CZ-OD2 2.71Å; R155-D1284 IonicContact NH1-OD2 3.7Å; R155-D1284 PolarHBondContact NH1-OD2 3.04Å; R155-D1284 IonicContact NH2-OD2 3.59Å; R155-D1284 PolarHBondContact NH2-OD2 3.27Å
1285	I	26	Very low	29.7	Very low	155 Å²	155	126.4 Å²	126.4	80%	0.795	67%	0.666	S	S	*	*			trans	76.2	98.6	141.7	-50.4	161.6	0	0	0	118.6
1286	A	27.5	Very low	30.4	Very low	90 Å²	90	120.4 Å²	120.4	74%	0.744	64%	0.64	S	S	*	*			trans	-95.5	134.8	156.3	0	0	0	0	0	110.8	N1288	A1286-N1288 PolarHBondContact O-N 3Å
1287	F	30.3	Very low	31	Very low	175 Å²	175	116.7 Å²	116.7	77%	0.768	62%	0.617	S	S	*	*			trans	-51.4	119.6	171.3	178.1	-94.6	0	0	0	111	P1289	F1287-P1289 HydrophobicContact CE1-CB 4.16Å; F1287-P1289 WeakPolarHBondContact O-CD 3.21Å
1288	N	34.3	Very low	31.6	Very low	84 Å²	84	116.7 Å²	116.7	45%	0.449	61%	0.612	S	S	.	*			trans	-99.9	97.6	-179.9	-174.2	7.6	0	0	0	110.7	A1286 F1290 Q1291	A1286-N1288 PolarHBondContact O-N 3Å; N1288-F1290 PolarHBondContact O-N 3.15Å; N1288-F1290 VanDerWaalsContact O-N 3.11Å; N1288-F1290 WeakPolarHBondContact OD1-CB 3.2Å; N1288-F1290 PolarHBondContact OD1-N 3.13Å; N1288-F1290 VanDerWaalsContact OD1-N 3.16Å; N1288-Q1291 HydrophobicContact CB-CB 4.23Å; N1288-Q1291 WeakPolarHBondContact O-CB 3.48Å; N1288-Q1291 PolarHBondContact O-N 3.19Å
1289	P	30.4	Very low	32.4	Very low	80 Å²	80	117.5 Å²	117.5	52%	0.519	61%	0.608	S	S	.	*	H	α-helix	trans	-61.3	-21.5	178.9	25.2	-34.2	0	0	0	113	F1287 Q1291 F1293	F1287-P1289 HydrophobicContact CE1-CB 4.16Å; F1287-P1289 WeakPolarHBondContact O-CD 3.21Å; P1289-Q1291 VanDerWaalsContact C-N 3.29Å; P1289-Q1291 PolarHBondContact O-N 2.77Å; P1289-F1293 WeakPolarHBondContact O-CB 3.03Å; P1289-F1293 PolarHBondContact O-N 3.44Å; P1289-F1293 VanDerWaalsContact O-N 3.1Å
1290	F	34.7	Very low	32.8	Very low	142 Å²	142	115.1 Å²	115.1	62%	0.623	60%	0.595	S	S	*	*	H	α-helix	trans	-66.5	-30.5	174.5	-131	-91.3	0	0	0	112.4	N1288 I1294	N1288-F1290 PolarHBondContact O-N 3.15Å; N1288-F1290 VanDerWaalsContact O-N 3.11Å; N1288-F1290 WeakPolarHBondContact OD1-CB 3.2Å; N1288-F1290 PolarHBondContact OD1-N 3.13Å; N1288-F1290 VanDerWaalsContact OD1-N 3.16Å; F1290-I1294 HydrophobicContact CD1-CD1 4.16Å; F1290-I1294 VanDerWaalsContact O-CG1 3.3Å; F1290-I1294 WeakPolarHBondContact O-CG1 3.48Å; F1290-I1294 PolarHBondContact O-N 3.34Å
1291	Q	37.1	Very low	33.2	Very low	96 Å²	96	115.6 Å²	115.6	45%	0.449	59%	0.593	S	S	.	*	H	α-helix	trans	-77	-40.6	-179.9	-167.7	135.1	-6.3	0	0	111.8	N1288 P1289 F1293 I1294 E1295	N1288-Q1291 HydrophobicContact CB-CB 4.23Å; N1288-Q1291 WeakPolarHBondContact O-CB 3.48Å; N1288-Q1291 PolarHBondContact O-N 3.19Å; P1289-Q1291 VanDerWaalsContact C-N 3.29Å; P1289-Q1291 PolarHBondContact O-N 2.77Å; Q1291-F1293 VanDerWaalsContact C-N 3.31Å; Q1291-F1293 PolarHBondContact O-N 3.19Å; Q1291-I1294 PolarHBondContact O-N 2.86Å; Q1291-E1295 WeakPolarHBondContact O-CG 3.1Å; Q1291-E1295 PolarHBondContact O-N 3.31Å
1292	W	39.1	Very low	33.8	Very low	157 Å²	157	113.4 Å²	113.4	60%	0.595	59%	0.587	S	S	*	*	H	α-helix	trans	-62.3	-38.7	171.4	178.3	83.6	0	0	0	111.9	E1295 T1296	W1292-E1295 PolarHBondContact O-N 2.85Å; W1292-T1296 WeakPolarHBondContact O-CB 3.3Å; W1292-T1296 PolarHBondContact O-N 3.15Å; W1292-T1296 PolarHBondContact O-OG1 2.9Å
1293	F	36.4	Very low	34.2	Very low	66 Å²	66	116.7 Å²	116.7	29%	0.289	59%	0.594	S	S	.	*	H	α-helix	trans	-60.5	-49.7	173.3	-177.7	-108.8	0	0	0	111.8	P1289 Q1291 E1295 T1296 C1297 W1311	P1289-F1293 WeakPolarHBondContact O-CB 3.03Å; P1289-F1293 PolarHBondContact O-N 3.44Å; P1289-F1293 VanDerWaalsContact O-N 3.1Å; Q1291-F1293 VanDerWaalsContact C-N 3.31Å; Q1291-F1293 PolarHBondContact O-N 3.19Å; F1293-E1295 PolarHBondContact O-N 2.78Å; F1293-T1296 WeakPolarHBondContact O-CB 3.1Å; F1293-T1296 PolarHBondContact O-N 3.01Å; F1293-T1296 VanDerWaalsContact O-N 3.08Å; F1293-C1297 PolarHBondContact O-N 3.06Å; F1293-C1297 PolarHBondContact O-SG 3.27Å; F1293-C1297 VanDerWaalsContact O-SG 3.36Å; F1293-W1311 HydrophobicContact CD2-CE3 4.11Å; F1293-W1311 HydrophobicContact CD2-CZ3 4.07Å; F1293-W1311 HydrophobicContact CE2-CD2 4.15Å; F1293-W1311 AromaticContact CE2-CE3 3.29Å; F1293-W1311 HydrophobicContact CE2-CE3 3.29Å; F1293-W1311 AromaticContact CE2-CZ3 3.67Å; F1293-W1311 HydrophobicContact CE2-CZ3 3.67Å; F1293-W1311 HydrophobicContact CZ-CB 4.17Å; F1293-W1311 HydrophobicContact CZ-CD2 4.43Å; F1293-W1311 AromaticContact CZ-CE3 3.74Å; F1293-W1311 HydrophobicContact CZ-CE3 3.74Å; F1293-W1311 HydrophobicContact CZ-CZ3 4.5Å
1294	I	40.9	Very low	34.8	Very low	52 Å²	52	110.9 Å²	110.9	27%	0.267	57%	0.566	S	S	.	*	H	α-helix	trans	-59.4	-44.1	176	-70.9	166.7	0	0	0	111.9	F1290 Q1291 T1296 C1297 N1298	F1290-I1294 HydrophobicContact CD1-CD1 4.16Å; F1290-I1294 VanDerWaalsContact O-CG1 3.3Å; F1290-I1294 WeakPolarHBondContact O-CG1 3.48Å; F1290-I1294 PolarHBondContact O-N 3.34Å; Q1291-I1294 PolarHBondContact O-N 2.86Å; I1294-T1296 PolarHBondContact O-N 3.02Å; I1294-C1297 PolarHBondContact O-N 3.02Å; I1294-N1298 WeakPolarHBondContact O-CB 3.29Å; I1294-N1298 PolarHBondContact O-N 3.29Å; I1294-N1298 PolarHBondContact O-ND2 3.22Å
1295	E	40.4	Very low	35	Very low	106 Å²	106	113.1 Å²	113.1	50%	0.495	57%	0.573	S	S	.	*	H	α-helix	trans	-66.3	-20	176.6	-74.3	-178.5	-169.3	0	0	114.1	Q1291 W1292 F1293	Q1291-E1295 WeakPolarHBondContact O-CG 3.1Å; Q1291-E1295 PolarHBondContact O-N 3.31Å; W1292-E1295 PolarHBondContact O-N 2.85Å; F1293-E1295 PolarHBondContact O-N 2.78Å
1296	T	39.1	Very low	35.1	Very low	55 Å²	55	109 Å²	109	34%	0.337	57%	0.569	S	S	.	*	H	α-helix	trans	-87.2	-42.8	175.8	-57.2	0	0	0	0	110.8	W1292 F1293 I1294 N1298 K1299	W1292-T1296 WeakPolarHBondContact O-CB 3.3Å; W1292-T1296 PolarHBondContact O-N 3.15Å; W1292-T1296 PolarHBondContact O-OG1 2.9Å; F1293-T1296 WeakPolarHBondContact O-CB 3.1Å; F1293-T1296 PolarHBondContact O-N 3.01Å; F1293-T1296 VanDerWaalsContact O-N 3.08Å; I1294-T1296 PolarHBondContact O-N 3.02Å; T1296-N1298 VanDerWaalsContact C-N 3.28Å; T1296-N1298 PolarHBondContact O-N 2.91Å; T1296-K1299 PolarHBondContact O-N 3.49Å
1297	C	37.6	Very low	35.2	Very low	49 Å²	49	111 Å²	111	33%	0.331	57%	0.566	S	S	.	*	H	α-helix	trans	-60.2	-36.9	172.7	-66.6	0	0	0	0	112.3	F1293 I1294 K1299 L1300	F1293-C1297 PolarHBondContact O-N 3.06Å; F1293-C1297 PolarHBondContact O-SG 3.27Å; F1293-C1297 VanDerWaalsContact O-SG 3.36Å; I1294-C1297 PolarHBondContact O-N 3.02Å; C1297-K1299 PolarHBondContact O-N 3.37Å; C1297-K1299 VanDerWaalsContact O-N 3.08Å; C1297-L1300 PolarHBondContact O-N 3.43Å
1298	N	39.8	Very low	35.1	Very low	130 Å²	130	106.6 Å²	106.6	70%	0.695	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	2.5	177.8	-70.8	-21.1	0	0	0	115	I1294 T1296	I1294-N1298 WeakPolarHBondContact O-CB 3.29Å; I1294-N1298 PolarHBondContact O-N 3.29Å; I1294-N1298 PolarHBondContact O-ND2 3.22Å; T1296-N1298 VanDerWaalsContact C-N 3.28Å; T1296-N1298 PolarHBondContact O-N 2.91Å
1299	K	39.8	Very low	34.8	Very low	167 Å²	167	113 Å²	113	73%	0.726	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	-1.7	-179.9	-72.9	176.9	-177.3	167.4	0	114.5	T1296 C1297	T1296-K1299 PolarHBondContact O-N 3.49Å; C1297-K1299 PolarHBondContact O-N 3.37Å; C1297-K1299 VanDerWaalsContact O-N 3.08Å
1300	L	34.6	Very low	34.6	Very low	112 Å²	112	116.2 Å²	116.2	59%	0.586	58%	0.577	S	S	*	*	S	Bend	trans	-99.5	124.2	-177.6	-67.8	166.1	0	0	0	109.7	C1297 A1304	C1297-L1300 PolarHBondContact O-N 3.43Å; L1300-A1304 HydrophobicContact CB-CB 4.21Å
1301	N	33.7	Very low	34.3	Very low	144 Å²	144	116.3 Å²	116.3	77%	0.77	57%	0.573	S	S	*	*			trans	-66.3	166.3	-178.7	-86.7	-1.9	0	0	0	113.1	E1303 A1304	N1301-E1303 PolarHBondContact O-N 3.43Å; N1301-A1304 PolarHBondContact O-N 2.67Å; N1301-A1304 VanDerWaalsContact O-N 3.09Å
1302	D	36.6	Very low	33.7	Very low	143 Å²	143	116.3 Å²	116.3	77%	0.765	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-55.7	-17.5	-168.3	-64.2	-59	0	0	0	116.9	A1304 Q1305	D1302-A1304 PolarHBondContact O-N 3.24Å; D1302-A1304 VanDerWaalsContact C-N 3.33Å; D1302-Q1305 WeakPolarHBondContact O-CG 3.42Å
1303	E	32.2	Very low	33	Very low	198 Å²	198	120.4 Å²	120.4	93%	0.925	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-78.5	-12.3	178.2	-65.6	-177.1	143.8	0	0	113.7	N1301 Q1305	N1301-E1303 PolarHBondContact O-N 3.43Å; E1303-Q1305 VanDerWaalsContact C-N 3.25Å; E1303-Q1305 PolarHBondContact O-N 3.47Å
1304	A	35.2	Very low	32.8	Very low	27 Å²	27	123.1 Å²	123.1	22%	0.223	62%	0.622	C	S	.	*	G	3₁₀ helix	trans	-79.7	7.8	-176.3	0	0	0	0	0	115.4	L1300 N1301 D1302 G1306 I1307	L1300-A1304 HydrophobicContact CB-CB 4.21Å; N1301-A1304 PolarHBondContact O-N 2.67Å; N1301-A1304 VanDerWaalsContact O-N 3.09Å; D1302-A1304 PolarHBondContact O-N 3.24Å; D1302-A1304 VanDerWaalsContact C-N 3.33Å; A1304-G1306 PolarHBondContact O-N 3.5Å; A1304-G1306 VanDerWaalsContact O-N 3.08Å; A1304-I1307 PolarHBondContact O-N 3.43Å
1305	Q	28.5	Very low	32.4	Very low	148 Å²	148	126.8 Å²	126.8	69%	0.692	64%	0.64	S	S	*	*	H	α-helix	trans	-56.8	-29.2	-171.5	-72.2	-177	13.3	0	0	114.5	D1302 E1303 I1307	D1302-Q1305 WeakPolarHBondContact O-CG 3.42Å; E1303-Q1305 VanDerWaalsContact C-N 3.25Å; E1303-Q1305 PolarHBondContact O-N 3.47Å; Q1305-I1307 PolarHBondContact O-N 3.23Å
1306	G	27.9	Very low	31.9	Very low	67 Å²	67	128 Å²	128	69%	0.691	65%	0.648	S	S	*	*	H	α-helix	trans	-67.5	-28.1	177.7	0	0	0	0	0	114.9	A1304	A1304-G1306 PolarHBondContact O-N 3.5Å; A1304-G1306 VanDerWaalsContact O-N 3.08Å
1307	I	29.7	Very low	31.5	Very low	134 Å²	134	132.3 Å²	132.3	69%	0.687	67%	0.667	S	S	*	*	H	α-helix	trans	-88.4	-34	-177.6	-62.4	175.2	0	0	0	110.9	A1304 Q1305 W1309 F1310	A1304-I1307 PolarHBondContact O-N 3.43Å; Q1305-I1307 PolarHBondContact O-N 3.23Å; I1307-W1309 VanDerWaalsContact C-N 3.26Å; I1307-W1309 PolarHBondContact O-N 3.07Å; I1307-F1310 PolarHBondContact O-N 2.69Å
1308	V	29.2	Very low	31.1	Very low	82 Å²	82	137.5 Å²	137.5	50%	0.497	69%	0.688	S	S	.	*	H	α-helix	trans	-64.8	-28.5	-178.3	178.3	0	0	0	0	112.5	F1310	V1308-F1310 PolarHBondContact O-N 3.3Å
1309	W	28	Very low	30.6	Very low	219 Å²	219	138 Å²	138	83%	0.83	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-15.6	179.5	-132.3	61.2	0	0	0	114.3	I1307	I1307-W1309 VanDerWaalsContact C-N 3.26Å; I1307-W1309 PolarHBondContact O-N 3.07Å
1310	F	26.6	Very low	29.9	Very low	147 Å²	147	135.9 Å²	135.9	65%	0.645	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-5.9	-173	-132.8	-87	0	0	0	114.8	P1183 I1307 V1308	P1183-F1310 HydrophobicContact CB-CD1 4.29Å; P1183-F1310 HydrophobicContact CB-CE1 4.2Å; I1307-F1310 PolarHBondContact O-N 2.69Å; V1308-F1310 PolarHBondContact O-N 3.3Å
1311	W	28.2	Very low	29.5	Very low	143 Å²	143	137.8 Å²	137.8	54%	0.542	69%	0.692	S	S	.	*	S	Bend	trans	-115.2	2	-177.2	-89.8	59.2	0	0	0	114.4	F1293	F1293-W1311 HydrophobicContact CD2-CE3 4.11Å; F1293-W1311 HydrophobicContact CD2-CZ3 4.07Å; F1293-W1311 HydrophobicContact CE2-CD2 4.15Å; F1293-W1311 AromaticContact CE2-CE3 3.29Å; F1293-W1311 HydrophobicContact CE2-CE3 3.29Å; F1293-W1311 AromaticContact CE2-CZ3 3.67Å; F1293-W1311 HydrophobicContact CE2-CZ3 3.67Å; F1293-W1311 HydrophobicContact CZ-CB 4.17Å; F1293-W1311 HydrophobicContact CZ-CD2 4.43Å; F1293-W1311 AromaticContact CZ-CE3 3.74Å; F1293-W1311 HydrophobicContact CZ-CE3 3.74Å; F1293-W1311 HydrophobicContact CZ-CZ3 4.5Å
1312	S	23.7	Very low	29.2	Very low	97 Å²	97	137.3 Å²	137.3	68%	0.678	69%	0.685	S	S	*	*			trans	-107.3	12.9	-176.4	61.5	0	0	0	0	115
1313	K	24.4	Very low	28.5	Very low	242 Å²	242	136.7 Å²	136.7	100%	1.052	68%	0.678	S	S	*	*			trans	-123.2	0	179.4	-116.3	-171.8	-179.6	-176.5	0	112.8

Retrieved 1,313 of 1,313 residues in 2292.6 ms (Link to these results)

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